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a/src/distrib/sample/SaddleCos.3DS b/sample/SaddleCos.3DS similarity index 100% rename from src/distrib/sample/SaddleCos.3DS rename to sample/SaddleCos.3DS diff --git a/src/distrib/sample/Seymour_triangulate.dae b/sample/Seymour_triangulate.dae similarity index 100% rename from src/distrib/sample/Seymour_triangulate.dae rename to sample/Seymour_triangulate.dae diff --git a/src/distrib/sample/T.ply b/sample/T.ply similarity index 100% rename from src/distrib/sample/T.ply rename to sample/T.ply diff --git a/src/distrib/sample/TextureDouble.ply b/sample/TextureDouble.ply similarity index 100% rename from src/distrib/sample/TextureDouble.ply rename to sample/TextureDouble.ply diff --git a/src/distrib/sample/TextureDouble_A.png b/sample/TextureDouble_A.png similarity index 100% rename from src/distrib/sample/TextureDouble_A.png rename to sample/TextureDouble_A.png diff --git a/src/distrib/sample/TextureDouble_B.png b/sample/TextureDouble_B.png similarity index 100% rename from src/distrib/sample/TextureDouble_B.png rename to sample/TextureDouble_B.png diff --git a/src/distrib/sample/block.off b/sample/block.off similarity index 100% rename from src/distrib/sample/block.off rename to sample/block.off diff --git a/src/distrib/sample/brain.ply b/sample/brain.ply similarity index 100% rename from src/distrib/sample/brain.ply rename to sample/brain.ply diff --git a/src/distrib/sample/bunny10k.obj b/sample/bunny10k.obj similarity index 100% rename from src/distrib/sample/bunny10k.obj rename to sample/bunny10k.obj diff --git a/src/distrib/sample/bunny10k.ply b/sample/bunny10k.ply similarity index 100% rename from src/distrib/sample/bunny10k.ply rename to sample/bunny10k.ply diff --git a/src/distrib/sample/bunny10k_textured.3ds b/sample/bunny10k_textured.3ds similarity index 100% rename from src/distrib/sample/bunny10k_textured.3ds rename to sample/bunny10k_textured.3ds diff --git a/src/distrib/sample/bunny10k_textured.mtl b/sample/bunny10k_textured.mtl similarity 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b/sample/chameleon4k.pts similarity index 100% rename from src/distrib/sample/chameleon4k.pts rename to sample/chameleon4k.pts diff --git a/src/distrib/sample/conrod.stl b/sample/conrod.stl similarity index 100% rename from src/distrib/sample/conrod.stl rename to sample/conrod.stl diff --git a/src/distrib/sample/cube_triangulate.dae b/sample/cube_triangulate.dae similarity index 100% rename from src/distrib/sample/cube_triangulate.dae rename to sample/cube_triangulate.dae diff --git a/src/distrib/sample/duck_triangulate.dae b/sample/duck_triangulate.dae similarity index 100% rename from src/distrib/sample/duck_triangulate.dae rename to sample/duck_triangulate.dae diff --git a/src/distrib/sample/elephant.ply b/sample/elephant.ply similarity index 100% rename from src/distrib/sample/elephant.ply rename to sample/elephant.ply diff --git a/src/distrib/sample/greek_helmet.obj b/sample/greek_helmet.obj similarity index 100% rename from src/distrib/sample/greek_helmet.obj rename to sample/greek_helmet.obj diff --git a/src/distrib/sample/hippo.ply b/sample/hippo.ply similarity index 100% rename from src/distrib/sample/hippo.ply rename to sample/hippo.ply diff --git a/src/distrib/sample/images/boy_10.jpg b/sample/images/boy_10.jpg similarity index 100% rename from src/distrib/sample/images/boy_10.jpg rename to sample/images/boy_10.jpg diff --git a/src/distrib/sample/images/duckCM.jpg b/sample/images/duckCM.jpg similarity index 100% rename from src/distrib/sample/images/duckCM.jpg rename to sample/images/duckCM.jpg diff --git a/src/distrib/sample/images/mushroom.jpg b/sample/images/mushroom.jpg similarity index 100% rename from src/distrib/sample/images/mushroom.jpg rename to sample/images/mushroom.jpg diff --git a/src/distrib/sample/images/planeDiffuse.jpg b/sample/images/planeDiffuse.jpg similarity index 100% rename from src/distrib/sample/images/planeDiffuse.jpg rename to sample/images/planeDiffuse.jpg diff --git a/src/distrib/sample/knot_max_simplified.STL b/sample/knot_max_simplified.STL similarity index 100% rename from src/distrib/sample/knot_max_simplified.STL rename to sample/knot_max_simplified.STL diff --git a/src/distrib/sample/many_small_holes.ply b/sample/many_small_holes.ply similarity index 100% rename from src/distrib/sample/many_small_holes.ply rename to sample/many_small_holes.ply diff --git a/src/distrib/sample/mushroom_wigglatexadescent.dae b/sample/mushroom_wigglatexadescent.dae similarity index 100% rename from src/distrib/sample/mushroom_wigglatexadescent.dae rename to sample/mushroom_wigglatexadescent.dae diff --git a/src/distrib/sample/noise.png b/sample/noise.png similarity index 100% rename from src/distrib/sample/noise.png rename to sample/noise.png diff --git a/src/distrib/sample/non_manif_hole.ply b/sample/non_manif_hole.ply similarity index 100% rename from src/distrib/sample/non_manif_hole.ply rename to sample/non_manif_hole.ply diff --git a/src/distrib/sample/normalmap/laurana500.ply b/sample/normalmap/laurana500.ply similarity index 100% rename from src/distrib/sample/normalmap/laurana500.ply rename to sample/normalmap/laurana500.ply diff --git a/src/distrib/sample/normalmap/laurana500.png b/sample/normalmap/laurana500.png similarity index 100% rename from src/distrib/sample/normalmap/laurana500.png rename to sample/normalmap/laurana500.png diff --git a/src/distrib/sample/normalmap/matteonormb.ply b/sample/normalmap/matteonormb.ply similarity index 100% rename from src/distrib/sample/normalmap/matteonormb.ply rename to sample/normalmap/matteonormb.ply diff --git a/src/distrib/sample/normalmap/matteonormb.png b/sample/normalmap/matteonormb.png similarity index 100% rename from src/distrib/sample/normalmap/matteonormb.png rename to sample/normalmap/matteonormb.png diff --git a/src/distrib/sample/normalmap/uccello200.ply b/sample/normalmap/uccello200.ply similarity index 100% rename from src/distrib/sample/normalmap/uccello200.ply rename to 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b/sample/rangemaps/faccia045.ply similarity index 100% rename from src/distrib/sample/rangemaps/faccia045.ply rename to sample/rangemaps/faccia045.ply diff --git a/src/distrib/sample/rangemaps/faccia090.ply b/sample/rangemaps/faccia090.ply similarity index 100% rename from src/distrib/sample/rangemaps/faccia090.ply rename to sample/rangemaps/faccia090.ply diff --git a/src/distrib/sample/rangemaps/faccia135.ply b/sample/rangemaps/faccia135.ply similarity index 100% rename from src/distrib/sample/rangemaps/faccia135.ply rename to sample/rangemaps/faccia135.ply diff --git a/src/distrib/sample/rangemaps/faccia180.ply b/sample/rangemaps/faccia180.ply similarity index 100% rename from src/distrib/sample/rangemaps/faccia180.ply rename to sample/rangemaps/faccia180.ply diff --git a/src/distrib/sample/rangemaps/faccia225.ply b/sample/rangemaps/faccia225.ply similarity index 100% rename from src/distrib/sample/rangemaps/faccia225.ply rename to sample/rangemaps/faccia225.ply diff --git a/src/distrib/sample/rangemaps/faccia270.ply b/sample/rangemaps/faccia270.ply similarity index 100% rename from src/distrib/sample/rangemaps/faccia270.ply rename to sample/rangemaps/faccia270.ply diff --git a/src/distrib/sample/rangemaps/faccia315.ply b/sample/rangemaps/faccia315.ply similarity index 100% rename from src/distrib/sample/rangemaps/faccia315.ply rename to sample/rangemaps/faccia315.ply diff --git a/src/distrib/sample/rangemaps/lato000.ply b/sample/rangemaps/lato000.ply similarity index 100% rename from src/distrib/sample/rangemaps/lato000.ply rename to sample/rangemaps/lato000.ply diff --git a/src/distrib/sample/rangemaps/lato045.ply b/sample/rangemaps/lato045.ply similarity index 100% rename from src/distrib/sample/rangemaps/lato045.ply rename to sample/rangemaps/lato045.ply diff --git a/src/distrib/sample/rangemaps/lato090.ply b/sample/rangemaps/lato090.ply similarity index 100% rename from src/distrib/sample/rangemaps/lato090.ply rename to sample/rangemaps/lato090.ply diff --git a/src/distrib/sample/rangemaps/lato135.ply b/sample/rangemaps/lato135.ply similarity index 100% rename from src/distrib/sample/rangemaps/lato135.ply rename to sample/rangemaps/lato135.ply diff --git a/src/distrib/sample/rangemaps/lato180.ply b/sample/rangemaps/lato180.ply similarity index 100% rename from src/distrib/sample/rangemaps/lato180.ply rename to sample/rangemaps/lato180.ply diff --git a/src/distrib/sample/rangemaps/lato225.ply b/sample/rangemaps/lato225.ply similarity index 100% rename from src/distrib/sample/rangemaps/lato225.ply rename to sample/rangemaps/lato225.ply diff --git a/src/distrib/sample/rangemaps/lato270.ply b/sample/rangemaps/lato270.ply similarity index 100% rename from src/distrib/sample/rangemaps/lato270.ply rename to sample/rangemaps/lato270.ply diff --git a/src/distrib/sample/rangemaps/lato315.ply b/sample/rangemaps/lato315.ply similarity index 100% rename from src/distrib/sample/rangemaps/lato315.ply rename to sample/rangemaps/lato315.ply diff --git a/src/distrib/sample/rangemaps/partial.mlp b/sample/rangemaps/partial.mlp similarity index 100% rename from src/distrib/sample/rangemaps/partial.mlp rename to sample/rangemaps/partial.mlp diff --git a/src/distrib/sample/rangemaps/two_finely_aligned.mlp b/sample/rangemaps/two_finely_aligned.mlp similarity index 100% rename from src/distrib/sample/rangemaps/two_finely_aligned.mlp rename to sample/rangemaps/two_finely_aligned.mlp diff --git a/src/distrib/sample/rangemaps/two_roughly_aligned.mlp b/sample/rangemaps/two_roughly_aligned.mlp similarity index 100% rename from src/distrib/sample/rangemaps/two_roughly_aligned.mlp rename to sample/rangemaps/two_roughly_aligned.mlp diff --git a/src/distrib/sample/readme.txt b/sample/readme.txt similarity index 100% rename from src/distrib/sample/readme.txt rename to sample/readme.txt diff --git a/src/distrib/sample/saddle2.mtl b/sample/saddle2.mtl similarity index 100% rename from src/distrib/sample/saddle2.mtl rename to sample/saddle2.mtl diff --git a/src/distrib/sample/saddle2.obj b/sample/saddle2.obj similarity index 100% rename from src/distrib/sample/saddle2.obj rename to sample/saddle2.obj diff --git a/src/distrib/sample/screwdriver.ply b/sample/screwdriver.ply similarity index 100% rename from src/distrib/sample/screwdriver.ply rename to sample/screwdriver.ply diff --git a/src/distrib/sample/seashell.gts b/sample/seashell.gts similarity index 100% rename from src/distrib/sample/seashell.gts rename to sample/seashell.gts diff --git a/src/distrib/sample/seymourplane_triangulate.dae b/sample/seymourplane_triangulate.dae similarity index 100% rename from src/distrib/sample/seymourplane_triangulate.dae rename to sample/seymourplane_triangulate.dae diff --git a/src/distrib/sample/sharp_sphere.off b/sample/sharp_sphere.off similarity index 100% rename from src/distrib/sample/sharp_sphere.off rename to sample/sharp_sphere.off diff --git a/src/distrib/sample/sp.3ds b/sample/sp.3ds similarity index 100% rename from src/distrib/sample/sp.3ds rename to sample/sp.3ds diff --git a/src/distrib/sample/sp.JPG b/sample/sp.JPG similarity index 100% rename from src/distrib/sample/sp.JPG rename to sample/sp.JPG diff --git a/src/distrib/sample/sub.mtl b/sample/sub.mtl similarity index 100% rename from src/distrib/sample/sub.mtl rename to sample/sub.mtl diff --git a/src/distrib/sample/sub.obj b/sample/sub.obj similarity index 100% rename from src/distrib/sample/sub.obj rename to sample/sub.obj diff --git a/src/distrib/sample/sub_texture.jpg b/sample/sub_texture.jpg similarity index 100% rename from src/distrib/sample/sub_texture.jpg rename to sample/sub_texture.jpg diff --git a/src/distrib/sample/texturedknot.mtl b/sample/texturedknot.mtl similarity index 100% rename from src/distrib/sample/texturedknot.mtl rename to sample/texturedknot.mtl diff --git a/src/distrib/sample/texturedknot.obj b/sample/texturedknot.obj similarity index 100% rename from src/distrib/sample/texturedknot.obj rename to sample/texturedknot.obj diff --git a/src/distrib/sample/texturedknot.ply b/sample/texturedknot.ply similarity index 100% rename from src/distrib/sample/texturedknot.ply rename to sample/texturedknot.ply diff --git a/src/distrib/sample/trim-star.off b/sample/trim-star.off similarity index 100% rename from src/distrib/sample/trim-star.off rename to sample/trim-star.off diff --git a/src/distrib/sample/twirl.off b/sample/twirl.off similarity index 100% rename from src/distrib/sample/twirl.off rename to sample/twirl.off diff --git a/src/distrib/sample/u3d/ifdraft.sty b/sample/u3d/ifdraft.sty similarity index 100% rename from src/distrib/sample/u3d/ifdraft.sty rename to sample/u3d/ifdraft.sty diff --git a/src/distrib/sample/u3d/movie15.sty b/sample/u3d/movie15.sty similarity index 100% rename from src/distrib/sample/u3d/movie15.sty rename to sample/u3d/movie15.sty diff --git a/src/.qmake.conf b/src/.qmake.conf index 11a506344..950d1935e 100644 --- a/src/.qmake.conf +++ b/src/.qmake.conf @@ -1,3 +1,13 @@ MESHLAB_SOURCE_DIRECTORY=$$PWD MESHLAB_BUILD_DIRECTORY=$$shadowed($$PWD) -MESHLAB_DISTRIB_DIRECTORY=$$shadowed($$PWD)/distrib + +#if we are using shadow build, distrib will be inside the shadow build +!equals(MESHLAB_BUILD_DIRECTORY, $$PWD) { + MESHLAB_DISTRIB_DIRECTORY=$$shadowed($$PWD)/distrib +} + +#if we are not using shadow build, distrib will be at the same level of +#src directory +equals(MESHLAB_BUILD_DIRECTORY, $$PWD) { + MESHLAB_DISTRIB_DIRECTORY=$$MESHLAB_SOURCE_DIRECTORY/../distrib +} diff --git a/src/distrib/plugins/U3D_W32/IFXCore.dll b/src/distrib/plugins/U3D_W32/IFXCore.dll deleted file mode 100644 index 8b2962cbb..000000000 Binary files a/src/distrib/plugins/U3D_W32/IFXCore.dll and /dev/null differ diff --git a/src/distrib/plugins/U3D_W32/Plugins/IFXExporting.dll b/src/distrib/plugins/U3D_W32/Plugins/IFXExporting.dll deleted file mode 100644 index 6c6c464dd..000000000 Binary files a/src/distrib/plugins/U3D_W32/Plugins/IFXExporting.dll and /dev/null differ diff --git a/src/distrib/sample/1cfcmodel21.pdb b/src/distrib/sample/1cfcmodel21.pdb deleted file mode 100644 index b8a0b913a..000000000 --- a/src/distrib/sample/1cfcmodel21.pdb +++ /dev/null @@ -1,2396 +0,0 @@ -USER MOD reduce.3.11.080228 H: found=0, std=0, add=1097, rem=0, adj=31 -REMARK File generated by Swiss-PdbViewer 4.00b0 -REMARK http://www.expasy.org/spdbv/ -REMARK 4 REMEDIATOR VALIDATED PDB VERSION 2.3 COMPLIANT -USER MOD ----------------------------------------------------------------- -USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q -USER MOD "o" means original, "f" means flipped, "180deg" is methyl default -USER MOD "!" flags a clash with an overlap of 0.40A or greater -USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip -USER MOD Set 1.1: A 107 HIS : no HD1:sc= -2.92! 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(180deg=-4.55) -USER MOD Single : A 72 MET CE :methyl 157:sc= -0.138 (180deg=-0.484) -USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) -USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.12) -USER MOD Single : A 79 THR OG1 : rot -51:sc= 0.0084 -USER MOD Single : A 81 SER OG : rot 130:sc= -0.541 -USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.153) -USER MOD Single : A 97 ASN : amide:sc= -1.85! X(o=-1.8!,f=-1.4) -USER MOD Single : A 99 TYR OH : rot 180:sc= 0 -USER MOD Single : A 101 SER OG : rot -77:sc= 1.23 -USER MOD Single : A 109 MET CE :methyl -167:sc= -2.06 (180deg=-2.9) -USER MOD Single : A 110 THR OG1 : rot 99:sc= 1.26 -USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) -USER MOD Single : A 117 THR OG1 : rot -89:sc= 0.833 -USER MOD Single : A 124 MET CE :methyl -171:sc= -0.0284 (180deg=-0.136) -USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) -USER MOD Single : A 137 ASN : amide:sc= 0.305 K(o=0.3,f=-4.6!) -USER MOD Single : A 138 TYR OH : rot 8:sc= 0.717 -USER MOD Single : A 143 GLN : amide:sc= -1.02 K(o=-1,f=-5.6!) -USER MOD Single : A 144 MET CE :methyl -146:sc= -0.0109 (180deg=-1.67!) -USER MOD Single : A 145 MET CE :methyl -172:sc= -1.48 (180deg=-1.99) -USER MOD Single : A 146 THR OG1 : rot -160:sc= -0.715 -USER MOD Single : A 148 LYS NZ :NH3+ 172:sc= 0.0581 (180deg=-0.109) -USER MOD ----------------------------------------------------------------- -ATOM 1 N ALA A 1 4.110 4.080 -19.704 1.00 2.03 -ATOM 2 CA ALA A 1 3.620 2.906 -19.002 1.00 1.85 -ATOM 3 C ALA A 1 3.956 3.031 -17.527 1.00 1.54 -ATOM 4 O ALA A 1 4.928 3.698 -17.169 1.00 1.79 -ATOM 5 CB ALA A 1 4.254 1.646 -19.576 1.00 1.71 -ATOM 0 1H ALA A 1 3.807 4.050 -20.656 1.00 2.03 H + new -ATOM 0 2H ALA A 1 3.751 4.905 -19.266 1.00 2.03 H + new -ATOM 0 3H ALA A 1 5.109 4.094 -19.673 1.00 2.03 H + new -ATOM 0 HA ALA A 1 2.529 2.836 -19.127 1.00 1.85 H new -ATOM 0 1HB ALA A 1 3.875 0.766 -19.036 1.00 1.71 H new -ATOM 0 2HB ALA A 1 3.999 1.560 -20.642 1.00 1.71 H new -ATOM 0 3HB ALA A 1 5.347 1.701 -19.464 1.00 1.71 H new -ATOM 6 N ASP A 2 3.164 2.381 -16.682 1.00 1.22 -ATOM 7 CA ASP A 2 3.368 2.386 -15.210 1.00 0.91 -ATOM 8 C ASP A 2 4.153 1.176 -14.790 1.00 0.70 -ATOM 9 O ASP A 2 4.461 0.946 -13.619 1.00 0.52 -ATOM 10 CB ASP A 2 2.043 2.429 -14.467 1.00 0.78 -ATOM 11 CG ASP A 2 1.153 1.215 -14.705 1.00 1.53 -ATOM 12 OD1 ASP A 2 0.545 1.111 -15.793 1.00 1.37 -ATOM 13 OD2 ASP A 2 0.988 0.380 -13.806 1.00 2.68 -ATOM 0 H ASP A 2 2.375 1.842 -16.976 1.00 1.22 H new -ATOM 0 HA ASP A 2 3.934 3.293 -14.952 1.00 0.91 H new -ATOM 0 1HB ASP A 2 2.243 2.517 -13.389 1.00 0.78 H new -ATOM 0 2HB ASP A 2 1.496 3.335 -14.768 1.00 0.78 H new -ATOM 14 N GLN A 3 4.449 0.441 -15.755 1.00 0.78 -ATOM 15 CA GLN A 3 5.241 -0.759 -15.656 1.00 0.66 -ATOM 16 C GLN A 3 6.476 -0.581 -16.450 1.00 0.47 -ATOM 17 O GLN A 3 6.493 0.217 -17.399 1.00 0.53 -ATOM 18 CB GLN A 3 4.497 -1.985 -16.180 1.00 0.77 -ATOM 19 CG GLN A 3 3.281 -2.307 -15.398 1.00 1.12 -ATOM 20 CD GLN A 3 2.481 -3.428 -16.009 1.00 1.25 -ATOM 21 OE1 GLN A 3 2.484 -3.633 -17.232 1.00 0.95 -ATOM 22 NE2 GLN A 3 1.761 -4.124 -15.199 1.00 2.17 -ATOM 0 H GLN A 3 4.151 0.636 -16.689 1.00 0.78 H new -ATOM 0 HA GLN A 3 5.467 -0.927 -14.593 1.00 0.66 H new -ATOM 0 1HB GLN A 3 4.216 -1.814 -17.230 1.00 0.77 H new -ATOM 0 2HB GLN A 3 5.175 -2.851 -16.165 1.00 0.77 H new -ATOM 0 1HG GLN A 3 3.571 -2.584 -14.374 1.00 1.12 H new -ATOM 0 2HG GLN A 3 2.650 -1.409 -15.322 1.00 1.12 H new -ATOM 0 1HE2 GLN A 3 1.180 -4.858 -15.551 1.00 2.17 H new -ATOM 0 2HE2 GLN A 3 1.783 -3.931 -14.218 1.00 2.17 H new -ATOM 23 N LEU A 4 7.517 -1.259 -16.053 1.00 0.32 -ATOM 24 CA LEU A 4 8.709 -1.267 -16.761 1.00 0.26 -ATOM 25 C LEU A 4 8.449 -1.939 -18.104 1.00 0.29 -ATOM 26 O LEU A 4 7.842 -3.021 -18.147 1.00 0.32 -ATOM 27 CB LEU A 4 9.686 -2.102 -15.965 1.00 0.21 -ATOM 28 CG LEU A 4 9.623 -1.958 -14.430 1.00 0.20 -ATOM 29 CD1 LEU A 4 9.514 -0.544 -13.907 1.00 0.16 -ATOM 30 CD2 LEU A 4 8.723 -2.968 -13.723 1.00 0.25 -ATOM 0 H LEU A 4 7.532 -1.814 -15.222 1.00 0.32 H new -ATOM 0 HA LEU A 4 9.103 -0.253 -16.921 1.00 0.26 H new -ATOM 0 1HB LEU A 4 9.522 -3.160 -16.219 1.00 0.21 H new -ATOM 0 2HB LEU A 4 10.704 -1.847 -16.293 1.00 0.21 H new -ATOM 0 HG LEU A 4 10.638 -2.253 -14.126 1.00 0.20 H new -ATOM 0 1HD1 LEU A 4 9.477 -0.561 -12.808 1.00 0.16 H new -ATOM 0 2HD1 LEU A 4 10.389 0.037 -14.235 1.00 0.16 H new -ATOM 0 3HD1 LEU A 4 8.597 -0.078 -14.297 1.00 0.16 H new -ATOM 0 1HD2 LEU A 4 8.745 -2.784 -12.639 1.00 0.25 H new -ATOM 0 2HD2 LEU A 4 7.692 -2.862 -14.091 1.00 0.25 H new -ATOM 0 3HD2 LEU A 4 9.082 -3.987 -13.929 1.00 0.25 H new -ATOM 31 N THR A 5 8.830 -1.301 -19.180 1.00 0.40 -ATOM 32 CA THR A 5 8.670 -1.902 -20.476 1.00 0.49 -ATOM 33 C THR A 5 9.607 -3.104 -20.595 1.00 0.44 -ATOM 34 O THR A 5 10.545 -3.237 -19.810 1.00 0.42 -ATOM 35 CB THR A 5 8.936 -0.891 -21.611 1.00 0.64 -ATOM 36 OG1 THR A 5 10.244 -0.323 -21.481 1.00 0.73 -ATOM 37 CG2 THR A 5 7.895 0.210 -21.582 1.00 0.59 -ATOM 0 H THR A 5 9.242 -0.390 -19.184 1.00 0.40 H new -ATOM 0 HA THR A 5 7.627 -2.236 -20.579 1.00 0.49 H new -ATOM 0 HB THR A 5 8.874 -1.423 -22.572 1.00 0.64 H new -ATOM 0 HG1 THR A 5 10.401 0.328 -22.224 1.00 0.73 H new -ATOM 0 1HG2 THR A 5 8.094 0.925 -22.394 1.00 0.59 H new -ATOM 0 2HG2 THR A 5 6.894 -0.227 -21.715 1.00 0.59 H new -ATOM 0 3HG2 THR A 5 7.940 0.733 -20.615 1.00 0.59 H new -ATOM 38 N GLU A 6 9.345 -3.973 -21.535 1.00 0.43 -ATOM 39 CA GLU A 6 10.126 -5.178 -21.748 1.00 0.40 -ATOM 40 C GLU A 6 11.600 -4.860 -21.936 1.00 0.38 -ATOM 41 O GLU A 6 12.471 -5.569 -21.418 1.00 0.32 -ATOM 42 CB GLU A 6 9.588 -5.984 -22.938 1.00 0.46 -ATOM 43 CG GLU A 6 8.108 -6.375 -22.843 1.00 0.59 -ATOM 44 CD GLU A 6 7.161 -5.221 -23.104 1.00 2.36 -ATOM 45 OE1 GLU A 6 6.771 -5.017 -24.260 1.00 2.78 -ATOM 46 OE2 GLU A 6 6.809 -4.489 -22.168 1.00 3.60 -ATOM 0 H GLU A 6 8.585 -3.870 -22.177 1.00 0.43 H new -ATOM 0 HA GLU A 6 10.028 -5.796 -20.843 1.00 0.40 H new -ATOM 0 1HB GLU A 6 9.738 -5.397 -23.856 1.00 0.46 H new -ATOM 0 2HB GLU A 6 10.187 -6.901 -23.041 1.00 0.46 H new -ATOM 0 1HG GLU A 6 7.902 -7.179 -23.565 1.00 0.59 H new -ATOM 0 2HG GLU A 6 7.908 -6.784 -21.841 1.00 0.59 H new -ATOM 47 N GLU A 7 11.865 -3.786 -22.650 1.00 0.45 -ATOM 48 CA GLU A 7 13.166 -3.300 -22.871 1.00 0.44 -ATOM 49 C GLU A 7 13.785 -2.824 -21.548 1.00 0.39 -ATOM 50 O GLU A 7 14.942 -3.097 -21.278 1.00 0.34 -ATOM 51 CB GLU A 7 13.046 -2.178 -23.855 1.00 0.52 -ATOM 52 CG GLU A 7 14.022 -2.270 -24.964 1.00 0.64 -ATOM 53 CD GLU A 7 13.897 -1.156 -25.966 1.00 1.25 -ATOM 54 OE1 GLU A 7 13.121 -1.301 -26.942 1.00 2.32 -ATOM 55 OE2 GLU A 7 14.573 -0.104 -25.801 1.00 0.98 -ATOM 0 H GLU A 7 11.154 -3.236 -23.089 1.00 0.45 H new -ATOM 0 HA GLU A 7 13.828 -4.084 -23.268 1.00 0.44 H new -ATOM 0 1HB GLU A 7 12.028 -2.171 -24.271 1.00 0.52 H new -ATOM 0 2HB GLU A 7 13.186 -1.222 -23.330 1.00 0.52 H new -ATOM 0 1HG GLU A 7 15.040 -2.265 -24.547 1.00 0.64 H new -ATOM 0 2HG GLU A 7 13.890 -3.233 -25.479 1.00 0.64 H new -ATOM 56 N GLN A 8 12.992 -2.149 -20.712 1.00 0.40 -ATOM 57 CA GLN A 8 13.470 -1.712 -19.400 1.00 0.38 -ATOM 58 C GLN A 8 13.734 -2.906 -18.503 1.00 0.29 -ATOM 59 O GLN A 8 14.724 -2.937 -17.806 1.00 0.26 -ATOM 60 CB GLN A 8 12.503 -0.749 -18.717 1.00 0.43 -ATOM 61 CG GLN A 8 12.390 0.588 -19.398 1.00 0.61 -ATOM 62 CD GLN A 8 11.370 1.492 -18.746 1.00 0.44 -ATOM 63 OE1 GLN A 8 10.377 1.028 -18.183 1.00 0.65 -ATOM 64 NE2 GLN A 8 11.603 2.770 -18.818 1.00 0.23 -ATOM 0 H GLN A 8 12.045 -1.901 -20.914 1.00 0.40 H new -ATOM 0 HA GLN A 8 14.411 -1.168 -19.570 1.00 0.38 H new -ATOM 0 1HB GLN A 8 11.507 -1.214 -18.676 1.00 0.43 H new -ATOM 0 2HB GLN A 8 12.829 -0.594 -17.678 1.00 0.43 H new -ATOM 0 1HG GLN A 8 13.372 1.084 -19.388 1.00 0.61 H new -ATOM 0 2HG GLN A 8 12.117 0.435 -20.453 1.00 0.61 H new -ATOM 0 1HE2 GLN A 8 10.963 3.419 -18.406 1.00 0.23 H new -ATOM 0 2HE2 GLN A 8 12.422 3.103 -19.285 1.00 0.23 H new -ATOM 65 N ILE A 9 12.863 -3.912 -18.558 1.00 0.27 -ATOM 66 CA ILE A 9 13.036 -5.126 -17.761 1.00 0.18 -ATOM 67 C ILE A 9 14.335 -5.808 -18.184 1.00 0.17 -ATOM 68 O ILE A 9 15.108 -6.282 -17.347 1.00 0.13 -ATOM 69 CB ILE A 9 11.824 -6.110 -17.903 1.00 0.16 -ATOM 70 CG1 ILE A 9 10.526 -5.433 -17.424 1.00 0.18 -ATOM 71 CG2 ILE A 9 12.071 -7.391 -17.103 1.00 0.10 -ATOM 72 CD1 ILE A 9 9.273 -6.261 -17.637 1.00 0.18 -ATOM 0 H ILE A 9 12.046 -3.911 -19.135 1.00 0.27 H new -ATOM 0 HA ILE A 9 13.083 -4.842 -16.699 1.00 0.18 H new -ATOM 0 HB ILE A 9 11.718 -6.375 -18.965 1.00 0.16 H new -ATOM 0 1HG1 ILE A 9 10.621 -5.202 -16.353 1.00 0.18 H new -ATOM 0 2HG1 ILE A 9 10.411 -4.474 -17.950 1.00 0.18 H new -ATOM 0 1HG2 ILE A 9 11.210 -8.066 -17.216 1.00 0.10 H new -ATOM 0 2HG2 ILE A 9 12.978 -7.888 -17.477 1.00 0.10 H new -ATOM 0 3HG2 ILE A 9 12.203 -7.140 -16.040 1.00 0.10 H new -ATOM 0 1HD1 ILE A 9 8.398 -5.705 -17.269 1.00 0.18 H new -ATOM 0 2HD1 ILE A 9 9.149 -6.470 -18.710 1.00 0.18 H new -ATOM 0 3HD1 ILE A 9 9.362 -7.210 -17.087 1.00 0.18 H new -ATOM 73 N ALA A 10 14.595 -5.785 -19.484 1.00 0.26 -ATOM 74 CA ALA A 10 15.812 -6.319 -20.029 1.00 0.26 -ATOM 75 C ALA A 10 17.012 -5.515 -19.516 1.00 0.28 -ATOM 76 O ALA A 10 17.988 -6.099 -19.075 1.00 0.39 -ATOM 77 CB ALA A 10 15.752 -6.355 -21.563 1.00 0.31 -ATOM 0 H ALA A 10 13.974 -5.401 -20.167 1.00 0.26 H new -ATOM 0 HA ALA A 10 15.935 -7.358 -19.690 1.00 0.26 H new -ATOM 0 1HB ALA A 10 16.693 -6.767 -21.958 1.00 0.31 H new -ATOM 0 2HB ALA A 10 14.912 -6.989 -21.883 1.00 0.31 H new -ATOM 0 3HB ALA A 10 15.608 -5.335 -21.949 1.00 0.31 H new -ATOM 78 N GLU A 11 16.886 -4.174 -19.487 1.00 0.25 -ATOM 79 CA GLU A 11 17.975 -3.283 -19.015 1.00 0.27 -ATOM 80 C GLU A 11 18.303 -3.580 -17.587 1.00 0.22 -ATOM 81 O GLU A 11 19.479 -3.729 -17.215 1.00 0.22 -ATOM 82 CB GLU A 11 17.624 -1.783 -19.061 1.00 0.35 -ATOM 83 CG GLU A 11 17.324 -1.197 -20.403 1.00 0.59 -ATOM 84 CD GLU A 11 17.345 0.305 -20.367 1.00 0.58 -ATOM 85 OE1 GLU A 11 16.322 0.940 -20.036 1.00 1.41 -ATOM 86 OE2 GLU A 11 18.401 0.895 -20.677 1.00 1.31 -ATOM 0 H GLU A 11 16.061 -3.690 -19.778 1.00 0.25 H new -ATOM 0 HA GLU A 11 18.813 -3.480 -19.700 1.00 0.27 H new -ATOM 0 1HB GLU A 11 16.751 -1.616 -18.412 1.00 0.35 H new -ATOM 0 2HB GLU A 11 18.463 -1.222 -18.623 1.00 0.35 H new -ATOM 0 1HG GLU A 11 18.061 -1.558 -21.135 1.00 0.59 H new -ATOM 0 2HG GLU A 11 16.337 -1.543 -20.743 1.00 0.59 H new -ATOM 87 N PHE A 12 17.264 -3.685 -16.793 1.00 0.20 -ATOM 88 CA PHE A 12 17.377 -3.876 -15.426 1.00 0.18 -ATOM 89 C PHE A 12 17.970 -5.247 -15.155 1.00 0.12 -ATOM 90 O PHE A 12 18.758 -5.406 -14.242 1.00 0.14 -ATOM 91 CB PHE A 12 15.998 -3.721 -14.781 1.00 0.16 -ATOM 92 CG PHE A 12 15.275 -2.357 -14.915 1.00 0.26 -ATOM 93 CD1 PHE A 12 15.903 -1.215 -15.455 1.00 0.39 -ATOM 94 CD2 PHE A 12 13.940 -2.230 -14.487 1.00 0.48 -ATOM 95 CE1 PHE A 12 15.207 -0.005 -15.548 1.00 0.46 -ATOM 96 CE2 PHE A 12 13.263 -1.028 -14.585 1.00 0.56 -ATOM 97 CZ PHE A 12 13.885 0.083 -15.111 1.00 0.46 -ATOM 0 H PHE A 12 16.319 -3.635 -17.116 1.00 0.20 H new -ATOM 0 HA PHE A 12 18.048 -3.123 -14.987 1.00 0.18 H new -ATOM 0 1HB PHE A 12 15.340 -4.493 -15.206 1.00 0.16 H new -ATOM 0 2HB PHE A 12 16.102 -3.942 -13.708 1.00 0.16 H new -ATOM 0 HD1 PHE A 12 16.944 -1.276 -15.804 1.00 0.39 H new -ATOM 0 HD2 PHE A 12 13.424 -3.105 -14.066 1.00 0.48 H new -ATOM 0 HE1 PHE A 12 15.705 0.882 -15.968 1.00 0.46 H new -ATOM 0 HE2 PHE A 12 12.221 -0.959 -14.241 1.00 0.56 H new -ATOM 0 HZ PHE A 12 13.341 1.036 -15.186 1.00 0.46 H new -ATOM 98 N LYS A 13 17.624 -6.222 -15.982 1.00 0.09 -ATOM 99 CA LYS A 13 18.161 -7.550 -15.825 1.00 0.05 -ATOM 100 C LYS A 13 19.629 -7.600 -16.204 1.00 0.03 -ATOM 101 O LYS A 13 20.402 -8.285 -15.550 1.00 0.06 -ATOM 102 CB LYS A 13 17.355 -8.587 -16.580 1.00 0.05 -ATOM 103 CG LYS A 13 17.853 -9.998 -16.335 1.00 0.07 -ATOM 104 CD LYS A 13 16.943 -11.020 -16.938 1.00 0.04 -ATOM 105 CE LYS A 13 15.655 -11.171 -16.158 1.00 0.16 -ATOM 106 NZ LYS A 13 14.737 -12.124 -16.810 1.00 0.67 -ATOM 0 H LYS A 13 16.989 -6.114 -16.747 1.00 0.09 H new -ATOM 0 HA LYS A 13 18.082 -7.804 -14.758 1.00 0.05 H new -ATOM 0 1HB LYS A 13 16.299 -8.517 -16.279 1.00 0.05 H new -ATOM 0 2HB LYS A 13 17.398 -8.368 -17.657 1.00 0.05 H new -ATOM 0 1HG LYS A 13 18.862 -10.110 -16.759 1.00 0.07 H new -ATOM 0 2HG LYS A 13 17.937 -10.175 -15.253 1.00 0.07 H new -ATOM 0 1HD LYS A 13 16.710 -10.735 -17.975 1.00 0.04 H new -ATOM 0 2HD LYS A 13 17.460 -11.990 -16.979 1.00 0.04 H new -ATOM 0 1HE LYS A 13 15.880 -11.516 -15.138 1.00 0.16 H new -ATOM 0 2HE LYS A 13 15.164 -10.191 -16.065 1.00 0.16 H new -ATOM 0 1HZ LYS A 13 13.898 -12.201 -16.271 1.00 0.67 H + new -ATOM 0 2HZ LYS A 13 14.514 -11.798 -17.729 1.00 0.67 H + new -ATOM 0 3HZ LYS A 13 15.176 -13.020 -16.873 1.00 0.67 H + new -ATOM 107 N GLU A 14 20.019 -6.853 -17.235 1.00 0.05 -ATOM 108 CA GLU A 14 21.439 -6.761 -17.633 1.00 0.05 -ATOM 109 C GLU A 14 22.242 -6.271 -16.470 1.00 0.06 -ATOM 110 O GLU A 14 23.267 -6.865 -16.100 1.00 0.13 -ATOM 111 CB GLU A 14 21.646 -5.761 -18.766 1.00 0.08 -ATOM 112 CG GLU A 14 20.823 -6.015 -19.982 1.00 0.14 -ATOM 113 CD GLU A 14 21.117 -7.334 -20.629 1.00 0.55 -ATOM 114 OE1 GLU A 14 21.931 -7.372 -21.560 1.00 0.58 -ATOM 115 OE2 GLU A 14 20.517 -8.358 -20.254 1.00 1.74 -ATOM 0 H GLU A 14 19.396 -6.313 -17.801 1.00 0.05 H new -ATOM 0 HA GLU A 14 21.753 -7.762 -17.964 1.00 0.05 H new -ATOM 0 1HB GLU A 14 21.419 -4.752 -18.391 1.00 0.08 H new -ATOM 0 2HB GLU A 14 22.708 -5.767 -19.052 1.00 0.08 H new -ATOM 0 1HG GLU A 14 19.758 -5.977 -19.710 1.00 0.14 H new -ATOM 0 2HG GLU A 14 20.998 -5.210 -20.710 1.00 0.14 H new -ATOM 116 N ALA A 15 21.747 -5.207 -15.870 1.00 0.10 -ATOM 117 CA ALA A 15 22.418 -4.598 -14.755 1.00 0.10 -ATOM 118 C ALA A 15 22.379 -5.508 -13.534 1.00 0.10 -ATOM 119 O ALA A 15 23.378 -5.669 -12.845 1.00 0.10 -ATOM 120 CB ALA A 15 21.824 -3.229 -14.462 1.00 0.09 -ATOM 0 H ALA A 15 20.894 -4.758 -16.138 1.00 0.10 H new -ATOM 0 HA ALA A 15 23.477 -4.453 -15.016 1.00 0.10 H new -ATOM 0 1HB ALA A 15 22.348 -2.777 -13.607 1.00 0.09 H new -ATOM 0 2HB ALA A 15 21.938 -2.583 -15.345 1.00 0.09 H new -ATOM 0 3HB ALA A 15 20.756 -3.336 -14.222 1.00 0.09 H new -ATOM 121 N PHE A 16 21.246 -6.148 -13.312 1.00 0.11 -ATOM 122 CA PHE A 16 21.065 -7.012 -12.163 1.00 0.11 -ATOM 123 C PHE A 16 21.964 -8.216 -12.220 1.00 0.13 -ATOM 124 O PHE A 16 22.525 -8.655 -11.212 1.00 0.14 -ATOM 125 CB PHE A 16 19.609 -7.431 -12.057 1.00 0.11 -ATOM 126 CG PHE A 16 19.241 -7.950 -10.714 1.00 0.11 -ATOM 127 CD1 PHE A 16 19.294 -9.305 -10.489 1.00 0.13 -ATOM 128 CD2 PHE A 16 18.836 -7.105 -9.692 1.00 0.11 -ATOM 129 CE1 PHE A 16 18.952 -9.830 -9.276 1.00 0.14 -ATOM 130 CE2 PHE A 16 18.490 -7.616 -8.458 1.00 0.12 -ATOM 131 CZ PHE A 16 18.549 -8.987 -8.247 1.00 0.13 -ATOM 0 H PHE A 16 20.446 -6.085 -13.908 1.00 0.11 H new -ATOM 0 HA PHE A 16 21.344 -6.444 -11.263 1.00 0.11 H new -ATOM 0 1HB PHE A 16 18.969 -6.569 -12.297 1.00 0.11 H new -ATOM 0 2HB PHE A 16 19.402 -8.205 -12.810 1.00 0.11 H new -ATOM 0 HD1 PHE A 16 19.617 -9.976 -11.298 1.00 0.13 H new -ATOM 0 HD2 PHE A 16 18.790 -6.020 -9.866 1.00 0.11 H new -ATOM 0 HE1 PHE A 16 18.995 -10.917 -9.114 1.00 0.14 H new -ATOM 0 HE2 PHE A 16 18.170 -6.943 -7.649 1.00 0.12 H new -ATOM 0 HZ PHE A 16 18.277 -9.406 -7.267 1.00 0.13 H new -ATOM 132 N SER A 17 22.168 -8.681 -13.393 1.00 0.15 -ATOM 133 CA SER A 17 22.885 -9.911 -13.579 1.00 0.18 -ATOM 134 C SER A 17 24.407 -9.724 -13.516 1.00 0.16 -ATOM 135 O SER A 17 25.150 -10.701 -13.463 1.00 0.15 -ATOM 136 CB SER A 17 22.440 -10.607 -14.852 1.00 0.24 -ATOM 137 OG SER A 17 21.035 -10.859 -14.822 1.00 1.74 -ATOM 0 H SER A 17 21.858 -8.243 -14.237 1.00 0.15 H new -ATOM 0 HA SER A 17 22.633 -10.568 -12.734 1.00 0.18 H new -ATOM 0 1HB SER A 17 22.688 -9.983 -15.724 1.00 0.24 H new -ATOM 0 2HB SER A 17 22.986 -11.555 -14.969 1.00 0.24 H new -ATOM 0 HG SER A 17 20.541 -10.024 -15.064 1.00 1.74 H new -ATOM 138 N LEU A 18 24.871 -8.471 -13.491 1.00 0.19 -ATOM 139 CA LEU A 18 26.286 -8.189 -13.339 1.00 0.19 -ATOM 140 C LEU A 18 26.741 -8.536 -11.925 1.00 0.16 -ATOM 141 O LEU A 18 27.883 -8.926 -11.696 1.00 0.18 -ATOM 142 CB LEU A 18 26.588 -6.700 -13.627 1.00 0.18 -ATOM 143 CG LEU A 18 26.497 -6.222 -15.074 1.00 0.22 -ATOM 144 CD1 LEU A 18 26.562 -4.704 -15.121 1.00 0.24 -ATOM 145 CD2 LEU A 18 27.640 -6.801 -15.886 1.00 0.28 -ATOM 0 H LEU A 18 24.293 -7.659 -13.573 1.00 0.19 H new -ATOM 0 HA LEU A 18 26.836 -8.806 -14.065 1.00 0.19 H new -ATOM 0 1HB LEU A 18 25.895 -6.092 -13.026 1.00 0.18 H new -ATOM 0 2HB LEU A 18 27.603 -6.485 -13.263 1.00 0.18 H new -ATOM 0 HG LEU A 18 25.541 -6.561 -15.500 1.00 0.22 H new -ATOM 0 1HD1 LEU A 18 26.496 -4.366 -16.166 1.00 0.24 H new -ATOM 0 2HD1 LEU A 18 25.724 -4.283 -14.546 1.00 0.24 H new -ATOM 0 3HD1 LEU A 18 27.513 -4.364 -14.685 1.00 0.24 H new -ATOM 0 1HD2 LEU A 18 27.566 -6.451 -16.926 1.00 0.28 H new -ATOM 0 2HD2 LEU A 18 28.598 -6.473 -15.457 1.00 0.28 H new -ATOM 0 3HD2 LEU A 18 27.586 -7.899 -15.865 1.00 0.28 H new -ATOM 146 N PHE A 19 25.843 -8.380 -10.980 1.00 0.15 -ATOM 147 CA PHE A 19 26.121 -8.578 -9.640 1.00 0.15 -ATOM 148 C PHE A 19 25.584 -9.899 -9.134 1.00 0.18 -ATOM 149 O PHE A 19 25.964 -10.371 -8.070 1.00 0.20 -ATOM 150 CB PHE A 19 25.642 -7.369 -8.853 1.00 0.12 -ATOM 151 CG PHE A 19 26.142 -6.084 -9.461 1.00 0.05 -ATOM 152 CD1 PHE A 19 25.414 -5.423 -10.437 1.00 0.08 -ATOM 153 CD2 PHE A 19 27.380 -5.583 -9.107 1.00 0.07 -ATOM 154 CE1 PHE A 19 25.908 -4.298 -11.050 1.00 0.11 -ATOM 155 CE2 PHE A 19 27.874 -4.450 -9.708 1.00 0.06 -ATOM 156 CZ PHE A 19 27.135 -3.809 -10.689 1.00 0.08 -ATOM 0 H PHE A 19 24.898 -8.108 -11.160 1.00 0.15 H new -ATOM 0 HA PHE A 19 27.208 -8.660 -9.494 1.00 0.15 H new -ATOM 0 1HB PHE A 19 24.542 -7.360 -8.824 1.00 0.12 H new -ATOM 0 2HB PHE A 19 25.991 -7.445 -7.812 1.00 0.12 H new -ATOM 0 HD1 PHE A 19 24.424 -5.806 -10.726 1.00 0.08 H new -ATOM 0 HD2 PHE A 19 27.976 -6.096 -8.337 1.00 0.07 H new -ATOM 0 HE1 PHE A 19 25.320 -3.791 -11.829 1.00 0.11 H new -ATOM 0 HE2 PHE A 19 28.855 -4.052 -9.410 1.00 0.06 H new -ATOM 0 HZ PHE A 19 27.534 -2.908 -11.178 1.00 0.08 H new -ATOM 157 N ASP A 20 24.758 -10.522 -9.923 1.00 0.21 -ATOM 158 CA ASP A 20 24.269 -11.843 -9.596 1.00 0.24 -ATOM 159 C ASP A 20 25.210 -12.873 -10.193 1.00 0.34 -ATOM 160 O ASP A 20 24.946 -13.473 -11.240 1.00 0.39 -ATOM 161 CB ASP A 20 22.809 -12.049 -10.045 1.00 0.23 -ATOM 162 CG ASP A 20 22.299 -13.479 -9.876 1.00 0.27 -ATOM 163 OD1 ASP A 20 22.556 -14.123 -8.841 1.00 1.06 -ATOM 164 OD2 ASP A 20 21.598 -13.974 -10.796 1.00 1.25 -ATOM 0 H ASP A 20 24.411 -10.149 -10.784 1.00 0.21 H new -ATOM 0 HA ASP A 20 24.256 -11.964 -8.503 1.00 0.24 H new -ATOM 0 1HB ASP A 20 22.161 -11.370 -9.471 1.00 0.23 H new -ATOM 0 2HB ASP A 20 22.718 -11.762 -11.103 1.00 0.23 H new -ATOM 165 N LYS A 21 26.377 -12.975 -9.587 1.00 0.38 -ATOM 166 CA LYS A 21 27.402 -13.921 -10.038 1.00 0.48 -ATOM 167 C LYS A 21 27.063 -15.346 -9.705 1.00 0.52 -ATOM 168 O LYS A 21 27.467 -16.284 -10.397 1.00 0.61 -ATOM 169 CB LYS A 21 28.787 -13.543 -9.527 1.00 0.51 -ATOM 170 CG LYS A 21 29.318 -12.249 -10.101 1.00 0.43 -ATOM 171 CD LYS A 21 29.563 -12.377 -11.588 1.00 0.46 -ATOM 172 CE LYS A 21 30.075 -11.084 -12.187 1.00 0.48 -ATOM 173 NZ LYS A 21 30.255 -11.183 -13.646 1.00 0.82 -ATOM 0 H LYS A 21 26.643 -12.427 -8.794 1.00 0.38 H new -ATOM 0 HA LYS A 21 27.422 -13.851 -11.136 1.00 0.48 H new -ATOM 0 1HB LYS A 21 28.753 -13.460 -8.431 1.00 0.51 H new -ATOM 0 2HB LYS A 21 29.490 -14.355 -9.766 1.00 0.51 H new -ATOM 0 1HG LYS A 21 28.600 -11.437 -9.912 1.00 0.43 H new -ATOM 0 2HG LYS A 21 30.254 -11.975 -9.593 1.00 0.43 H new -ATOM 0 1HD LYS A 21 30.292 -13.180 -11.772 1.00 0.46 H new -ATOM 0 2HD LYS A 21 28.629 -12.669 -12.090 1.00 0.46 H new -ATOM 0 1HE LYS A 21 29.369 -10.271 -11.960 1.00 0.48 H new -ATOM 0 2HE LYS A 21 31.034 -10.818 -11.718 1.00 0.48 H new -ATOM 0 1HZ LYS A 21 30.593 -10.311 -14.001 1.00 0.82 H + new -ATOM 0 2HZ LYS A 21 30.915 -11.905 -13.853 1.00 0.82 H + new -ATOM 0 3HZ LYS A 21 29.379 -11.400 -14.076 1.00 0.82 H + new -ATOM 174 N ASP A 22 26.304 -15.476 -8.692 1.00 0.45 -ATOM 175 CA ASP A 22 25.869 -16.693 -8.137 1.00 0.48 -ATOM 176 C ASP A 22 24.890 -17.375 -9.054 1.00 0.47 -ATOM 177 O ASP A 22 24.800 -18.605 -9.102 1.00 0.48 -ATOM 178 CB ASP A 22 25.174 -16.387 -6.808 1.00 0.43 -ATOM 179 CG ASP A 22 25.839 -15.305 -5.972 1.00 0.57 -ATOM 180 OD1 ASP A 22 25.776 -14.118 -6.360 1.00 1.33 -ATOM 181 OD2 ASP A 22 26.408 -15.617 -4.899 1.00 1.30 -ATOM 0 H ASP A 22 25.948 -14.684 -8.197 1.00 0.45 H new -ATOM 0 HA ASP A 22 26.733 -17.358 -7.990 1.00 0.48 H new -ATOM 0 1HB ASP A 22 24.137 -16.085 -7.015 1.00 0.43 H new -ATOM 0 2HB ASP A 22 25.127 -17.312 -6.214 1.00 0.43 H new -ATOM 182 N GLY A 23 24.185 -16.578 -9.794 1.00 0.45 -ATOM 183 CA GLY A 23 23.119 -17.079 -10.639 1.00 0.47 -ATOM 184 C GLY A 23 21.943 -17.487 -9.784 1.00 0.41 -ATOM 185 O GLY A 23 21.190 -18.415 -10.114 1.00 0.39 -ATOM 0 H GLY A 23 24.319 -15.588 -9.837 1.00 0.45 H new -ATOM 0 1HA GLY A 23 22.812 -16.305 -11.358 1.00 0.47 H new -ATOM 0 2HA GLY A 23 23.475 -17.939 -11.225 1.00 0.47 H new -ATOM 186 N ASP A 24 21.810 -16.797 -8.670 1.00 0.38 -ATOM 187 CA ASP A 24 20.770 -17.058 -7.673 1.00 0.32 -ATOM 188 C ASP A 24 19.516 -16.297 -8.039 1.00 0.28 -ATOM 189 O ASP A 24 18.397 -16.719 -7.730 1.00 0.25 -ATOM 190 CB ASP A 24 21.253 -16.619 -6.265 1.00 0.31 -ATOM 191 CG ASP A 24 20.264 -16.911 -5.143 1.00 0.29 -ATOM 192 OD1 ASP A 24 20.375 -17.972 -4.503 1.00 1.09 -ATOM 193 OD2 ASP A 24 19.406 -16.051 -4.838 1.00 1.19 -ATOM 0 H ASP A 24 22.415 -16.040 -8.425 1.00 0.38 H new -ATOM 0 HA ASP A 24 20.555 -18.137 -7.655 1.00 0.32 H new -ATOM 0 1HB ASP A 24 22.203 -17.127 -6.042 1.00 0.31 H new -ATOM 0 2HB ASP A 24 21.461 -15.539 -6.282 1.00 0.31 H new -ATOM 194 N GLY A 25 19.697 -15.210 -8.751 1.00 0.29 -ATOM 195 CA GLY A 25 18.595 -14.362 -9.068 1.00 0.26 -ATOM 196 C GLY A 25 18.467 -13.224 -8.080 1.00 0.22 -ATOM 197 O GLY A 25 17.436 -12.549 -8.036 1.00 0.21 -ATOM 0 H GLY A 25 20.580 -14.907 -9.109 1.00 0.29 H new -ATOM 0 1HA GLY A 25 18.723 -13.956 -10.082 1.00 0.26 H new -ATOM 0 2HA GLY A 25 17.666 -14.952 -9.072 1.00 0.26 H new -ATOM 198 N THR A 26 19.505 -13.002 -7.286 1.00 0.20 -ATOM 199 CA THR A 26 19.483 -11.978 -6.291 1.00 0.17 -ATOM 200 C THR A 26 20.778 -11.179 -6.304 1.00 0.15 -ATOM 201 O THR A 26 21.737 -11.523 -6.999 1.00 0.15 -ATOM 202 CB THR A 26 19.288 -12.563 -4.863 1.00 0.18 -ATOM 203 OG1 THR A 26 20.266 -13.575 -4.596 1.00 0.18 -ATOM 204 CG2 THR A 26 17.899 -13.136 -4.645 1.00 0.20 -ATOM 0 H THR A 26 20.358 -13.522 -7.324 1.00 0.20 H new -ATOM 0 HA THR A 26 18.632 -11.325 -6.535 1.00 0.17 H new -ATOM 0 HB THR A 26 19.415 -11.723 -4.165 1.00 0.18 H new -ATOM 0 HG1 THR A 26 19.918 -14.463 -4.896 1.00 0.18 H new -ATOM 0 1HG2 THR A 26 17.822 -13.533 -3.622 1.00 0.20 H new -ATOM 0 2HG2 THR A 26 17.149 -12.345 -4.788 1.00 0.20 H new -ATOM 0 3HG2 THR A 26 17.719 -13.946 -5.367 1.00 0.20 H new -ATOM 205 N ILE A 27 20.771 -10.126 -5.549 1.00 0.14 -ATOM 206 CA ILE A 27 21.925 -9.300 -5.277 1.00 0.12 -ATOM 207 C ILE A 27 21.906 -9.030 -3.817 1.00 0.12 -ATOM 208 O ILE A 27 20.995 -9.467 -3.099 1.00 0.13 -ATOM 209 CB ILE A 27 21.961 -7.890 -5.993 1.00 0.11 -ATOM 210 CG1 ILE A 27 20.763 -7.000 -5.573 1.00 0.10 -ATOM 211 CG2 ILE A 27 22.010 -8.053 -7.497 1.00 0.11 -ATOM 212 CD1 ILE A 27 20.921 -5.505 -5.814 1.00 0.09 -ATOM 0 H ILE A 27 19.944 -9.803 -5.089 1.00 0.14 H new -ATOM 0 HA ILE A 27 22.797 -9.854 -5.655 1.00 0.12 H new -ATOM 0 HB ILE A 27 22.879 -7.379 -5.668 1.00 0.11 H new -ATOM 0 1HG1 ILE A 27 19.869 -7.345 -6.114 1.00 0.10 H new -ATOM 0 2HG1 ILE A 27 20.572 -7.160 -4.501 1.00 0.10 H new -ATOM 0 1HG2 ILE A 27 22.034 -7.062 -7.973 1.00 0.11 H new -ATOM 0 2HG2 ILE A 27 22.913 -8.616 -7.776 1.00 0.11 H new -ATOM 0 3HG2 ILE A 27 21.118 -8.600 -7.836 1.00 0.11 H new -ATOM 0 1HD1 ILE A 27 20.014 -4.981 -5.479 1.00 0.09 H new -ATOM 0 2HD1 ILE A 27 21.789 -5.132 -5.250 1.00 0.09 H new -ATOM 0 3HD1 ILE A 27 21.075 -5.320 -6.887 1.00 0.09 H new -ATOM 213 N THR A 28 22.839 -8.303 -3.390 1.00 0.13 -ATOM 214 CA THR A 28 22.915 -7.901 -2.045 1.00 0.13 -ATOM 215 C THR A 28 22.500 -6.453 -1.967 1.00 0.10 -ATOM 216 O THR A 28 22.493 -5.739 -2.982 1.00 0.09 -ATOM 217 CB THR A 28 24.338 -8.002 -1.519 1.00 0.16 -ATOM 218 OG1 THR A 28 25.182 -7.091 -2.234 1.00 0.16 -ATOM 219 CG2 THR A 28 24.888 -9.376 -1.690 1.00 0.19 -ATOM 0 H THR A 28 23.584 -7.962 -3.963 1.00 0.13 H new -ATOM 0 HA THR A 28 22.264 -8.553 -1.445 1.00 0.13 H new -ATOM 0 HB THR A 28 24.313 -7.756 -0.447 1.00 0.16 H new -ATOM 0 HG1 THR A 28 25.319 -7.425 -3.167 1.00 0.16 H new -ATOM 0 1HG2 THR A 28 25.916 -9.411 -1.300 1.00 0.19 H new -ATOM 0 2HG2 THR A 28 24.262 -10.093 -1.139 1.00 0.19 H new -ATOM 0 3HG2 THR A 28 24.893 -9.639 -2.758 1.00 0.19 H new -ATOM 220 N THR A 29 22.183 -6.007 -0.801 1.00 0.11 -ATOM 221 CA THR A 29 21.833 -4.633 -0.587 1.00 0.10 -ATOM 222 C THR A 29 23.041 -3.696 -0.745 1.00 0.14 -ATOM 223 O THR A 29 22.892 -2.505 -1.039 1.00 0.16 -ATOM 224 CB THR A 29 21.201 -4.483 0.783 1.00 0.11 -ATOM 225 OG1 THR A 29 21.968 -5.269 1.709 1.00 0.11 -ATOM 226 CG2 THR A 29 19.754 -4.956 0.792 1.00 0.15 -ATOM 0 H THR A 29 22.158 -6.572 0.024 1.00 0.11 H new -ATOM 0 HA THR A 29 21.107 -4.337 -1.359 1.00 0.10 H new -ATOM 0 HB THR A 29 21.201 -3.420 1.064 1.00 0.11 H new -ATOM 0 HG1 THR A 29 21.573 -5.187 2.624 1.00 0.11 H new -ATOM 0 1HG2 THR A 29 19.333 -4.831 1.801 1.00 0.15 H new -ATOM 0 2HG2 THR A 29 19.169 -4.362 0.075 1.00 0.15 H new -ATOM 0 3HG2 THR A 29 19.713 -6.018 0.507 1.00 0.15 H new -ATOM 227 N LYS A 30 24.211 -4.242 -0.565 1.00 0.15 -ATOM 228 CA LYS A 30 25.443 -3.502 -0.714 1.00 0.18 -ATOM 229 C LYS A 30 25.723 -3.157 -2.161 1.00 0.14 -ATOM 230 O LYS A 30 26.282 -2.107 -2.461 1.00 0.13 -ATOM 231 CB LYS A 30 26.613 -4.283 -0.139 1.00 0.25 -ATOM 232 CG LYS A 30 26.493 -4.561 1.339 1.00 0.24 -ATOM 233 CD LYS A 30 27.665 -5.367 1.830 1.00 0.18 -ATOM 234 CE LYS A 30 27.584 -5.609 3.317 1.00 0.76 -ATOM 235 NZ LYS A 30 28.721 -6.407 3.795 1.00 0.90 -ATOM 0 H LYS A 30 24.340 -5.201 -0.314 1.00 0.15 H new -ATOM 0 HA LYS A 30 25.323 -2.562 -0.155 1.00 0.18 H new -ATOM 0 1HB LYS A 30 26.703 -5.239 -0.676 1.00 0.25 H new -ATOM 0 2HB LYS A 30 27.541 -3.722 -0.323 1.00 0.25 H new -ATOM 0 1HG LYS A 30 26.438 -3.612 1.892 1.00 0.24 H new -ATOM 0 2HG LYS A 30 25.558 -5.105 1.540 1.00 0.24 H new -ATOM 0 1HD LYS A 30 27.697 -6.331 1.301 1.00 0.18 H new -ATOM 0 2HD LYS A 30 28.600 -4.839 1.593 1.00 0.18 H new -ATOM 0 1HE LYS A 30 27.562 -4.645 3.846 1.00 0.76 H new -ATOM 0 2HE LYS A 30 26.644 -6.128 3.555 1.00 0.76 H new -ATOM 0 1HZ LYS A 30 28.638 -6.549 4.781 1.00 0.90 H + new -ATOM 0 2HZ LYS A 30 28.726 -7.292 3.330 1.00 0.90 H + new -ATOM 0 3HZ LYS A 30 29.574 -5.923 3.599 1.00 0.90 H + new -ATOM 236 N GLU A 31 25.318 -4.009 -3.065 1.00 0.13 -ATOM 237 CA GLU A 31 25.650 -3.763 -4.490 1.00 0.10 -ATOM 238 C GLU A 31 24.577 -2.977 -5.186 1.00 0.08 -ATOM 239 O GLU A 31 24.745 -2.592 -6.336 1.00 0.02 -ATOM 240 CB GLU A 31 25.886 -5.063 -5.220 1.00 0.12 -ATOM 241 CG GLU A 31 26.930 -5.931 -4.559 1.00 0.16 -ATOM 242 CD GLU A 31 26.871 -7.348 -5.012 1.00 0.20 -ATOM 243 OE1 GLU A 31 25.876 -8.033 -4.686 1.00 0.17 -ATOM 244 OE2 GLU A 31 27.838 -7.824 -5.640 1.00 0.36 -ATOM 0 H GLU A 31 24.789 -4.837 -2.881 1.00 0.13 H new -ATOM 0 HA GLU A 31 26.575 -3.168 -4.506 1.00 0.10 H new -ATOM 0 1HB GLU A 31 24.939 -5.620 -5.281 1.00 0.12 H new -ATOM 0 2HB GLU A 31 26.198 -4.846 -6.252 1.00 0.12 H new -ATOM 0 1HG GLU A 31 27.929 -5.523 -4.773 1.00 0.16 H new -ATOM 0 2HG GLU A 31 26.795 -5.893 -3.468 1.00 0.16 H new -ATOM 245 N LEU A 32 23.492 -2.706 -4.476 1.00 0.15 -ATOM 246 CA LEU A 32 22.342 -1.982 -5.029 1.00 0.15 -ATOM 247 C LEU A 32 22.705 -0.675 -5.638 1.00 0.17 -ATOM 248 O LEU A 32 22.197 -0.289 -6.696 1.00 0.20 -ATOM 249 CB LEU A 32 21.282 -1.806 -3.976 1.00 0.21 -ATOM 250 CG LEU A 32 19.948 -1.279 -4.477 1.00 0.26 -ATOM 251 CD1 LEU A 32 19.418 -2.111 -5.632 1.00 0.28 -ATOM 252 CD2 LEU A 32 18.972 -1.298 -3.364 1.00 0.29 -ATOM 0 H LEU A 32 23.380 -2.974 -3.519 1.00 0.15 H new -ATOM 0 HA LEU A 32 21.945 -2.599 -5.848 1.00 0.15 H new -ATOM 0 1HB LEU A 32 21.113 -2.775 -3.485 1.00 0.21 H new -ATOM 0 2HB LEU A 32 21.663 -1.118 -3.207 1.00 0.21 H new -ATOM 0 HG LEU A 32 20.095 -0.251 -4.841 1.00 0.26 H new -ATOM 0 1HD1 LEU A 32 18.454 -1.701 -5.968 1.00 0.28 H new -ATOM 0 2HD1 LEU A 32 20.137 -2.084 -6.464 1.00 0.28 H new -ATOM 0 3HD1 LEU A 32 19.279 -3.151 -5.302 1.00 0.28 H new -ATOM 0 1HD2 LEU A 32 18.003 -0.918 -3.719 1.00 0.29 H new -ATOM 0 2HD2 LEU A 32 18.850 -2.329 -3.000 1.00 0.29 H new -ATOM 0 3HD2 LEU A 32 19.337 -0.662 -2.544 1.00 0.29 H new -ATOM 253 N GLY A 33 23.601 -0.056 -5.004 1.00 0.23 -ATOM 254 CA GLY A 33 24.093 1.228 -5.432 1.00 0.28 -ATOM 255 C GLY A 33 24.773 1.120 -6.759 1.00 0.24 -ATOM 256 O GLY A 33 24.454 1.853 -7.688 1.00 0.32 -ATOM 0 H GLY A 33 24.031 -0.403 -4.170 1.00 0.23 H new -ATOM 0 1HA GLY A 33 23.259 1.942 -5.499 1.00 0.28 H new -ATOM 0 2HA GLY A 33 24.797 1.624 -4.685 1.00 0.28 H new -ATOM 257 N THR A 34 25.638 0.136 -6.876 1.00 0.16 -ATOM 258 CA THR A 34 26.394 -0.085 -8.072 1.00 0.15 -ATOM 259 C THR A 34 25.476 -0.530 -9.248 1.00 0.17 -ATOM 260 O THR A 34 25.715 -0.168 -10.406 1.00 0.24 -ATOM 261 CB THR A 34 27.487 -1.121 -7.769 1.00 0.09 -ATOM 262 OG1 THR A 34 28.162 -0.708 -6.562 1.00 0.03 -ATOM 263 CG2 THR A 34 28.503 -1.183 -8.890 1.00 0.18 -ATOM 0 H THR A 34 25.828 -0.521 -6.147 1.00 0.16 H new -ATOM 0 HA THR A 34 26.867 0.854 -8.395 1.00 0.15 H new -ATOM 0 HB THR A 34 27.026 -2.114 -7.660 1.00 0.09 H new -ATOM 0 HG1 THR A 34 28.880 -1.367 -6.339 1.00 0.03 H new -ATOM 0 1HG2 THR A 34 29.272 -1.931 -8.647 1.00 0.18 H new -ATOM 0 2HG2 THR A 34 28.000 -1.466 -9.826 1.00 0.18 H new -ATOM 0 3HG2 THR A 34 28.976 -0.197 -9.012 1.00 0.18 H new -ATOM 264 N VAL A 35 24.405 -1.261 -8.924 1.00 0.12 -ATOM 265 CA VAL A 35 23.430 -1.731 -9.929 1.00 0.14 -ATOM 266 C VAL A 35 22.640 -0.545 -10.484 1.00 0.16 -ATOM 267 O VAL A 35 22.436 -0.408 -11.697 1.00 0.18 -ATOM 268 CB VAL A 35 22.415 -2.744 -9.333 1.00 0.13 -ATOM 269 CG1 VAL A 35 21.477 -3.268 -10.399 1.00 0.13 -ATOM 270 CG2 VAL A 35 23.099 -3.888 -8.624 1.00 0.13 -ATOM 0 H VAL A 35 24.190 -1.539 -7.988 1.00 0.12 H new -ATOM 0 HA VAL A 35 24.007 -2.230 -10.722 1.00 0.14 H new -ATOM 0 HB VAL A 35 21.825 -2.197 -8.583 1.00 0.13 H new -ATOM 0 1HG1 VAL A 35 20.771 -3.982 -9.949 1.00 0.13 H new -ATOM 0 2HG1 VAL A 35 20.918 -2.430 -10.841 1.00 0.13 H new -ATOM 0 3HG1 VAL A 35 22.059 -3.774 -11.183 1.00 0.13 H new -ATOM 0 1HG2 VAL A 35 22.341 -4.576 -8.221 1.00 0.13 H new -ATOM 0 2HG2 VAL A 35 23.743 -4.428 -9.334 1.00 0.13 H new -ATOM 0 3HG2 VAL A 35 23.712 -3.495 -7.800 1.00 0.13 H new -ATOM 271 N MET A 36 22.192 0.295 -9.596 1.00 0.15 -ATOM 272 CA MET A 36 21.495 1.443 -9.918 1.00 0.17 -ATOM 273 C MET A 36 22.383 2.397 -10.713 1.00 0.17 -ATOM 274 O MET A 36 21.944 3.014 -11.684 1.00 0.09 -ATOM 275 CB MET A 36 21.087 2.011 -8.620 1.00 0.16 -ATOM 276 CG MET A 36 19.776 1.487 -8.080 1.00 0.16 -ATOM 277 SD MET A 36 18.350 2.096 -8.991 1.00 1.04 -ATOM 278 CE MET A 36 17.025 1.333 -8.069 1.00 0.33 -ATOM 0 H MET A 36 22.321 0.169 -8.612 1.00 0.15 H new -ATOM 0 HA MET A 36 20.621 1.250 -10.558 1.00 0.17 H new -ATOM 0 1HB MET A 36 21.878 1.808 -7.883 1.00 0.16 H new -ATOM 0 2HB MET A 36 21.014 3.104 -8.721 1.00 0.16 H new -ATOM 0 1HG MET A 36 19.784 0.388 -8.114 1.00 0.16 H new -ATOM 0 2HG MET A 36 19.680 1.775 -7.023 1.00 0.16 H new -ATOM 0 1HE MET A 36 16.082 1.861 -8.276 1.00 0.33 H new -ATOM 0 2HE MET A 36 16.928 0.279 -8.369 1.00 0.33 H new -ATOM 0 3HE MET A 36 17.247 1.388 -6.993 1.00 0.33 H new -ATOM 279 N ARG A 37 23.639 2.484 -10.310 1.00 0.27 -ATOM 280 CA ARG A 37 24.642 3.269 -11.032 1.00 0.28 -ATOM 281 C ARG A 37 24.820 2.794 -12.469 1.00 0.27 -ATOM 282 O ARG A 37 24.941 3.614 -13.378 1.00 0.28 -ATOM 283 CB ARG A 37 25.995 3.311 -10.304 1.00 0.38 -ATOM 284 CG ARG A 37 26.016 4.160 -9.037 1.00 0.41 -ATOM 285 CD ARG A 37 25.681 5.610 -9.342 1.00 1.15 -ATOM 286 NE ARG A 37 26.570 6.163 -10.367 1.00 1.26 -ATOM 287 CZ ARG A 37 26.202 6.961 -11.382 1.00 2.49 -ATOM 288 NH1 ARG A 37 24.917 7.244 -11.598 1.00 3.70 -ATOM 289 NH2 ARG A 37 27.116 7.423 -12.215 1.00 2.60 -ATOM 0 H ARG A 37 23.990 2.026 -9.494 1.00 0.27 H new -ATOM 0 HA ARG A 37 24.251 4.297 -11.062 1.00 0.28 H new -ATOM 0 1HB ARG A 37 26.287 2.283 -10.044 1.00 0.38 H new -ATOM 0 2HB ARG A 37 26.757 3.696 -10.998 1.00 0.38 H new -ATOM 0 1HG ARG A 37 25.294 3.759 -8.311 1.00 0.41 H new -ATOM 0 2HG ARG A 37 27.010 4.101 -8.569 1.00 0.41 H new -ATOM 0 1HD ARG A 37 24.637 5.683 -9.682 1.00 1.15 H new -ATOM 0 2HD ARG A 37 25.763 6.208 -8.422 1.00 1.15 H new -ATOM 0 HE ARG A 37 27.539 5.924 -10.305 1.00 1.26 H + new -ATOM 0 1HH1 ARG A 37 24.213 6.860 -11.000 1.00 3.70 H + new -ATOM 0 2HH1 ARG A 37 24.657 7.840 -12.358 1.00 3.70 H + new -ATOM 0 1HH2 ARG A 37 28.077 7.178 -12.088 1.00 2.60 H + new -ATOM 0 2HH2 ARG A 37 26.847 8.018 -12.973 1.00 2.60 H + new -ATOM 290 N SER A 38 24.790 1.487 -12.688 1.00 0.28 -ATOM 291 CA SER A 38 24.901 0.961 -14.045 1.00 0.30 -ATOM 292 C SER A 38 23.656 1.280 -14.898 1.00 0.24 -ATOM 293 O SER A 38 23.695 1.231 -16.129 1.00 0.27 -ATOM 294 CB SER A 38 25.268 -0.536 -14.056 1.00 0.33 -ATOM 295 OG SER A 38 24.518 -1.290 -13.121 1.00 0.30 -ATOM 0 H SER A 38 24.694 0.794 -11.973 1.00 0.28 H new -ATOM 0 HA SER A 38 25.740 1.486 -14.525 1.00 0.30 H new -ATOM 0 1HB SER A 38 25.103 -0.942 -15.065 1.00 0.33 H new -ATOM 0 2HB SER A 38 26.340 -0.648 -13.835 1.00 0.33 H new -ATOM 0 HG SER A 38 23.657 -0.820 -12.928 1.00 0.30 H new -ATOM 296 N LEU A 39 22.575 1.620 -14.237 1.00 0.19 -ATOM 297 CA LEU A 39 21.344 2.031 -14.910 1.00 0.17 -ATOM 298 C LEU A 39 21.248 3.552 -15.059 1.00 0.15 -ATOM 299 O LEU A 39 20.279 4.063 -15.601 1.00 0.16 -ATOM 300 CB LEU A 39 20.121 1.502 -14.168 1.00 0.15 -ATOM 301 CG LEU A 39 19.956 -0.010 -14.171 1.00 0.14 -ATOM 302 CD1 LEU A 39 18.806 -0.417 -13.283 1.00 0.16 -ATOM 303 CD2 LEU A 39 19.734 -0.520 -15.591 1.00 0.12 -ATOM 0 H LEU A 39 22.515 1.623 -13.239 1.00 0.19 H new -ATOM 0 HA LEU A 39 21.371 1.597 -15.920 1.00 0.17 H new -ATOM 0 1HB LEU A 39 20.170 1.846 -13.124 1.00 0.15 H new -ATOM 0 2HB LEU A 39 19.221 1.952 -14.613 1.00 0.15 H new -ATOM 0 HG LEU A 39 20.879 -0.460 -13.778 1.00 0.14 H new -ATOM 0 1HD1 LEU A 39 18.701 -1.512 -13.297 1.00 0.16 H new -ATOM 0 2HD1 LEU A 39 19.000 -0.081 -12.254 1.00 0.16 H new -ATOM 0 3HD1 LEU A 39 17.877 0.045 -13.650 1.00 0.16 H new -ATOM 0 1HD2 LEU A 39 19.617 -1.614 -15.574 1.00 0.12 H new -ATOM 0 2HD2 LEU A 39 18.826 -0.061 -16.008 1.00 0.12 H new -ATOM 0 3HD2 LEU A 39 20.599 -0.254 -16.216 1.00 0.12 H new -ATOM 304 N GLY A 40 22.243 4.272 -14.580 1.00 0.15 -ATOM 305 CA GLY A 40 22.223 5.722 -14.704 1.00 0.13 -ATOM 306 C GLY A 40 21.491 6.400 -13.558 1.00 0.10 -ATOM 307 O GLY A 40 21.119 7.570 -13.647 1.00 0.14 -ATOM 0 H GLY A 40 23.047 3.897 -14.118 1.00 0.15 H new -ATOM 0 1HA GLY A 40 23.257 6.096 -14.746 1.00 0.13 H new -ATOM 0 2HA GLY A 40 21.743 5.998 -15.654 1.00 0.13 H new -ATOM 308 N GLN A 41 21.281 5.673 -12.491 1.00 0.15 -ATOM 309 CA GLN A 41 20.640 6.215 -11.312 1.00 0.21 -ATOM 310 C GLN A 41 21.724 6.590 -10.339 1.00 0.31 -ATOM 311 O GLN A 41 22.777 5.949 -10.327 1.00 0.38 -ATOM 312 CB GLN A 41 19.742 5.166 -10.661 1.00 0.10 -ATOM 313 CG GLN A 41 18.567 4.689 -11.499 1.00 0.14 -ATOM 314 CD GLN A 41 17.573 5.789 -11.792 1.00 0.93 -ATOM 315 OE1 GLN A 41 16.665 6.039 -10.995 1.00 2.04 -ATOM 316 NE2 GLN A 41 17.694 6.414 -12.933 1.00 1.06 -ATOM 0 H GLN A 41 21.542 4.711 -12.412 1.00 0.15 H new -ATOM 0 HA GLN A 41 20.025 7.084 -11.589 1.00 0.21 H new -ATOM 0 1HB GLN A 41 20.359 4.294 -10.400 1.00 0.10 H new -ATOM 0 2HB GLN A 41 19.352 5.578 -9.719 1.00 0.10 H new -ATOM 0 1HG GLN A 41 18.942 4.278 -12.448 1.00 0.14 H new -ATOM 0 2HG GLN A 41 18.056 3.869 -10.973 1.00 0.14 H new -ATOM 0 1HE2 GLN A 41 17.037 7.124 -13.187 1.00 1.06 H new -ATOM 0 2HE2 GLN A 41 18.444 6.183 -13.553 1.00 1.06 H new -ATOM 317 N ASN A 42 21.529 7.610 -9.556 1.00 0.41 -ATOM 318 CA ASN A 42 22.517 7.947 -8.559 1.00 0.52 -ATOM 319 C ASN A 42 21.889 8.256 -7.217 1.00 0.48 -ATOM 320 O ASN A 42 21.566 9.403 -6.922 1.00 0.63 -ATOM 321 CB ASN A 42 23.438 9.081 -9.009 1.00 0.77 -ATOM 322 CG ASN A 42 24.540 9.381 -7.985 1.00 0.92 -ATOM 323 OD1 ASN A 42 25.590 8.742 -7.977 1.00 1.92 -ATOM 324 ND2 ASN A 42 24.330 10.368 -7.153 1.00 0.62 -ATOM 0 H ASN A 42 20.727 8.206 -9.581 1.00 0.41 H new -ATOM 0 HA ASN A 42 23.142 7.050 -8.435 1.00 0.52 H new -ATOM 0 1HB ASN A 42 23.899 8.815 -9.972 1.00 0.77 H new -ATOM 0 2HB ASN A 42 22.841 9.989 -9.178 1.00 0.77 H new -ATOM 0 1HD2 ASN A 42 25.033 10.620 -6.488 1.00 0.62 H new -ATOM 0 2HD2 ASN A 42 23.466 10.871 -7.182 1.00 0.62 H new -ATOM 325 N PRO A 43 21.600 7.229 -6.435 1.00 0.31 -ATOM 326 CA PRO A 43 21.169 7.385 -5.073 1.00 0.32 -ATOM 327 C PRO A 43 22.355 7.180 -4.113 1.00 0.34 -ATOM 328 O PRO A 43 23.182 6.273 -4.311 1.00 0.32 -ATOM 329 CB PRO A 43 20.144 6.251 -4.908 1.00 0.27 -ATOM 330 CG PRO A 43 20.423 5.272 -6.029 1.00 0.20 -ATOM 331 CD PRO A 43 21.582 5.817 -6.827 1.00 0.19 -ATOM 0 HA PRO A 43 20.758 8.381 -4.852 1.00 0.32 H new -ATOM 0 1HB PRO A 43 20.248 5.766 -3.926 1.00 0.27 H new -ATOM 0 2HB PRO A 43 19.116 6.637 -4.969 1.00 0.27 H new -ATOM 0 1HG PRO A 43 20.665 4.278 -5.624 1.00 0.20 H new -ATOM 0 2HG PRO A 43 19.536 5.152 -6.668 1.00 0.20 H new -ATOM 0 1HD PRO A 43 22.526 5.310 -6.577 1.00 0.19 H new -ATOM 0 2HD PRO A 43 21.428 5.694 -7.909 1.00 0.19 H new -ATOM 332 N THR A 44 22.476 8.016 -3.117 1.00 0.40 -ATOM 333 CA THR A 44 23.532 7.835 -2.145 1.00 0.44 -ATOM 334 C THR A 44 23.178 6.679 -1.222 1.00 0.39 -ATOM 335 O THR A 44 22.027 6.212 -1.221 1.00 0.37 -ATOM 336 CB THR A 44 23.760 9.096 -1.294 1.00 0.51 -ATOM 337 OG1 THR A 44 22.532 9.469 -0.632 1.00 0.46 -ATOM 338 CG2 THR A 44 24.265 10.254 -2.145 1.00 0.64 -ATOM 0 H THR A 44 21.881 8.803 -2.957 1.00 0.40 H new -ATOM 0 HA THR A 44 24.458 7.625 -2.700 1.00 0.44 H new -ATOM 0 HB THR A 44 24.529 8.867 -0.541 1.00 0.51 H new -ATOM 0 HG1 THR A 44 21.909 9.885 -1.294 1.00 0.46 H new -ATOM 0 1HG2 THR A 44 24.418 11.138 -1.509 1.00 0.64 H new -ATOM 0 2HG2 THR A 44 25.218 9.974 -2.618 1.00 0.64 H new -ATOM 0 3HG2 THR A 44 23.524 10.487 -2.924 1.00 0.64 H new -ATOM 339 N GLU A 45 24.128 6.236 -0.430 1.00 0.38 -ATOM 340 CA GLU A 45 23.898 5.158 0.499 1.00 0.34 -ATOM 341 C GLU A 45 22.801 5.465 1.505 1.00 0.33 -ATOM 342 O GLU A 45 22.046 4.588 1.859 1.00 0.27 -ATOM 343 CB GLU A 45 25.168 4.713 1.187 1.00 0.40 -ATOM 344 CG GLU A 45 26.134 4.001 0.265 1.00 0.33 -ATOM 345 CD GLU A 45 27.212 3.282 1.017 1.00 0.97 -ATOM 346 OE1 GLU A 45 26.955 2.159 1.500 1.00 1.45 -ATOM 347 OE2 GLU A 45 28.333 3.802 1.133 1.00 1.52 -ATOM 0 H GLU A 45 25.058 6.604 -0.413 1.00 0.38 H new -ATOM 0 HA GLU A 45 23.540 4.314 -0.109 1.00 0.34 H new -ATOM 0 1HB GLU A 45 25.668 5.591 1.622 1.00 0.40 H new -ATOM 0 2HB GLU A 45 24.909 4.045 2.021 1.00 0.40 H new -ATOM 0 1HG GLU A 45 25.581 3.281 -0.357 1.00 0.33 H new -ATOM 0 2HG GLU A 45 26.591 4.732 -0.418 1.00 0.33 H new -ATOM 348 N ALA A 46 22.685 6.705 1.932 1.00 0.40 -ATOM 349 CA ALA A 46 21.619 7.058 2.861 1.00 0.39 -ATOM 350 C ALA A 46 20.263 6.964 2.181 1.00 0.34 -ATOM 351 O ALA A 46 19.284 6.497 2.793 1.00 0.31 -ATOM 352 CB ALA A 46 21.842 8.419 3.502 1.00 0.49 -ATOM 0 H ALA A 46 23.286 7.459 1.667 1.00 0.40 H new -ATOM 0 HA ALA A 46 21.636 6.326 3.682 1.00 0.39 H new -ATOM 0 1HB ALA A 46 21.014 8.640 4.192 1.00 0.49 H new -ATOM 0 2HB ALA A 46 22.791 8.412 4.058 1.00 0.49 H new -ATOM 0 3HB ALA A 46 21.882 9.191 2.720 1.00 0.49 H new -ATOM 353 N GLU A 47 20.210 7.362 0.907 1.00 0.36 -ATOM 354 CA GLU A 47 18.991 7.216 0.123 1.00 0.35 -ATOM 355 C GLU A 47 18.675 5.738 -0.046 1.00 0.26 -ATOM 356 O GLU A 47 17.532 5.318 0.122 1.00 0.26 -ATOM 357 CB GLU A 47 19.128 7.873 -1.244 1.00 0.39 -ATOM 358 CG GLU A 47 19.286 9.364 -1.207 1.00 0.48 -ATOM 359 CD GLU A 47 19.634 9.898 -2.553 1.00 0.29 -ATOM 360 OE1 GLU A 47 20.831 10.197 -2.783 1.00 0.96 -ATOM 361 OE2 GLU A 47 18.749 9.987 -3.419 1.00 1.24 -ATOM 0 H GLU A 47 20.976 7.775 0.414 1.00 0.36 H new -ATOM 0 HA GLU A 47 18.172 7.718 0.659 1.00 0.35 H new -ATOM 0 1HB GLU A 47 19.997 7.438 -1.760 1.00 0.39 H new -ATOM 0 2HB GLU A 47 18.240 7.626 -1.845 1.00 0.39 H new -ATOM 0 1HG GLU A 47 18.352 9.827 -0.855 1.00 0.48 H new -ATOM 0 2HG GLU A 47 20.071 9.636 -0.486 1.00 0.48 H new -ATOM 362 N LEU A 48 19.717 4.955 -0.316 1.00 0.20 -ATOM 363 CA LEU A 48 19.605 3.520 -0.499 1.00 0.11 -ATOM 364 C LEU A 48 19.121 2.871 0.756 1.00 0.07 -ATOM 365 O LEU A 48 18.205 2.102 0.708 1.00 0.13 -ATOM 366 CB LEU A 48 20.950 2.901 -0.882 1.00 0.09 -ATOM 367 CG LEU A 48 21.482 3.184 -2.285 1.00 0.18 -ATOM 368 CD1 LEU A 48 22.883 2.618 -2.434 1.00 0.25 -ATOM 369 CD2 LEU A 48 20.569 2.567 -3.334 1.00 0.35 -ATOM 0 H LEU A 48 20.651 5.300 -0.412 1.00 0.20 H new -ATOM 0 HA LEU A 48 18.885 3.350 -1.313 1.00 0.11 H new -ATOM 0 1HB LEU A 48 21.702 3.248 -0.158 1.00 0.09 H new -ATOM 0 2HB LEU A 48 20.868 1.810 -0.764 1.00 0.09 H new -ATOM 0 HG LEU A 48 21.511 4.274 -2.433 1.00 0.18 H new -ATOM 0 1HD1 LEU A 48 23.257 2.827 -3.447 1.00 0.25 H new -ATOM 0 2HD1 LEU A 48 23.549 3.086 -1.694 1.00 0.25 H new -ATOM 0 3HD1 LEU A 48 22.859 1.531 -2.269 1.00 0.25 H new -ATOM 0 1HD2 LEU A 48 20.966 2.780 -4.337 1.00 0.35 H new -ATOM 0 2HD2 LEU A 48 20.519 1.479 -3.183 1.00 0.35 H new -ATOM 0 3HD2 LEU A 48 19.560 2.996 -3.241 1.00 0.35 H new -ATOM 370 N GLN A 49 19.717 3.216 1.889 1.00 0.09 -ATOM 371 CA GLN A 49 19.347 2.609 3.168 1.00 0.06 -ATOM 372 C GLN A 49 17.878 2.852 3.519 1.00 0.03 -ATOM 373 O GLN A 49 17.243 2.033 4.193 1.00 0.15 -ATOM 374 CB GLN A 49 20.251 3.081 4.299 1.00 0.10 -ATOM 375 CG GLN A 49 21.650 2.500 4.257 1.00 0.15 -ATOM 376 CD GLN A 49 22.526 3.014 5.368 1.00 1.21 -ATOM 377 OE1 GLN A 49 22.045 3.361 6.463 1.00 2.00 -ATOM 378 NE2 GLN A 49 23.798 3.041 5.125 1.00 2.00 -ATOM 0 H GLN A 49 20.445 3.899 1.951 1.00 0.09 H new -ATOM 0 HA GLN A 49 19.487 1.525 3.048 1.00 0.06 H new -ATOM 0 1HB GLN A 49 20.320 4.178 4.265 1.00 0.10 H new -ATOM 0 2HB GLN A 49 19.785 2.818 5.260 1.00 0.10 H new -ATOM 0 1HG GLN A 49 21.589 1.404 4.321 1.00 0.15 H new -ATOM 0 2HG GLN A 49 22.114 2.741 3.289 1.00 0.15 H new -ATOM 0 1HE2 GLN A 49 24.435 3.349 5.831 1.00 2.00 H new -ATOM 0 2HE2 GLN A 49 24.143 2.753 4.231 1.00 2.00 H new -ATOM 379 N ASP A 50 17.338 3.954 3.038 1.00 0.13 -ATOM 380 CA ASP A 50 15.925 4.278 3.265 1.00 0.12 -ATOM 381 C ASP A 50 15.061 3.343 2.443 1.00 0.28 -ATOM 382 O ASP A 50 14.084 2.772 2.926 1.00 0.37 -ATOM 383 CB ASP A 50 15.629 5.730 2.888 1.00 0.28 -ATOM 384 CG ASP A 50 14.177 6.099 3.108 1.00 1.43 -ATOM 385 OD1 ASP A 50 13.384 6.010 2.160 1.00 2.39 -ATOM 386 OD2 ASP A 50 13.825 6.497 4.243 1.00 1.67 -ATOM 0 H ASP A 50 17.837 4.632 2.498 1.00 0.13 H new -ATOM 0 HA ASP A 50 15.699 4.151 4.334 1.00 0.12 H new -ATOM 0 1HB ASP A 50 16.269 6.398 3.483 1.00 0.28 H new -ATOM 0 2HB ASP A 50 15.890 5.892 1.832 1.00 0.28 H new -ATOM 387 N MET A 51 15.476 3.158 1.215 1.00 0.42 -ATOM 388 CA MET A 51 14.889 2.302 0.273 1.00 0.63 -ATOM 389 C MET A 51 14.987 0.854 0.755 1.00 0.65 -ATOM 390 O MET A 51 14.033 0.099 0.668 1.00 0.84 -ATOM 391 CB MET A 51 15.682 2.529 -0.994 1.00 0.80 -ATOM 392 CG MET A 51 15.428 3.857 -1.694 1.00 0.88 -ATOM 393 SD MET A 51 16.614 4.205 -3.029 1.00 2.23 -ATOM 394 CE MET A 51 16.452 2.737 -4.044 1.00 0.36 -ATOM 0 H MET A 51 16.275 3.636 0.851 1.00 0.42 H new -ATOM 0 HA MET A 51 13.819 2.500 0.114 1.00 0.63 H new -ATOM 0 1HB MET A 51 16.753 2.460 -0.753 1.00 0.80 H new -ATOM 0 2HB MET A 51 15.457 1.714 -1.698 1.00 0.80 H new -ATOM 0 1HG MET A 51 14.409 3.856 -2.109 1.00 0.88 H new -ATOM 0 2HG MET A 51 15.472 4.669 -0.953 1.00 0.88 H new -ATOM 0 1HE MET A 51 16.622 2.999 -5.099 1.00 0.36 H new -ATOM 0 2HE MET A 51 17.194 1.989 -3.728 1.00 0.36 H new -ATOM 0 3HE MET A 51 15.440 2.321 -3.929 1.00 0.36 H new -ATOM 395 N ILE A 52 16.147 0.499 1.293 1.00 0.50 -ATOM 396 CA ILE A 52 16.398 -0.822 1.871 1.00 0.57 -ATOM 397 C ILE A 52 15.321 -1.135 2.900 1.00 0.63 -ATOM 398 O ILE A 52 14.725 -2.181 2.868 1.00 0.75 -ATOM 399 CB ILE A 52 17.771 -0.902 2.614 1.00 0.46 -ATOM 400 CG1 ILE A 52 18.954 -0.578 1.715 1.00 0.43 -ATOM 401 CG2 ILE A 52 17.960 -2.231 3.313 1.00 0.54 -ATOM 402 CD1 ILE A 52 19.037 -1.341 0.442 1.00 0.33 -ATOM 0 H ILE A 52 16.935 1.112 1.342 1.00 0.50 H new -ATOM 0 HA ILE A 52 16.399 -1.536 1.034 1.00 0.57 H new -ATOM 0 HB ILE A 52 17.740 -0.119 3.386 1.00 0.46 H new -ATOM 0 1HG1 ILE A 52 18.922 0.495 1.474 1.00 0.43 H new -ATOM 0 2HG1 ILE A 52 19.879 -0.752 2.284 1.00 0.43 H new -ATOM 0 1HG2 ILE A 52 18.936 -2.243 3.821 1.00 0.54 H new -ATOM 0 2HG2 ILE A 52 17.160 -2.373 4.054 1.00 0.54 H new -ATOM 0 3HG2 ILE A 52 17.922 -3.044 2.573 1.00 0.54 H new -ATOM 0 1HD1 ILE A 52 19.927 -1.022 -0.120 1.00 0.33 H new -ATOM 0 2HD1 ILE A 52 19.108 -2.416 0.662 1.00 0.33 H new -ATOM 0 3HD1 ILE A 52 18.137 -1.150 -0.160 1.00 0.33 H new -ATOM 403 N ASN A 53 15.067 -0.177 3.770 1.00 0.54 -ATOM 404 CA ASN A 53 14.098 -0.311 4.868 1.00 0.63 -ATOM 405 C ASN A 53 12.727 -0.676 4.376 1.00 0.75 -ATOM 406 O ASN A 53 12.007 -1.452 5.012 1.00 0.88 -ATOM 407 CB ASN A 53 14.058 0.970 5.709 1.00 0.49 -ATOM 408 CG ASN A 53 13.181 0.852 6.956 1.00 0.51 -ATOM 409 OD1 ASN A 53 13.641 0.422 8.017 1.00 1.05 -ATOM 410 ND2 ASN A 53 11.946 1.280 6.858 1.00 1.06 -ATOM 0 H ASN A 53 15.519 0.715 3.744 1.00 0.54 H new -ATOM 0 HA ASN A 53 14.438 -1.140 5.506 1.00 0.63 H new -ATOM 0 1HB ASN A 53 15.082 1.231 6.014 1.00 0.49 H new -ATOM 0 2HB ASN A 53 13.687 1.797 5.086 1.00 0.49 H new -ATOM 0 1HD2 ASN A 53 11.346 1.264 7.658 1.00 1.06 H new -ATOM 0 2HD2 ASN A 53 11.603 1.623 5.983 1.00 1.06 H new -ATOM 411 N GLU A 54 12.386 -0.153 3.244 1.00 0.73 -ATOM 412 CA GLU A 54 11.155 -0.393 2.660 1.00 0.85 -ATOM 413 C GLU A 54 11.107 -1.779 1.968 1.00 1.02 -ATOM 414 O GLU A 54 10.096 -2.497 2.045 1.00 1.12 -ATOM 415 CB GLU A 54 10.831 0.747 1.690 1.00 0.80 -ATOM 416 CG GLU A 54 9.603 0.465 0.955 1.00 2.85 -ATOM 417 CD GLU A 54 9.142 1.528 -0.027 1.00 2.91 -ATOM 418 OE1 GLU A 54 8.489 2.506 0.390 1.00 2.58 -ATOM 419 OE2 GLU A 54 9.341 1.357 -1.241 1.00 3.68 -ATOM 0 H GLU A 54 12.978 0.455 2.714 1.00 0.73 H new -ATOM 0 HA GLU A 54 10.384 -0.421 3.444 1.00 0.85 H new -ATOM 0 1HB GLU A 54 10.723 1.690 2.247 1.00 0.80 H new -ATOM 0 2HB GLU A 54 11.664 0.883 0.985 1.00 0.80 H new -ATOM 0 1HG GLU A 54 9.740 -0.477 0.404 1.00 2.85 H new -ATOM 0 2HG GLU A 54 8.796 0.296 1.684 1.00 2.85 H new -ATOM 420 N VAL A 55 12.199 -2.168 1.354 1.00 1.06 -ATOM 421 CA VAL A 55 12.222 -3.380 0.539 1.00 1.24 -ATOM 422 C VAL A 55 12.623 -4.602 1.305 1.00 1.26 -ATOM 423 O VAL A 55 11.974 -5.637 1.248 1.00 1.42 -ATOM 424 CB VAL A 55 13.105 -3.243 -0.700 1.00 1.22 -ATOM 425 CG1 VAL A 55 12.890 -4.409 -1.620 1.00 1.33 -ATOM 426 CG2 VAL A 55 12.853 -1.930 -1.389 1.00 1.23 -ATOM 0 H VAL A 55 13.070 -1.679 1.396 1.00 1.06 H new -ATOM 0 HA VAL A 55 11.179 -3.510 0.214 1.00 1.24 H new -ATOM 0 HB VAL A 55 14.161 -3.251 -0.391 1.00 1.22 H new -ATOM 0 1HG1 VAL A 55 13.530 -4.299 -2.508 1.00 1.33 H new -ATOM 0 2HG1 VAL A 55 13.146 -5.342 -1.097 1.00 1.33 H new -ATOM 0 3HG1 VAL A 55 11.835 -4.442 -1.931 1.00 1.33 H new -ATOM 0 1HG2 VAL A 55 13.498 -1.852 -2.277 1.00 1.23 H new -ATOM 0 2HG2 VAL A 55 11.798 -1.873 -1.696 1.00 1.23 H new -ATOM 0 3HG2 VAL A 55 13.079 -1.104 -0.699 1.00 1.23 H new -ATOM 427 N ASP A 56 13.614 -4.441 2.059 1.00 1.13 -ATOM 428 CA ASP A 56 14.206 -5.501 2.843 1.00 1.18 -ATOM 429 C ASP A 56 13.634 -5.346 4.217 1.00 1.34 -ATOM 430 O ASP A 56 14.308 -5.268 5.243 1.00 1.36 -ATOM 431 CB ASP A 56 15.741 -5.420 2.844 1.00 1.00 -ATOM 432 CG ASP A 56 16.378 -6.592 3.566 1.00 1.12 -ATOM 433 OD1 ASP A 56 16.392 -7.713 3.025 1.00 1.82 -ATOM 434 OD2 ASP A 56 16.884 -6.416 4.684 1.00 0.99 -ATOM 0 H ASP A 56 14.071 -3.559 2.174 1.00 1.13 H new -ATOM 0 HA ASP A 56 13.976 -6.492 2.424 1.00 1.18 H new -ATOM 0 1HB ASP A 56 16.105 -5.389 1.806 1.00 1.00 H new -ATOM 0 2HB ASP A 56 16.056 -4.481 3.323 1.00 1.00 H new -ATOM 435 N ALA A 57 12.353 -5.306 4.201 1.00 1.45 -ATOM 436 CA ALA A 57 11.533 -5.030 5.319 1.00 1.61 -ATOM 437 C ALA A 57 11.464 -6.236 6.259 1.00 1.70 -ATOM 438 O ALA A 57 10.986 -6.146 7.393 1.00 1.89 -ATOM 439 CB ALA A 57 10.174 -4.615 4.784 1.00 1.70 -ATOM 0 H ALA A 57 11.826 -5.473 3.368 1.00 1.45 H new -ATOM 0 HA ALA A 57 11.947 -4.213 5.928 1.00 1.61 H new -ATOM 0 1HB ALA A 57 9.501 -4.390 5.625 1.00 1.70 H new -ATOM 0 2HB ALA A 57 10.285 -3.720 4.154 1.00 1.70 H new -ATOM 0 3HB ALA A 57 9.750 -5.434 4.185 1.00 1.70 H new -ATOM 440 N ASP A 58 11.948 -7.353 5.767 1.00 1.58 -ATOM 441 CA ASP A 58 12.023 -8.600 6.511 1.00 1.65 -ATOM 442 C ASP A 58 13.365 -8.726 7.262 1.00 1.50 -ATOM 443 O ASP A 58 13.535 -9.588 8.136 1.00 1.57 -ATOM 444 CB ASP A 58 11.792 -9.777 5.555 1.00 1.62 -ATOM 445 CG ASP A 58 11.680 -11.129 6.223 1.00 1.75 -ATOM 446 OD1 ASP A 58 10.784 -11.318 7.071 1.00 1.61 -ATOM 447 OD2 ASP A 58 12.417 -12.049 5.846 1.00 2.29 -ATOM 0 H ASP A 58 12.303 -7.425 4.835 1.00 1.58 H new -ATOM 0 HA ASP A 58 11.234 -8.610 7.277 1.00 1.65 H new -ATOM 0 1HB ASP A 58 10.871 -9.590 4.983 1.00 1.62 H new -ATOM 0 2HB ASP A 58 12.620 -9.810 4.831 1.00 1.62 H new -ATOM 448 N GLY A 59 14.290 -7.833 6.942 1.00 1.31 -ATOM 449 CA GLY A 59 15.595 -7.812 7.595 1.00 1.22 -ATOM 450 C GLY A 59 16.548 -8.894 7.081 1.00 1.01 -ATOM 451 O GLY A 59 17.134 -9.630 7.878 1.00 0.93 -ATOM 0 H GLY A 59 14.165 -7.125 6.247 1.00 1.31 H new -ATOM 0 1HA GLY A 59 16.057 -6.825 7.444 1.00 1.22 H new -ATOM 0 2HA GLY A 59 15.457 -7.940 8.679 1.00 1.22 H new -ATOM 452 N ASN A 60 16.734 -8.986 5.772 1.00 0.96 -ATOM 453 CA ASN A 60 17.581 -10.044 5.197 1.00 0.79 -ATOM 454 C ASN A 60 18.908 -9.524 4.667 1.00 0.67 -ATOM 455 O ASN A 60 19.967 -9.844 5.206 1.00 1.13 -ATOM 456 CB ASN A 60 16.815 -10.915 4.175 1.00 0.78 -ATOM 457 CG ASN A 60 15.712 -11.718 4.822 1.00 1.27 -ATOM 458 OD1 ASN A 60 15.840 -12.174 5.953 1.00 1.58 -ATOM 459 ND2 ASN A 60 14.619 -11.875 4.134 1.00 1.85 -ATOM 0 H ASN A 60 16.327 -8.366 5.101 1.00 0.96 H new -ATOM 0 HA ASN A 60 17.847 -10.712 6.029 1.00 0.79 H new -ATOM 0 1HB ASN A 60 16.386 -10.269 3.394 1.00 0.78 H new -ATOM 0 2HB ASN A 60 17.519 -11.598 3.677 1.00 0.78 H new -ATOM 0 1HD2 ASN A 60 13.850 -12.381 4.525 1.00 1.85 H new -ATOM 0 2HD2 ASN A 60 14.548 -11.490 3.214 1.00 1.85 H new -ATOM 460 N GLY A 61 18.848 -8.681 3.699 1.00 0.20 -ATOM 461 CA GLY A 61 20.068 -8.100 3.120 1.00 0.20 -ATOM 462 C GLY A 61 20.328 -8.463 1.653 1.00 0.16 -ATOM 463 O GLY A 61 21.369 -8.094 1.089 1.00 0.21 -ATOM 0 H GLY A 61 17.997 -8.366 3.280 1.00 0.20 H new -ATOM 0 1HA GLY A 61 20.010 -7.005 3.206 1.00 0.20 H new -ATOM 0 2HA GLY A 61 20.931 -8.425 3.720 1.00 0.20 H new -ATOM 464 N THR A 62 19.412 -9.153 1.036 1.00 0.12 -ATOM 465 CA THR A 62 19.523 -9.556 -0.324 1.00 0.15 -ATOM 466 C THR A 62 18.240 -9.161 -1.071 1.00 0.14 -ATOM 467 O THR A 62 17.149 -9.119 -0.478 1.00 0.15 -ATOM 468 CB THR A 62 19.745 -11.084 -0.410 1.00 0.18 -ATOM 469 OG1 THR A 62 18.795 -11.766 0.447 1.00 0.21 -ATOM 470 CG2 THR A 62 21.157 -11.446 0.019 1.00 0.25 -ATOM 0 H THR A 62 18.564 -9.450 1.474 1.00 0.12 H new -ATOM 0 HA THR A 62 20.385 -9.054 -0.788 1.00 0.15 H new -ATOM 0 HB THR A 62 19.598 -11.398 -1.454 1.00 0.18 H new -ATOM 0 HG1 THR A 62 18.941 -12.754 0.387 1.00 0.21 H new -ATOM 0 1HG2 THR A 62 21.294 -12.535 -0.049 1.00 0.25 H new -ATOM 0 2HG2 THR A 62 21.881 -10.944 -0.640 1.00 0.25 H new -ATOM 0 3HG2 THR A 62 21.320 -11.121 1.057 1.00 0.25 H new -ATOM 471 N ILE A 63 18.365 -8.852 -2.335 1.00 0.13 -ATOM 472 CA ILE A 63 17.233 -8.416 -3.147 1.00 0.12 -ATOM 473 C ILE A 63 17.159 -9.277 -4.388 1.00 0.13 -ATOM 474 O ILE A 63 18.157 -9.473 -5.057 1.00 0.13 -ATOM 475 CB ILE A 63 17.426 -6.953 -3.605 1.00 0.09 -ATOM 476 CG1 ILE A 63 17.942 -6.094 -2.451 1.00 0.10 -ATOM 477 CG2 ILE A 63 16.128 -6.364 -4.191 1.00 0.10 -ATOM 478 CD1 ILE A 63 18.210 -4.667 -2.811 1.00 0.15 -ATOM 0 H ILE A 63 19.232 -8.891 -2.831 1.00 0.13 H new -ATOM 0 HA ILE A 63 16.317 -8.501 -2.544 1.00 0.12 H new -ATOM 0 HB ILE A 63 18.178 -6.950 -4.407 1.00 0.09 H new -ATOM 0 1HG1 ILE A 63 17.206 -6.121 -1.634 1.00 0.10 H new -ATOM 0 2HG1 ILE A 63 18.869 -6.541 -2.064 1.00 0.10 H new -ATOM 0 1HG2 ILE A 63 16.305 -5.325 -4.505 1.00 0.10 H new -ATOM 0 2HG2 ILE A 63 15.814 -6.960 -5.060 1.00 0.10 H new -ATOM 0 3HG2 ILE A 63 15.337 -6.386 -3.427 1.00 0.10 H new -ATOM 0 1HD1 ILE A 63 18.576 -4.127 -1.925 1.00 0.15 H new -ATOM 0 2HD1 ILE A 63 18.970 -4.625 -3.605 1.00 0.15 H new -ATOM 0 3HD1 ILE A 63 17.281 -4.198 -3.168 1.00 0.15 H new -ATOM 479 N ASP A 64 16.016 -9.802 -4.640 1.00 0.13 -ATOM 480 CA ASP A 64 15.736 -10.606 -5.871 1.00 0.14 -ATOM 481 C ASP A 64 15.341 -9.705 -7.054 1.00 0.13 -ATOM 482 O ASP A 64 15.005 -8.539 -6.856 1.00 0.14 -ATOM 483 CB ASP A 64 14.758 -11.840 -5.634 1.00 0.17 -ATOM 484 CG ASP A 64 13.700 -12.056 -6.686 1.00 0.24 -ATOM 485 OD1 ASP A 64 12.549 -11.587 -6.500 1.00 0.09 -ATOM 486 OD2 ASP A 64 13.980 -12.724 -7.691 1.00 0.51 -ATOM 0 H ASP A 64 15.227 -9.712 -4.032 1.00 0.13 H new -ATOM 0 HA ASP A 64 16.684 -11.088 -6.152 1.00 0.14 H new -ATOM 0 1HB ASP A 64 15.365 -12.754 -5.560 1.00 0.17 H new -ATOM 0 2HB ASP A 64 14.259 -11.706 -4.663 1.00 0.17 H new -ATOM 487 N PHE A 65 15.417 -10.229 -8.278 1.00 0.13 -ATOM 488 CA PHE A 65 15.200 -9.421 -9.492 1.00 0.13 -ATOM 489 C PHE A 65 13.798 -8.761 -9.589 1.00 0.11 -ATOM 490 O PHE A 65 13.727 -7.553 -9.757 1.00 0.09 -ATOM 491 CB PHE A 65 15.620 -10.142 -10.793 1.00 0.13 -ATOM 492 CG PHE A 65 15.376 -9.310 -12.014 1.00 0.13 -ATOM 493 CD1 PHE A 65 16.072 -8.127 -12.207 1.00 0.60 -ATOM 494 CD2 PHE A 65 14.433 -9.688 -12.950 1.00 0.60 -ATOM 495 CE1 PHE A 65 15.830 -7.346 -13.306 1.00 0.58 -ATOM 496 CE2 PHE A 65 14.195 -8.909 -14.059 1.00 0.61 -ATOM 497 CZ PHE A 65 14.891 -7.740 -14.236 1.00 0.14 -ATOM 0 H PHE A 65 15.623 -11.191 -8.458 1.00 0.13 H new -ATOM 0 HA PHE A 65 15.894 -8.576 -9.376 1.00 0.13 H new -ATOM 0 1HB PHE A 65 16.688 -10.401 -10.737 1.00 0.13 H new -ATOM 0 2HB PHE A 65 15.064 -11.087 -10.880 1.00 0.13 H new -ATOM 0 HD1 PHE A 65 16.826 -7.812 -11.470 1.00 0.60 H new -ATOM 0 HD2 PHE A 65 13.867 -10.620 -12.807 1.00 0.60 H new -ATOM 0 HE1 PHE A 65 16.384 -6.406 -13.447 1.00 0.58 H new -ATOM 0 HE2 PHE A 65 13.448 -9.223 -14.803 1.00 0.61 H new -ATOM 0 HZ PHE A 65 14.700 -7.116 -15.121 1.00 0.14 H new -ATOM 498 N PRO A 66 12.670 -9.506 -9.559 1.00 0.13 -ATOM 499 CA PRO A 66 11.355 -8.876 -9.481 1.00 0.12 -ATOM 500 C PRO A 66 11.228 -7.937 -8.273 1.00 0.13 -ATOM 501 O PRO A 66 10.520 -6.945 -8.345 1.00 0.15 -ATOM 502 CB PRO A 66 10.353 -10.025 -9.398 1.00 0.10 -ATOM 503 CG PRO A 66 11.151 -11.285 -9.395 1.00 0.12 -ATOM 504 CD PRO A 66 12.569 -10.951 -9.750 1.00 0.18 -ATOM 0 HA PRO A 66 11.175 -8.238 -10.359 1.00 0.12 H new -ATOM 0 1HB PRO A 66 9.742 -9.946 -8.486 1.00 0.10 H new -ATOM 0 2HB PRO A 66 9.660 -10.003 -10.252 1.00 0.10 H new -ATOM 0 1HG PRO A 66 11.107 -11.763 -8.405 1.00 0.12 H new -ATOM 0 2HG PRO A 66 10.735 -12.003 -10.117 1.00 0.12 H new -ATOM 0 1HD PRO A 66 13.279 -11.490 -9.106 1.00 0.18 H new -ATOM 0 2HD PRO A 66 12.798 -11.234 -10.788 1.00 0.18 H new -ATOM 505 N GLU A 67 11.925 -8.233 -7.168 1.00 0.13 -ATOM 506 CA GLU A 67 11.931 -7.294 -6.030 1.00 0.15 -ATOM 507 C GLU A 67 12.628 -5.974 -6.442 1.00 0.17 -ATOM 508 O GLU A 67 12.238 -4.880 -6.018 1.00 0.19 -ATOM 509 CB GLU A 67 12.637 -7.868 -4.803 1.00 0.17 -ATOM 510 CG GLU A 67 12.189 -9.252 -4.397 1.00 0.16 -ATOM 511 CD GLU A 67 12.867 -9.765 -3.138 1.00 0.21 -ATOM 512 OE1 GLU A 67 14.031 -9.403 -2.862 1.00 0.28 -ATOM 513 OE2 GLU A 67 12.244 -10.579 -2.417 1.00 0.20 -ATOM 0 H GLU A 67 12.464 -9.065 -7.037 1.00 0.13 H new -ATOM 0 HA GLU A 67 10.881 -7.109 -5.759 1.00 0.15 H new -ATOM 0 1HB GLU A 67 13.719 -7.892 -5.000 1.00 0.17 H new -ATOM 0 2HB GLU A 67 12.479 -7.185 -3.955 1.00 0.17 H new -ATOM 0 1HG GLU A 67 11.100 -9.245 -4.240 1.00 0.16 H new -ATOM 0 2HG GLU A 67 12.390 -9.950 -5.223 1.00 0.16 H new -ATOM 514 N PHE A 68 13.624 -6.103 -7.302 1.00 0.16 -ATOM 515 CA PHE A 68 14.384 -4.977 -7.839 1.00 0.18 -ATOM 516 C PHE A 68 13.458 -4.173 -8.709 1.00 0.19 -ATOM 517 O PHE A 68 13.362 -2.951 -8.595 1.00 0.21 -ATOM 518 CB PHE A 68 15.571 -5.477 -8.682 1.00 0.16 -ATOM 519 CG PHE A 68 16.463 -4.397 -9.191 1.00 0.19 -ATOM 520 CD1 PHE A 68 17.345 -3.754 -8.344 1.00 0.20 -ATOM 521 CD2 PHE A 68 16.402 -4.015 -10.516 1.00 0.20 -ATOM 522 CE1 PHE A 68 18.156 -2.725 -8.824 1.00 0.22 -ATOM 523 CE2 PHE A 68 17.205 -3.009 -10.995 1.00 0.23 -ATOM 524 CZ PHE A 68 18.078 -2.360 -10.149 1.00 0.24 -ATOM 0 H PHE A 68 13.930 -6.990 -7.649 1.00 0.16 H new -ATOM 0 HA PHE A 68 14.781 -4.367 -7.014 1.00 0.18 H new -ATOM 0 1HB PHE A 68 16.168 -6.173 -8.075 1.00 0.16 H new -ATOM 0 2HB PHE A 68 15.182 -6.048 -9.538 1.00 0.16 H new -ATOM 0 HD1 PHE A 68 17.408 -4.054 -7.288 1.00 0.20 H new -ATOM 0 HD2 PHE A 68 15.702 -4.522 -11.196 1.00 0.20 H new -ATOM 0 HE1 PHE A 68 18.853 -2.209 -8.148 1.00 0.22 H new -ATOM 0 HE2 PHE A 68 17.151 -2.721 -12.055 1.00 0.23 H new -ATOM 0 HZ PHE A 68 18.714 -1.549 -10.533 1.00 0.24 H new -ATOM 525 N LEU A 69 12.801 -4.880 -9.597 1.00 0.17 -ATOM 526 CA LEU A 69 11.773 -4.354 -10.424 1.00 0.19 -ATOM 527 C LEU A 69 10.740 -3.592 -9.603 1.00 0.20 -ATOM 528 O LEU A 69 10.399 -2.466 -9.925 1.00 0.21 -ATOM 529 CB LEU A 69 11.099 -5.471 -11.213 1.00 0.16 -ATOM 530 CG LEU A 69 11.970 -6.299 -12.149 1.00 0.15 -ATOM 531 CD1 LEU A 69 11.120 -7.292 -12.920 1.00 0.14 -ATOM 532 CD2 LEU A 69 12.690 -5.388 -13.121 1.00 0.18 -ATOM 0 H LEU A 69 12.980 -5.851 -9.756 1.00 0.17 H new -ATOM 0 HA LEU A 69 12.236 -3.649 -11.130 1.00 0.19 H new -ATOM 0 1HB LEU A 69 10.627 -6.157 -10.494 1.00 0.16 H new -ATOM 0 2HB LEU A 69 10.290 -5.024 -11.810 1.00 0.16 H new -ATOM 0 HG LEU A 69 12.708 -6.850 -11.547 1.00 0.15 H new -ATOM 0 1HD1 LEU A 69 11.762 -7.882 -13.591 1.00 0.14 H new -ATOM 0 2HD1 LEU A 69 10.611 -7.965 -12.215 1.00 0.14 H new -ATOM 0 3HD1 LEU A 69 10.370 -6.750 -13.514 1.00 0.14 H new -ATOM 0 1HD2 LEU A 69 13.317 -5.991 -13.794 1.00 0.18 H new -ATOM 0 2HD2 LEU A 69 11.952 -4.826 -13.713 1.00 0.18 H new -ATOM 0 3HD2 LEU A 69 13.324 -4.684 -12.563 1.00 0.18 H new -ATOM 533 N THR A 70 10.285 -4.209 -8.542 1.00 0.21 -ATOM 534 CA THR A 70 9.352 -3.604 -7.610 1.00 0.22 -ATOM 535 C THR A 70 9.893 -2.269 -7.020 1.00 0.28 -ATOM 536 O THR A 70 9.143 -1.283 -6.923 1.00 0.21 -ATOM 537 CB THR A 70 8.946 -4.615 -6.491 1.00 0.22 -ATOM 538 OG1 THR A 70 8.285 -5.736 -7.101 1.00 0.19 -ATOM 539 CG2 THR A 70 8.009 -3.984 -5.471 1.00 0.26 -ATOM 0 H THR A 70 10.548 -5.142 -8.298 1.00 0.21 H new -ATOM 0 HA THR A 70 8.443 -3.347 -8.174 1.00 0.22 H new -ATOM 0 HB THR A 70 9.859 -4.931 -5.964 1.00 0.22 H new -ATOM 0 HG1 THR A 70 8.954 -6.287 -7.600 1.00 0.19 H new -ATOM 0 1HG2 THR A 70 7.748 -4.727 -4.703 1.00 0.26 H new -ATOM 0 2HG2 THR A 70 8.507 -3.126 -4.996 1.00 0.26 H new -ATOM 0 3HG2 THR A 70 7.093 -3.642 -5.976 1.00 0.26 H new -ATOM 540 N MET A 71 11.192 -2.213 -6.689 1.00 0.41 -ATOM 541 CA MET A 71 11.762 -0.974 -6.154 1.00 0.49 -ATOM 542 C MET A 71 11.863 0.083 -7.259 1.00 0.48 -ATOM 543 O MET A 71 11.637 1.262 -7.029 1.00 0.48 -ATOM 544 CB MET A 71 13.132 -1.149 -5.443 1.00 0.71 -ATOM 545 CG MET A 71 14.362 -1.177 -6.348 1.00 1.04 -ATOM 546 SD MET A 71 15.899 -0.999 -5.446 1.00 1.13 -ATOM 547 CE MET A 71 15.790 -2.414 -4.370 1.00 0.91 -ATOM 0 H MET A 71 11.836 -2.973 -6.778 1.00 0.41 H new -ATOM 0 HA MET A 71 11.066 -0.639 -5.371 1.00 0.49 H new -ATOM 0 1HB MET A 71 13.253 -0.329 -4.720 1.00 0.71 H new -ATOM 0 2HB MET A 71 13.105 -2.085 -4.867 1.00 0.71 H new -ATOM 0 1HG MET A 71 14.378 -2.125 -6.906 1.00 1.04 H new -ATOM 0 2HG MET A 71 14.283 -0.369 -7.090 1.00 1.04 H new -ATOM 0 1HE MET A 71 15.607 -2.078 -3.339 1.00 0.91 H new -ATOM 0 2HE MET A 71 14.962 -3.061 -4.697 1.00 0.91 H new -ATOM 0 3HE MET A 71 16.733 -2.979 -4.409 1.00 0.91 H new -ATOM 548 N MET A 72 12.170 -0.348 -8.481 1.00 0.49 -ATOM 549 CA MET A 72 12.233 0.586 -9.589 1.00 0.51 -ATOM 550 C MET A 72 10.845 1.044 -10.004 1.00 0.42 -ATOM 551 O MET A 72 10.666 2.151 -10.498 1.00 0.48 -ATOM 552 CB MET A 72 13.027 0.057 -10.776 1.00 0.56 -ATOM 553 CG MET A 72 14.468 -0.260 -10.428 1.00 0.63 -ATOM 554 SD MET A 72 15.558 -0.235 -11.848 1.00 1.27 -ATOM 555 CE MET A 72 15.584 1.522 -12.230 1.00 0.62 -ATOM 0 H MET A 72 12.370 -1.299 -8.716 1.00 0.49 H new -ATOM 0 HA MET A 72 12.787 1.463 -9.222 1.00 0.51 H new -ATOM 0 1HB MET A 72 12.540 -0.851 -11.161 1.00 0.56 H new -ATOM 0 2HB MET A 72 13.006 0.801 -11.586 1.00 0.56 H new -ATOM 0 1HG MET A 72 14.828 0.467 -9.685 1.00 0.63 H new -ATOM 0 2HG MET A 72 14.515 -1.252 -9.956 1.00 0.63 H new -ATOM 0 1HE MET A 72 16.497 1.762 -12.794 1.00 0.62 H new -ATOM 0 2HE MET A 72 14.702 1.779 -12.835 1.00 0.62 H new -ATOM 0 3HE MET A 72 15.569 2.101 -11.295 1.00 0.62 H new -ATOM 556 N ALA A 73 9.860 0.197 -9.785 1.00 0.30 -ATOM 557 CA ALA A 73 8.480 0.551 -10.014 1.00 0.23 -ATOM 558 C ALA A 73 7.998 1.543 -8.939 1.00 0.20 -ATOM 559 O ALA A 73 6.985 2.188 -9.105 1.00 0.20 -ATOM 560 CB ALA A 73 7.606 -0.693 -10.048 1.00 0.17 -ATOM 0 H ALA A 73 9.994 -0.736 -9.450 1.00 0.30 H new -ATOM 0 HA ALA A 73 8.399 1.044 -10.994 1.00 0.23 H new -ATOM 0 1HB ALA A 73 6.560 -0.402 -10.223 1.00 0.17 H new -ATOM 0 2HB ALA A 73 7.942 -1.356 -10.859 1.00 0.17 H new -ATOM 0 3HB ALA A 73 7.683 -1.222 -9.087 1.00 0.17 H new -ATOM 561 N ARG A 74 8.701 1.591 -7.810 1.00 0.20 -ATOM 562 CA ARG A 74 8.469 2.597 -6.769 1.00 0.18 -ATOM 563 C ARG A 74 9.090 3.932 -7.147 1.00 0.16 -ATOM 564 O ARG A 74 8.545 4.997 -6.848 1.00 0.16 -ATOM 565 CB ARG A 74 9.016 2.123 -5.433 1.00 0.20 -ATOM 566 CG ARG A 74 8.141 1.132 -4.704 1.00 0.30 -ATOM 567 CD ARG A 74 7.040 1.849 -3.971 1.00 0.46 -ATOM 568 NE ARG A 74 7.538 2.637 -2.835 1.00 0.81 -ATOM 569 CZ ARG A 74 7.114 3.860 -2.482 1.00 1.28 -ATOM 570 NH1 ARG A 74 6.292 4.553 -3.270 1.00 1.64 -ATOM 571 NH2 ARG A 74 7.523 4.381 -1.340 1.00 1.99 -ATOM 0 H ARG A 74 9.434 0.947 -7.592 1.00 0.20 H new -ATOM 0 HA ARG A 74 7.382 2.738 -6.676 1.00 0.18 H new -ATOM 0 1HB ARG A 74 10.003 1.666 -5.599 1.00 0.20 H new -ATOM 0 2HB ARG A 74 9.171 2.999 -4.785 1.00 0.20 H new -ATOM 0 1HG ARG A 74 7.710 0.417 -5.420 1.00 0.30 H new -ATOM 0 2HG ARG A 74 8.747 0.550 -3.993 1.00 0.30 H new -ATOM 0 1HD ARG A 74 6.511 2.514 -4.670 1.00 0.46 H new -ATOM 0 2HD ARG A 74 6.306 1.114 -3.609 1.00 0.46 H new -ATOM 0 HE ARG A 74 8.257 2.225 -2.275 1.00 0.81 H + new -ATOM 0 1HH1 ARG A 74 5.983 4.162 -4.137 1.00 1.64 H + new -ATOM 0 2HH1 ARG A 74 5.984 5.463 -2.994 1.00 1.64 H + new -ATOM 0 1HH2 ARG A 74 8.142 3.865 -0.748 1.00 1.99 H + new -ATOM 0 2HH2 ARG A 74 7.214 5.292 -1.067 1.00 1.99 H + new -ATOM 572 N LYS A 75 10.244 3.848 -7.771 1.00 0.34 -ATOM 573 CA LYS A 75 10.979 4.948 -8.286 1.00 0.35 -ATOM 574 C LYS A 75 10.172 5.625 -9.375 1.00 0.31 -ATOM 575 O LYS A 75 10.086 6.838 -9.449 1.00 0.27 -ATOM 576 CB LYS A 75 12.254 4.358 -8.859 1.00 0.42 -ATOM 577 CG LYS A 75 13.581 4.843 -8.297 1.00 0.49 -ATOM 578 CD LYS A 75 14.024 6.232 -8.788 1.00 0.86 -ATOM 579 CE LYS A 75 13.256 7.382 -8.169 1.00 0.84 -ATOM 580 NZ LYS A 75 13.811 8.684 -8.587 1.00 1.54 -ATOM 0 H LYS A 75 10.699 2.972 -7.931 1.00 0.34 H new -ATOM 0 HA LYS A 75 11.200 5.701 -7.515 1.00 0.35 H new -ATOM 0 1HB LYS A 75 12.210 3.267 -8.725 1.00 0.42 H new -ATOM 0 2HB LYS A 75 12.257 4.550 -9.942 1.00 0.42 H new -ATOM 0 1HG LYS A 75 13.512 4.863 -7.199 1.00 0.49 H new -ATOM 0 2HG LYS A 75 14.361 4.112 -8.557 1.00 0.49 H new -ATOM 0 1HD LYS A 75 15.095 6.361 -8.571 1.00 0.86 H new -ATOM 0 2HD LYS A 75 13.910 6.276 -9.881 1.00 0.86 H new -ATOM 0 1HE LYS A 75 12.198 7.320 -8.463 1.00 0.84 H new -ATOM 0 2HE LYS A 75 13.290 7.301 -7.073 1.00 0.84 H new -ATOM 0 1HZ LYS A 75 13.285 9.422 -8.164 1.00 1.54 H + new -ATOM 0 2HZ LYS A 75 14.766 8.748 -8.298 1.00 1.54 H + new -ATOM 0 3HZ LYS A 75 13.758 8.765 -9.582 1.00 1.54 H + new -ATOM 581 N MET A 76 9.600 4.821 -10.203 1.00 0.42 -ATOM 582 CA MET A 76 8.755 5.290 -11.273 1.00 0.56 -ATOM 583 C MET A 76 7.289 5.226 -10.820 1.00 1.15 -ATOM 584 O MET A 76 7.057 4.995 -9.643 1.00 2.00 -ATOM 585 CB MET A 76 9.077 4.560 -12.603 1.00 0.44 -ATOM 586 CG MET A 76 10.536 4.764 -13.029 1.00 0.96 -ATOM 587 SD MET A 76 10.880 4.376 -14.762 1.00 1.63 -ATOM 588 CE MET A 76 10.399 2.667 -14.854 1.00 0.87 -ATOM 0 H MET A 76 9.698 3.826 -10.166 1.00 0.42 H new -ATOM 0 HA MET A 76 8.958 6.347 -11.500 1.00 0.56 H new -ATOM 0 1HB MET A 76 8.876 3.485 -12.489 1.00 0.44 H new -ATOM 0 2HB MET A 76 8.409 4.930 -13.395 1.00 0.44 H new -ATOM 0 1HG MET A 76 10.816 5.811 -12.840 1.00 0.96 H new -ATOM 0 2HG MET A 76 11.180 4.139 -12.393 1.00 0.96 H new -ATOM 0 1HE MET A 76 11.156 2.102 -15.418 1.00 0.87 H new -ATOM 0 2HE MET A 76 10.315 2.254 -13.838 1.00 0.87 H new -ATOM 0 3HE MET A 76 9.427 2.586 -15.363 1.00 0.87 H new -ATOM 589 N LYS A 77 6.316 5.415 -11.737 1.00 2.45 -ATOM 590 CA LYS A 77 4.861 5.670 -11.473 1.00 3.41 -ATOM 591 C LYS A 77 4.564 6.840 -10.548 1.00 3.78 -ATOM 592 O LYS A 77 3.783 7.729 -10.874 1.00 4.21 -ATOM 593 CB LYS A 77 4.022 4.447 -11.187 1.00 4.44 -ATOM 594 CG LYS A 77 4.359 3.707 -9.953 1.00 3.61 -ATOM 595 CD LYS A 77 3.262 2.685 -9.659 1.00 4.56 -ATOM 596 CE LYS A 77 3.460 1.925 -8.355 1.00 4.25 -ATOM 597 NZ LYS A 77 4.616 1.019 -8.393 1.00 3.03 -ATOM 0 H LYS A 77 6.518 5.396 -12.716 1.00 2.45 H new -ATOM 0 HA LYS A 77 4.513 6.004 -12.461 1.00 3.41 H new -ATOM 0 1HB LYS A 77 2.968 4.755 -11.130 1.00 4.44 H new -ATOM 0 2HB LYS A 77 4.110 3.758 -12.040 1.00 4.44 H new -ATOM 0 1HG LYS A 77 5.328 3.199 -10.069 1.00 3.61 H new -ATOM 0 2HG LYS A 77 4.461 4.405 -9.109 1.00 3.61 H new -ATOM 0 1HD LYS A 77 2.292 3.202 -9.627 1.00 4.56 H new -ATOM 0 2HD LYS A 77 3.215 1.964 -10.488 1.00 4.56 H new -ATOM 0 1HE LYS A 77 3.591 2.644 -7.533 1.00 4.25 H new -ATOM 0 2HE LYS A 77 2.552 1.345 -8.133 1.00 4.25 H new -ATOM 0 1HZ LYS A 77 4.633 0.465 -7.561 1.00 3.03 H + new -ATOM 0 2HZ LYS A 77 4.545 0.420 -9.191 1.00 3.03 H + new -ATOM 0 3HZ LYS A 77 5.458 1.555 -8.454 1.00 3.03 H + new -ATOM 598 N ASP A 78 5.221 6.829 -9.466 1.00 1.77 -ATOM 599 CA ASP A 78 5.166 7.846 -8.429 1.00 1.05 -ATOM 600 C ASP A 78 5.776 9.139 -8.885 1.00 0.98 -ATOM 601 O ASP A 78 5.084 10.087 -9.238 1.00 1.38 -ATOM 602 CB ASP A 78 5.792 7.325 -7.117 1.00 1.50 -ATOM 603 CG ASP A 78 5.916 8.379 -6.034 1.00 1.77 -ATOM 604 OD1 ASP A 78 4.905 8.688 -5.359 1.00 1.51 -ATOM 605 OD2 ASP A 78 7.032 8.878 -5.804 1.00 2.92 -ATOM 0 H ASP A 78 5.852 6.087 -9.240 1.00 1.77 H new -ATOM 0 HA ASP A 78 4.108 8.064 -8.220 1.00 1.05 H new -ATOM 0 1HB ASP A 78 5.182 6.493 -6.736 1.00 1.50 H new -ATOM 0 2HB ASP A 78 6.791 6.918 -7.335 1.00 1.50 H new -ATOM 606 N THR A 79 7.026 9.166 -8.914 1.00 0.52 -ATOM 607 CA THR A 79 7.751 10.346 -9.370 1.00 0.46 -ATOM 608 C THR A 79 8.278 10.108 -10.821 1.00 0.43 -ATOM 609 O THR A 79 9.323 10.621 -11.252 1.00 0.45 -ATOM 610 CB THR A 79 8.886 10.711 -8.370 1.00 0.58 -ATOM 611 OG1 THR A 79 9.325 12.071 -8.570 1.00 0.40 -ATOM 612 CG2 THR A 79 10.063 9.771 -8.504 1.00 0.74 -ATOM 0 H THR A 79 7.609 8.403 -8.635 1.00 0.52 H new -ATOM 0 HA THR A 79 7.073 11.212 -9.401 1.00 0.46 H new -ATOM 0 HB THR A 79 8.474 10.610 -7.355 1.00 0.58 H new -ATOM 0 HG1 THR A 79 9.526 12.218 -9.538 1.00 0.40 H new -ATOM 0 1HG2 THR A 79 10.845 10.057 -7.785 1.00 0.74 H new -ATOM 0 2HG2 THR A 79 9.736 8.741 -8.299 1.00 0.74 H new -ATOM 0 3HG2 THR A 79 10.466 9.831 -9.526 1.00 0.74 H new -ATOM 613 N ASP A 80 7.465 9.411 -11.568 1.00 0.42 -ATOM 614 CA ASP A 80 7.717 9.023 -12.947 1.00 0.45 -ATOM 615 C ASP A 80 7.753 10.246 -13.822 1.00 0.41 -ATOM 616 O ASP A 80 7.341 11.340 -13.426 1.00 0.35 -ATOM 617 CB ASP A 80 6.562 8.135 -13.387 1.00 0.43 -ATOM 618 CG ASP A 80 6.822 7.239 -14.606 1.00 1.29 -ATOM 619 OD1 ASP A 80 6.689 6.004 -14.476 1.00 2.00 -ATOM 620 OD2 ASP A 80 7.140 7.748 -15.689 1.00 1.82 -ATOM 0 H ASP A 80 6.582 9.085 -11.231 1.00 0.42 H new -ATOM 0 HA ASP A 80 8.680 8.497 -13.029 1.00 0.45 H new -ATOM 0 1HB ASP A 80 6.278 7.493 -12.540 1.00 0.43 H new -ATOM 0 2HB ASP A 80 5.697 8.777 -13.608 1.00 0.43 H new -ATOM 621 N SER A 81 8.123 10.028 -15.008 1.00 0.44 -ATOM 622 CA SER A 81 8.263 11.022 -15.987 1.00 0.40 -ATOM 623 C SER A 81 6.941 11.178 -16.654 1.00 0.38 -ATOM 624 O SER A 81 6.691 12.129 -17.359 1.00 0.35 -ATOM 625 CB SER A 81 9.316 10.583 -16.937 1.00 0.42 -ATOM 626 OG SER A 81 10.569 10.503 -16.284 1.00 0.56 -ATOM 0 H SER A 81 8.348 9.113 -15.342 1.00 0.44 H new -ATOM 0 HA SER A 81 8.563 11.993 -15.566 1.00 0.40 H new -ATOM 0 1HB SER A 81 9.052 9.602 -17.359 1.00 0.42 H new -ATOM 0 2HB SER A 81 9.378 11.289 -17.778 1.00 0.42 H new -ATOM 0 HG SER A 81 10.989 9.616 -16.476 1.00 0.56 H new -ATOM 627 N GLU A 82 6.097 10.228 -16.422 1.00 0.42 -ATOM 628 CA GLU A 82 4.720 10.341 -16.811 1.00 0.41 -ATOM 629 C GLU A 82 4.058 11.524 -16.107 1.00 0.38 -ATOM 630 O GLU A 82 3.377 12.310 -16.723 1.00 0.38 -ATOM 631 CB GLU A 82 3.956 9.044 -16.599 1.00 0.56 -ATOM 632 CG GLU A 82 4.211 7.982 -17.656 1.00 1.61 -ATOM 633 CD GLU A 82 3.190 6.854 -17.681 1.00 1.45 -ATOM 634 OE1 GLU A 82 2.573 6.542 -16.654 1.00 1.76 -ATOM 635 OE2 GLU A 82 2.989 6.255 -18.753 1.00 1.74 -ATOM 0 H GLU A 82 6.331 9.368 -15.968 1.00 0.42 H new -ATOM 0 HA GLU A 82 4.691 10.537 -17.893 1.00 0.41 H new -ATOM 0 1HB GLU A 82 4.222 8.634 -15.614 1.00 0.56 H new -ATOM 0 2HB GLU A 82 2.879 9.267 -16.574 1.00 0.56 H new -ATOM 0 1HG GLU A 82 4.229 8.464 -18.644 1.00 1.61 H new -ATOM 0 2HG GLU A 82 5.209 7.551 -17.490 1.00 1.61 H new -ATOM 636 N GLU A 83 4.402 11.719 -14.871 1.00 0.38 -ATOM 637 CA GLU A 83 3.863 12.804 -14.063 1.00 0.40 -ATOM 638 C GLU A 83 4.691 14.076 -14.256 1.00 0.35 -ATOM 639 O GLU A 83 4.650 15.001 -13.448 1.00 0.38 -ATOM 640 CB GLU A 83 3.818 12.388 -12.590 1.00 0.50 -ATOM 641 CG GLU A 83 2.817 11.274 -12.301 1.00 1.08 -ATOM 642 CD GLU A 83 1.407 11.678 -12.660 1.00 1.10 -ATOM 643 OE1 GLU A 83 0.633 12.043 -11.754 1.00 0.57 -ATOM 644 OE2 GLU A 83 1.047 11.661 -13.855 1.00 2.39 -ATOM 0 H GLU A 83 5.059 11.142 -14.386 1.00 0.38 H new -ATOM 0 HA GLU A 83 2.835 13.020 -14.390 1.00 0.40 H new -ATOM 0 1HB GLU A 83 4.821 12.058 -12.280 1.00 0.50 H new -ATOM 0 2HB GLU A 83 3.564 13.266 -11.977 1.00 0.50 H new -ATOM 0 1HG GLU A 83 3.096 10.374 -12.869 1.00 1.08 H new -ATOM 0 2HG GLU A 83 2.862 11.008 -11.234 1.00 1.08 H new -ATOM 645 N GLU A 84 5.431 14.096 -15.338 1.00 0.31 -ATOM 646 CA GLU A 84 6.267 15.199 -15.729 1.00 0.30 -ATOM 647 C GLU A 84 6.001 15.553 -17.197 1.00 0.25 -ATOM 648 O GLU A 84 5.531 16.639 -17.552 1.00 0.45 -ATOM 649 CB GLU A 84 7.742 14.794 -15.542 1.00 0.29 -ATOM 650 CG GLU A 84 8.158 14.572 -14.103 1.00 0.26 -ATOM 651 CD GLU A 84 9.641 14.331 -13.953 1.00 1.05 -ATOM 652 OE1 GLU A 84 10.386 15.295 -13.704 1.00 1.51 -ATOM 653 OE2 GLU A 84 10.093 13.186 -14.071 1.00 2.13 -ATOM 0 H GLU A 84 5.466 13.330 -15.980 1.00 0.31 H new -ATOM 0 HA GLU A 84 6.044 16.079 -15.108 1.00 0.30 H new -ATOM 0 1HB GLU A 84 7.930 13.871 -16.110 1.00 0.29 H new -ATOM 0 2HB GLU A 84 8.381 15.576 -15.978 1.00 0.29 H new -ATOM 0 1HG GLU A 84 7.871 15.449 -13.504 1.00 0.26 H new -ATOM 0 2HG GLU A 84 7.608 13.711 -13.696 1.00 0.26 H new -ATOM 654 N ILE A 85 6.233 14.601 -18.022 1.00 0.05 -ATOM 655 CA ILE A 85 6.149 14.773 -19.439 1.00 0.13 -ATOM 656 C ILE A 85 4.685 14.688 -19.926 1.00 0.10 -ATOM 657 O ILE A 85 4.231 15.551 -20.684 1.00 0.08 -ATOM 658 CB ILE A 85 7.066 13.754 -20.202 1.00 0.22 -ATOM 659 CG1 ILE A 85 8.560 13.945 -19.876 1.00 0.31 -ATOM 660 CG2 ILE A 85 6.881 13.875 -21.685 1.00 0.23 -ATOM 661 CD1 ILE A 85 9.447 13.025 -20.694 1.00 0.35 -ATOM 0 H ILE A 85 6.488 13.676 -17.739 1.00 0.05 H new -ATOM 0 HA ILE A 85 6.521 15.782 -19.671 1.00 0.13 H new -ATOM 0 HB ILE A 85 6.760 12.754 -19.861 1.00 0.22 H new -ATOM 0 1HG1 ILE A 85 8.844 14.990 -20.066 1.00 0.31 H new -ATOM 0 2HG1 ILE A 85 8.727 13.756 -18.805 1.00 0.31 H new -ATOM 0 1HG2 ILE A 85 7.533 13.152 -22.197 1.00 0.23 H new -ATOM 0 2HG2 ILE A 85 5.832 13.668 -21.942 1.00 0.23 H new -ATOM 0 3HG2 ILE A 85 7.142 14.894 -22.006 1.00 0.23 H new -ATOM 0 1HD1 ILE A 85 10.500 13.198 -20.427 1.00 0.35 H new -ATOM 0 2HD1 ILE A 85 9.183 11.978 -20.484 1.00 0.35 H new -ATOM 0 3HD1 ILE A 85 9.302 13.232 -21.765 1.00 0.35 H new -ATOM 662 N ARG A 86 3.941 13.679 -19.459 1.00 0.09 -ATOM 663 CA ARG A 86 2.545 13.498 -19.866 1.00 0.05 -ATOM 664 C ARG A 86 1.683 14.682 -19.461 1.00 0.10 -ATOM 665 O ARG A 86 0.865 15.117 -20.247 1.00 0.24 -ATOM 666 CB ARG A 86 1.960 12.184 -19.327 1.00 0.07 -ATOM 667 CG ARG A 86 0.462 11.995 -19.574 1.00 0.65 -ATOM 668 CD ARG A 86 -0.038 10.702 -18.955 1.00 0.59 -ATOM 669 NE ARG A 86 0.218 10.643 -17.503 1.00 1.02 -ATOM 670 CZ ARG A 86 0.474 9.518 -16.824 1.00 1.72 -ATOM 671 NH1 ARG A 86 0.387 8.343 -17.439 1.00 1.67 -ATOM 672 NH2 ARG A 86 0.778 9.565 -15.520 1.00 2.80 -ATOM 0 H ARG A 86 4.275 12.992 -18.814 1.00 0.09 H new -ATOM 0 HA ARG A 86 2.539 13.440 -20.964 1.00 0.05 H new -ATOM 0 1HB ARG A 86 2.501 11.344 -19.786 1.00 0.07 H new -ATOM 0 2HB ARG A 86 2.147 12.134 -18.244 1.00 0.07 H new -ATOM 0 1HG ARG A 86 -0.092 12.846 -19.151 1.00 0.65 H new -ATOM 0 2HG ARG A 86 0.264 11.988 -20.656 1.00 0.65 H new -ATOM 0 1HD ARG A 86 -1.118 10.603 -19.139 1.00 0.59 H new -ATOM 0 2HD ARG A 86 0.452 9.849 -19.447 1.00 0.59 H new -ATOM 0 HE ARG A 86 0.199 11.502 -16.991 1.00 1.02 H + new -ATOM 0 1HH1 ARG A 86 0.131 8.302 -18.405 1.00 1.67 H + new -ATOM 0 2HH1 ARG A 86 0.577 7.500 -16.936 1.00 1.67 H + new -ATOM 0 1HH2 ARG A 86 0.815 10.445 -15.047 1.00 2.80 H + new -ATOM 0 2HH2 ARG A 86 0.968 8.720 -15.020 1.00 2.80 H + new -ATOM 673 N GLU A 87 1.885 15.232 -18.264 1.00 0.28 -ATOM 674 CA GLU A 87 1.079 16.374 -17.869 1.00 0.37 -ATOM 675 C GLU A 87 1.396 17.632 -18.691 1.00 0.31 -ATOM 676 O GLU A 87 0.504 18.447 -18.940 1.00 0.30 -ATOM 677 CB GLU A 87 0.986 16.600 -16.331 1.00 0.58 -ATOM 678 CG GLU A 87 2.267 16.885 -15.538 1.00 1.89 -ATOM 679 CD GLU A 87 2.852 18.259 -15.780 1.00 3.52 -ATOM 680 OE1 GLU A 87 2.090 19.251 -15.863 1.00 3.80 -ATOM 681 OE2 GLU A 87 4.073 18.388 -15.815 1.00 4.66 -ATOM 0 H GLU A 87 2.559 14.924 -17.592 1.00 0.28 H new -ATOM 0 HA GLU A 87 0.044 16.112 -18.135 1.00 0.37 H new -ATOM 0 1HB GLU A 87 0.297 17.441 -16.161 1.00 0.58 H new -ATOM 0 2HB GLU A 87 0.517 15.707 -15.893 1.00 0.58 H new -ATOM 0 1HG GLU A 87 2.053 16.774 -14.465 1.00 1.89 H new -ATOM 0 2HG GLU A 87 3.021 16.127 -15.796 1.00 1.89 H new -ATOM 682 N ALA A 88 2.643 17.764 -19.167 1.00 0.28 -ATOM 683 CA ALA A 88 2.975 18.856 -20.083 1.00 0.24 -ATOM 684 C ALA A 88 2.289 18.628 -21.414 1.00 0.19 -ATOM 685 O ALA A 88 1.794 19.548 -22.041 1.00 0.20 -ATOM 686 CB ALA A 88 4.451 18.953 -20.305 1.00 0.23 -ATOM 0 H ALA A 88 3.404 17.155 -18.942 1.00 0.28 H new -ATOM 0 HA ALA A 88 2.628 19.796 -19.629 1.00 0.24 H new -ATOM 0 1HB ALA A 88 4.665 19.782 -20.996 1.00 0.23 H new -ATOM 0 2HB ALA A 88 4.955 19.138 -19.345 1.00 0.23 H new -ATOM 0 3HB ALA A 88 4.820 18.011 -20.737 1.00 0.23 H new -ATOM 687 N PHE A 89 2.272 17.394 -21.845 1.00 0.16 -ATOM 688 CA PHE A 89 1.599 17.016 -22.998 1.00 0.16 -ATOM 689 C PHE A 89 0.094 17.203 -22.867 1.00 0.19 -ATOM 690 O PHE A 89 -0.570 17.551 -23.814 1.00 0.21 -ATOM 691 CB PHE A 89 1.923 15.590 -23.428 1.00 0.16 -ATOM 692 CG PHE A 89 3.187 15.373 -24.235 1.00 0.13 -ATOM 693 CD1 PHE A 89 3.232 15.784 -25.561 1.00 0.14 -ATOM 694 CD2 PHE A 89 4.307 14.716 -23.714 1.00 0.13 -ATOM 695 CE1 PHE A 89 4.338 15.563 -26.332 1.00 0.16 -ATOM 696 CE2 PHE A 89 5.429 14.509 -24.518 1.00 0.16 -ATOM 697 CZ PHE A 89 5.416 14.946 -25.824 1.00 0.17 -ATOM 0 H PHE A 89 2.738 16.641 -21.380 1.00 0.16 H new -ATOM 0 HA PHE A 89 1.962 17.689 -23.789 1.00 0.16 H new -ATOM 0 1HB PHE A 89 1.987 14.969 -22.523 1.00 0.16 H new -ATOM 0 2HB PHE A 89 1.075 15.212 -24.018 1.00 0.16 H new -ATOM 0 HD1 PHE A 89 2.362 16.296 -25.998 1.00 0.14 H new -ATOM 0 HD2 PHE A 89 4.303 14.363 -22.672 1.00 0.13 H new -ATOM 0 HE1 PHE A 89 4.345 15.895 -27.381 1.00 0.16 H new -ATOM 0 HE2 PHE A 89 6.316 14.001 -24.112 1.00 0.16 H new -ATOM 0 HZ PHE A 89 6.300 14.787 -26.459 1.00 0.17 H new -ATOM 698 N ARG A 90 -0.410 16.954 -21.695 1.00 0.22 -ATOM 699 CA ARG A 90 -1.816 17.176 -21.376 1.00 0.25 -ATOM 700 C ARG A 90 -2.127 18.674 -21.436 1.00 0.20 -ATOM 701 O ARG A 90 -3.234 19.073 -21.753 1.00 0.22 -ATOM 702 CB ARG A 90 -2.164 16.631 -20.002 1.00 0.28 -ATOM 703 CG ARG A 90 -3.649 16.604 -19.751 1.00 0.57 -ATOM 704 CD ARG A 90 -3.991 16.176 -18.349 1.00 0.55 -ATOM 705 NE ARG A 90 -5.429 15.893 -18.246 1.00 1.23 -ATOM 706 CZ ARG A 90 -6.251 16.271 -17.261 1.00 1.02 -ATOM 707 NH1 ARG A 90 -5.829 17.081 -16.293 1.00 1.89 -ATOM 708 NH2 ARG A 90 -7.521 15.878 -17.280 1.00 1.50 -ATOM 0 H ARG A 90 0.126 16.594 -20.931 1.00 0.22 H new -ATOM 0 HA ARG A 90 -2.426 16.640 -22.118 1.00 0.25 H new -ATOM 0 1HB ARG A 90 -1.760 15.613 -19.902 1.00 0.28 H new -ATOM 0 2HB ARG A 90 -1.677 17.248 -19.232 1.00 0.28 H new -ATOM 0 1HG ARG A 90 -4.067 17.604 -19.937 1.00 0.57 H new -ATOM 0 2HG ARG A 90 -4.126 15.918 -20.467 1.00 0.57 H new -ATOM 0 1HD ARG A 90 -3.412 15.281 -18.078 1.00 0.55 H new -ATOM 0 2HD ARG A 90 -3.712 16.967 -17.637 1.00 0.55 H new -ATOM 0 HE ARG A 90 -5.836 15.362 -18.990 1.00 1.23 H + new -ATOM 0 1HH1 ARG A 90 -4.886 17.415 -16.296 1.00 1.89 H + new -ATOM 0 2HH1 ARG A 90 -6.454 17.356 -15.563 1.00 1.89 H + new -ATOM 0 1HH2 ARG A 90 -7.856 15.304 -18.027 1.00 1.50 H + new -ATOM 0 2HH2 ARG A 90 -8.142 16.157 -16.547 1.00 1.50 H + new -ATOM 709 N VAL A 91 -1.129 19.485 -21.103 1.00 0.15 -ATOM 710 CA VAL A 91 -1.197 20.950 -21.292 1.00 0.13 -ATOM 711 C VAL A 91 -1.466 21.243 -22.771 1.00 0.17 -ATOM 712 O VAL A 91 -2.282 22.096 -23.131 1.00 0.19 -ATOM 713 CB VAL A 91 0.154 21.657 -20.841 1.00 0.10 -ATOM 714 CG1 VAL A 91 0.378 22.994 -21.551 1.00 0.09 -ATOM 715 CG2 VAL A 91 0.202 21.867 -19.328 1.00 0.11 -ATOM 0 H VAL A 91 -0.269 19.166 -20.705 1.00 0.15 H new -ATOM 0 HA VAL A 91 -2.009 21.350 -20.667 1.00 0.13 H new -ATOM 0 HB VAL A 91 0.965 20.973 -21.134 1.00 0.10 H new -ATOM 0 1HG1 VAL A 91 1.322 23.440 -21.205 1.00 0.09 H new -ATOM 0 2HG1 VAL A 91 0.428 22.829 -22.637 1.00 0.09 H new -ATOM 0 3HG1 VAL A 91 -0.455 23.675 -21.322 1.00 0.09 H new -ATOM 0 1HG2 VAL A 91 1.148 22.357 -19.055 1.00 0.11 H new -ATOM 0 2HG2 VAL A 91 -0.641 22.502 -19.018 1.00 0.11 H new -ATOM 0 3HG2 VAL A 91 0.134 20.894 -18.820 1.00 0.11 H new -ATOM 716 N PHE A 92 -0.802 20.486 -23.599 1.00 0.19 -ATOM 717 CA PHE A 92 -0.880 20.588 -25.025 1.00 0.23 -ATOM 718 C PHE A 92 -2.118 19.978 -25.628 1.00 0.30 -ATOM 719 O PHE A 92 -2.512 20.299 -26.735 1.00 0.38 -ATOM 720 CB PHE A 92 0.403 20.078 -25.607 1.00 0.20 -ATOM 721 CG PHE A 92 1.374 21.147 -25.642 1.00 0.14 -ATOM 722 CD1 PHE A 92 2.149 21.499 -24.517 1.00 0.07 -ATOM 723 CD2 PHE A 92 1.474 21.854 -26.785 1.00 0.17 -ATOM 724 CE1 PHE A 92 2.994 22.556 -24.569 1.00 0.10 -ATOM 725 CE2 PHE A 92 2.341 22.921 -26.853 1.00 0.17 -ATOM 726 CZ PHE A 92 3.101 23.273 -25.720 1.00 0.16 -ATOM 0 H PHE A 92 -0.179 19.767 -23.290 1.00 0.19 H new -ATOM 0 HA PHE A 92 -0.995 21.648 -25.294 1.00 0.23 H new -ATOM 0 1HB PHE A 92 0.785 19.241 -25.004 1.00 0.20 H new -ATOM 0 2HB PHE A 92 0.230 19.691 -26.622 1.00 0.20 H new -ATOM 0 HD1 PHE A 92 2.066 20.911 -23.591 1.00 0.07 H new -ATOM 0 HD2 PHE A 92 0.866 21.580 -27.659 1.00 0.17 H new -ATOM 0 HE1 PHE A 92 3.590 22.833 -23.687 1.00 0.10 H new -ATOM 0 HE2 PHE A 92 2.440 23.495 -27.786 1.00 0.17 H new -ATOM 0 HZ PHE A 92 3.785 24.133 -25.767 1.00 0.16 H new -ATOM 727 N ASP A 93 -2.737 19.201 -24.870 1.00 0.28 -ATOM 728 CA ASP A 93 -3.961 18.514 -25.242 1.00 0.34 -ATOM 729 C ASP A 93 -5.136 19.367 -24.782 1.00 0.46 -ATOM 730 O ASP A 93 -5.189 19.796 -23.628 1.00 0.50 -ATOM 731 CB ASP A 93 -4.016 17.125 -24.594 1.00 0.31 -ATOM 732 CG ASP A 93 -5.199 16.301 -25.030 1.00 0.38 -ATOM 733 OD1 ASP A 93 -6.345 16.626 -24.664 1.00 1.31 -ATOM 734 OD2 ASP A 93 -4.992 15.275 -25.692 1.00 0.63 -ATOM 0 H ASP A 93 -2.432 18.993 -23.941 1.00 0.28 H new -ATOM 0 HA ASP A 93 -4.001 18.372 -26.332 1.00 0.34 H new -ATOM 0 1HB ASP A 93 -3.092 16.580 -24.836 1.00 0.31 H new -ATOM 0 2HB ASP A 93 -4.044 17.241 -23.500 1.00 0.31 H new -ATOM 735 N LYS A 94 -6.055 19.632 -25.660 1.00 0.52 -ATOM 736 CA LYS A 94 -7.139 20.551 -25.344 1.00 0.64 -ATOM 737 C LYS A 94 -8.396 19.925 -24.753 1.00 0.57 -ATOM 738 O LYS A 94 -8.730 20.159 -23.588 1.00 0.70 -ATOM 739 CB LYS A 94 -7.441 21.513 -26.512 1.00 0.78 -ATOM 740 CG LYS A 94 -6.267 22.396 -26.906 1.00 0.90 -ATOM 741 CD LYS A 94 -6.640 23.347 -28.037 1.00 1.30 -ATOM 742 CE LYS A 94 -5.479 24.259 -28.422 1.00 1.27 -ATOM 743 NZ LYS A 94 -5.036 25.120 -27.295 1.00 0.98 -ATOM 0 H LYS A 94 -6.088 19.243 -26.580 1.00 0.52 H new -ATOM 0 HA LYS A 94 -6.745 21.148 -24.508 1.00 0.64 H new -ATOM 0 1HB LYS A 94 -7.753 20.924 -27.387 1.00 0.78 H new -ATOM 0 2HB LYS A 94 -8.291 22.153 -26.235 1.00 0.78 H new -ATOM 0 1HG LYS A 94 -5.932 22.975 -26.033 1.00 0.90 H new -ATOM 0 2HG LYS A 94 -5.421 21.766 -27.218 1.00 0.90 H new -ATOM 0 1HD LYS A 94 -6.955 22.765 -28.916 1.00 1.30 H new -ATOM 0 2HD LYS A 94 -7.501 23.960 -27.731 1.00 1.30 H new -ATOM 0 1HE LYS A 94 -4.633 23.646 -28.765 1.00 1.27 H new -ATOM 0 2HE LYS A 94 -5.780 24.894 -29.268 1.00 1.27 H new -ATOM 0 1HZ LYS A 94 -4.405 25.817 -27.636 1.00 0.98 H + new -ATOM 0 2HZ LYS A 94 -5.831 25.564 -26.881 1.00 0.98 H + new -ATOM 0 3HZ LYS A 94 -4.573 24.559 -26.609 1.00 0.98 H + new -ATOM 744 N ASP A 95 -9.034 19.121 -25.515 1.00 0.44 -ATOM 745 CA ASP A 95 -10.366 18.576 -25.185 1.00 0.38 -ATOM 746 C ASP A 95 -10.282 17.310 -24.325 1.00 0.10 -ATOM 747 O ASP A 95 -11.299 16.754 -23.879 1.00 0.23 -ATOM 748 CB ASP A 95 -11.115 18.298 -26.507 1.00 0.64 -ATOM 749 CG ASP A 95 -12.495 17.690 -26.344 1.00 1.68 -ATOM 750 OD1 ASP A 95 -13.431 18.396 -25.914 1.00 2.40 -ATOM 751 OD2 ASP A 95 -12.671 16.499 -26.693 1.00 2.19 -ATOM 0 H ASP A 95 -8.677 18.801 -26.393 1.00 0.44 H new -ATOM 0 HA ASP A 95 -10.914 19.316 -24.583 1.00 0.38 H new -ATOM 0 1HB ASP A 95 -11.210 19.242 -27.063 1.00 0.64 H new -ATOM 0 2HB ASP A 95 -10.503 17.622 -27.123 1.00 0.64 H new -ATOM 752 N GLY A 96 -9.096 16.902 -24.032 1.00 0.16 -ATOM 753 CA GLY A 96 -8.929 15.636 -23.357 1.00 0.53 -ATOM 754 C GLY A 96 -9.020 14.526 -24.381 1.00 0.39 -ATOM 755 O GLY A 96 -9.925 13.695 -24.335 1.00 0.53 -ATOM 0 H GLY A 96 -8.251 17.396 -24.235 1.00 0.16 H new -ATOM 0 1HA GLY A 96 -7.957 15.603 -22.844 1.00 0.53 H new -ATOM 0 2HA GLY A 96 -9.704 15.509 -22.587 1.00 0.53 H new -ATOM 756 N ASN A 97 -8.127 14.557 -25.343 1.00 0.15 -ATOM 757 CA ASN A 97 -8.169 13.612 -26.456 1.00 0.09 -ATOM 758 C ASN A 97 -7.118 12.508 -26.327 1.00 0.18 -ATOM 759 O ASN A 97 -7.452 11.321 -26.325 1.00 0.41 -ATOM 760 CB ASN A 97 -8.020 14.356 -27.802 1.00 0.15 -ATOM 761 CG ASN A 97 -8.156 13.448 -29.019 1.00 0.38 -ATOM 762 OD1 ASN A 97 -8.833 12.423 -28.983 1.00 0.83 -ATOM 763 ND2 ASN A 97 -7.559 13.842 -30.109 1.00 1.75 -ATOM 0 H ASN A 97 -7.372 15.212 -25.384 1.00 0.15 H new -ATOM 0 HA ASN A 97 -9.152 13.120 -26.426 1.00 0.09 H new -ATOM 0 1HB ASN A 97 -8.781 15.149 -27.859 1.00 0.15 H new -ATOM 0 2HB ASN A 97 -7.038 14.850 -27.832 1.00 0.15 H new -ATOM 0 1HD2 ASN A 97 -7.645 13.305 -30.948 1.00 1.75 H new -ATOM 0 2HD2 ASN A 97 -7.015 14.681 -30.106 1.00 1.75 H new -ATOM 764 N GLY A 98 -5.878 12.891 -26.168 1.00 0.14 -ATOM 765 CA GLY A 98 -4.798 11.952 -26.149 1.00 0.17 -ATOM 766 C GLY A 98 -3.924 12.147 -27.354 1.00 0.14 -ATOM 767 O GLY A 98 -2.885 11.498 -27.506 1.00 0.21 -ATOM 0 H GLY A 98 -5.599 13.844 -26.051 1.00 0.14 H new -ATOM 0 1HA GLY A 98 -4.205 12.081 -25.231 1.00 0.17 H new -ATOM 0 2HA GLY A 98 -5.194 10.926 -26.135 1.00 0.17 H new -ATOM 768 N TYR A 99 -4.341 13.065 -28.206 1.00 0.15 -ATOM 769 CA TYR A 99 -3.663 13.364 -29.437 1.00 0.18 -ATOM 770 C TYR A 99 -3.485 14.859 -29.620 1.00 0.17 -ATOM 771 O TYR A 99 -4.368 15.657 -29.277 1.00 0.15 -ATOM 772 CB TYR A 99 -4.454 12.840 -30.636 1.00 0.17 -ATOM 773 CG TYR A 99 -4.694 11.355 -30.652 1.00 0.21 -ATOM 774 CD1 TYR A 99 -5.769 10.804 -29.970 1.00 0.63 -ATOM 775 CD2 TYR A 99 -3.864 10.511 -31.358 1.00 0.96 -ATOM 776 CE1 TYR A 99 -6.009 9.454 -29.993 1.00 0.59 -ATOM 777 CE2 TYR A 99 -4.088 9.157 -31.384 1.00 1.01 -ATOM 778 CZ TYR A 99 -5.166 8.630 -30.699 1.00 0.31 -ATOM 779 OH TYR A 99 -5.411 7.278 -30.738 1.00 0.37 -ATOM 0 H TYR A 99 -5.160 13.619 -28.055 1.00 0.15 H new -ATOM 0 HA TYR A 99 -2.680 12.874 -29.383 1.00 0.18 H new -ATOM 0 1HB TYR A 99 -5.427 13.352 -30.663 1.00 0.17 H new -ATOM 0 2HB TYR A 99 -3.919 13.118 -31.556 1.00 0.17 H new -ATOM 0 HD1 TYR A 99 -6.441 11.462 -29.400 1.00 0.63 H new -ATOM 0 HD2 TYR A 99 -3.009 10.929 -31.909 1.00 0.96 H new -ATOM 0 HE1 TYR A 99 -6.869 9.034 -29.451 1.00 0.59 H new -ATOM 0 HE2 TYR A 99 -3.413 8.495 -31.947 1.00 1.01 H new -ATOM 0 HH TYR A 99 -4.710 6.828 -31.291 1.00 0.37 H new -ATOM 780 N ILE A 100 -2.357 15.196 -30.168 1.00 0.20 -ATOM 781 CA ILE A 100 -1.979 16.530 -30.581 1.00 0.22 -ATOM 782 C ILE A 100 -1.214 16.331 -31.868 1.00 0.19 -ATOM 783 O ILE A 100 -0.929 15.208 -32.232 1.00 0.16 -ATOM 784 CB ILE A 100 -1.066 17.287 -29.537 1.00 0.28 -ATOM 785 CG1 ILE A 100 0.210 16.503 -29.188 1.00 0.35 -ATOM 786 CG2 ILE A 100 -1.820 17.667 -28.294 1.00 0.23 -ATOM 787 CD1 ILE A 100 1.012 17.111 -28.055 1.00 0.31 -ATOM 0 H ILE A 100 -1.639 14.524 -30.350 1.00 0.20 H new -ATOM 0 HA ILE A 100 -2.877 17.157 -30.684 1.00 0.22 H new -ATOM 0 HB ILE A 100 -0.751 18.216 -30.034 1.00 0.28 H new -ATOM 0 1HG1 ILE A 100 -0.066 15.473 -28.917 1.00 0.35 H new -ATOM 0 2HG1 ILE A 100 0.847 16.441 -30.083 1.00 0.35 H new -ATOM 0 1HG2 ILE A 100 -1.145 18.189 -27.600 1.00 0.23 H new -ATOM 0 2HG2 ILE A 100 -2.656 18.330 -28.560 1.00 0.23 H new -ATOM 0 3HG2 ILE A 100 -2.212 16.760 -27.810 1.00 0.23 H new -ATOM 0 1HD1 ILE A 100 1.904 16.496 -27.866 1.00 0.31 H new -ATOM 0 2HD1 ILE A 100 1.321 18.130 -28.330 1.00 0.31 H new -ATOM 0 3HD1 ILE A 100 0.394 17.148 -27.146 1.00 0.31 H new -ATOM 788 N SER A 101 -0.916 17.337 -32.563 1.00 0.21 -ATOM 789 CA SER A 101 -0.138 17.163 -33.757 1.00 0.19 -ATOM 790 C SER A 101 1.346 17.077 -33.387 1.00 0.18 -ATOM 791 O SER A 101 1.750 17.646 -32.377 1.00 0.22 -ATOM 792 CB SER A 101 -0.418 18.320 -34.718 1.00 0.23 -ATOM 793 OG SER A 101 -0.058 19.578 -34.127 1.00 0.28 -ATOM 0 H SER A 101 -1.179 18.279 -32.354 1.00 0.21 H new -ATOM 0 HA SER A 101 -0.416 16.227 -34.264 1.00 0.19 H new -ATOM 0 1HB SER A 101 0.148 18.173 -35.650 1.00 0.23 H new -ATOM 0 2HB SER A 101 -1.485 18.329 -34.987 1.00 0.23 H new -ATOM 0 HG SER A 101 -0.759 19.850 -33.468 1.00 0.28 H new -ATOM 794 N ALA A 102 2.122 16.258 -34.116 1.00 0.12 -ATOM 795 CA ALA A 102 3.609 16.240 -34.032 1.00 0.11 -ATOM 796 C ALA A 102 4.238 17.632 -33.802 1.00 0.13 -ATOM 797 O ALA A 102 5.241 17.746 -33.116 1.00 0.14 -ATOM 798 CB ALA A 102 4.165 15.676 -35.303 1.00 0.10 -ATOM 0 H ALA A 102 1.752 15.599 -34.771 1.00 0.12 H new -ATOM 0 HA ALA A 102 3.863 15.621 -33.159 1.00 0.11 H new -ATOM 0 1HB ALA A 102 5.263 15.660 -35.248 1.00 0.10 H new -ATOM 0 2HB ALA A 102 3.790 14.652 -35.445 1.00 0.10 H new -ATOM 0 3HB ALA A 102 3.850 16.302 -36.151 1.00 0.10 H new -ATOM 799 N ALA A 103 3.667 18.660 -34.386 1.00 0.14 -ATOM 800 CA ALA A 103 4.149 20.021 -34.180 1.00 0.16 -ATOM 801 C ALA A 103 3.997 20.430 -32.722 1.00 0.16 -ATOM 802 O ALA A 103 4.960 20.877 -32.089 1.00 0.18 -ATOM 803 CB ALA A 103 3.463 20.998 -35.112 1.00 0.17 -ATOM 0 H ALA A 103 2.880 18.588 -34.999 1.00 0.14 H new -ATOM 0 HA ALA A 103 5.221 20.044 -34.424 1.00 0.16 H new -ATOM 0 1HB ALA A 103 3.849 22.012 -34.930 1.00 0.17 H new -ATOM 0 2HB ALA A 103 3.662 20.712 -36.155 1.00 0.17 H new -ATOM 0 3HB ALA A 103 2.379 20.981 -34.928 1.00 0.17 H new -ATOM 804 N GLU A 104 2.810 20.249 -32.199 1.00 0.12 -ATOM 805 CA GLU A 104 2.526 20.484 -30.774 1.00 0.11 -ATOM 806 C GLU A 104 3.367 19.528 -29.914 1.00 0.11 -ATOM 807 O GLU A 104 3.854 19.908 -28.868 1.00 0.15 -ATOM 808 CB GLU A 104 1.055 20.254 -30.494 1.00 0.07 -ATOM 809 CG GLU A 104 0.139 21.169 -31.277 1.00 0.67 -ATOM 810 CD GLU A 104 -1.302 20.736 -31.239 1.00 0.57 -ATOM 811 OE1 GLU A 104 -1.673 19.815 -31.994 1.00 0.37 -ATOM 812 OE2 GLU A 104 -2.100 21.335 -30.509 1.00 0.73 -ATOM 0 H GLU A 104 2.017 19.941 -32.725 1.00 0.12 H new -ATOM 0 HA GLU A 104 2.783 21.524 -30.525 1.00 0.11 H new -ATOM 0 1HB GLU A 104 0.805 19.209 -30.730 1.00 0.07 H new -ATOM 0 2HB GLU A 104 0.869 20.395 -29.419 1.00 0.07 H new -ATOM 0 1HG GLU A 104 0.219 22.190 -30.875 1.00 0.67 H new -ATOM 0 2HG GLU A 104 0.476 21.208 -32.323 1.00 0.67 H new -ATOM 813 N LEU A 105 3.558 18.302 -30.406 1.00 0.10 -ATOM 814 CA LEU A 105 4.379 17.276 -29.737 1.00 0.12 -ATOM 815 C LEU A 105 5.798 17.809 -29.591 1.00 0.15 -ATOM 816 O LEU A 105 6.349 17.844 -28.497 1.00 0.14 -ATOM 817 CB LEU A 105 4.396 15.985 -30.579 1.00 0.11 -ATOM 818 CG LEU A 105 4.961 14.722 -29.880 1.00 0.09 -ATOM 819 CD1 LEU A 105 3.919 13.865 -29.131 1.00 0.18 -ATOM 820 CD2 LEU A 105 5.739 13.897 -30.840 1.00 0.08 -ATOM 0 H LEU A 105 3.155 17.992 -31.267 1.00 0.10 H new -ATOM 0 HA LEU A 105 3.956 17.048 -28.747 1.00 0.12 H new -ATOM 0 1HB LEU A 105 3.367 15.770 -30.904 1.00 0.11 H new -ATOM 0 2HB LEU A 105 4.988 16.172 -31.487 1.00 0.11 H new -ATOM 0 HG LEU A 105 5.626 15.103 -29.091 1.00 0.09 H new -ATOM 0 1HD1 LEU A 105 4.418 12.998 -28.673 1.00 0.18 H new -ATOM 0 2HD1 LEU A 105 3.442 14.470 -28.346 1.00 0.18 H new -ATOM 0 3HD1 LEU A 105 3.154 13.515 -29.840 1.00 0.18 H new -ATOM 0 1HD2 LEU A 105 6.131 13.007 -30.326 1.00 0.08 H new -ATOM 0 2HD2 LEU A 105 5.086 13.584 -31.668 1.00 0.08 H new -ATOM 0 3HD2 LEU A 105 6.577 14.489 -31.238 1.00 0.08 H new -ATOM 821 N ARG A 106 6.339 18.323 -30.689 1.00 0.20 -ATOM 822 CA ARG A 106 7.693 18.866 -30.707 1.00 0.23 -ATOM 823 C ARG A 106 7.773 20.140 -29.901 1.00 0.21 -ATOM 824 O ARG A 106 8.835 20.532 -29.450 1.00 0.20 -ATOM 825 CB ARG A 106 8.163 19.134 -32.135 1.00 0.26 -ATOM 826 CG ARG A 106 8.526 17.884 -32.941 1.00 0.69 -ATOM 827 CD ARG A 106 8.941 18.235 -34.364 1.00 0.55 -ATOM 828 NE ARG A 106 7.870 18.918 -35.109 1.00 1.81 -ATOM 829 CZ ARG A 106 7.289 18.460 -36.232 1.00 3.36 -ATOM 830 NH1 ARG A 106 7.696 17.325 -36.788 1.00 4.01 -ATOM 831 NH2 ARG A 106 6.343 19.177 -36.818 1.00 4.68 -ATOM 0 H ARG A 106 5.866 18.374 -31.568 1.00 0.20 H new -ATOM 0 HA ARG A 106 8.354 18.112 -30.254 1.00 0.23 H new -ATOM 0 1HB ARG A 106 7.371 19.679 -32.669 1.00 0.26 H new -ATOM 0 2HB ARG A 106 9.041 19.796 -32.098 1.00 0.26 H new -ATOM 0 1HG ARG A 106 9.346 17.349 -32.440 1.00 0.69 H new -ATOM 0 2HG ARG A 106 7.665 17.200 -32.967 1.00 0.69 H new -ATOM 0 1HD ARG A 106 9.832 18.879 -34.335 1.00 0.55 H new -ATOM 0 2HD ARG A 106 9.226 17.316 -34.897 1.00 0.55 H new -ATOM 0 HE ARG A 106 7.548 19.794 -34.750 1.00 1.81 H + new -ATOM 0 1HH1 ARG A 106 8.440 16.803 -36.372 1.00 4.01 H + new -ATOM 0 2HH1 ARG A 106 7.258 16.992 -37.623 1.00 4.01 H + new -ATOM 0 1HH2 ARG A 106 6.064 20.054 -36.425 1.00 4.68 H + new -ATOM 0 2HH2 ARG A 106 5.907 18.842 -37.653 1.00 4.68 H + new -ATOM 832 N HIS A 107 6.652 20.776 -29.712 1.00 0.22 -ATOM 833 CA HIS A 107 6.593 21.978 -28.970 1.00 0.20 -ATOM 834 C HIS A 107 6.757 21.614 -27.495 1.00 0.19 -ATOM 835 O HIS A 107 7.645 22.136 -26.828 1.00 0.17 -ATOM 836 CB HIS A 107 5.243 22.654 -29.175 1.00 0.21 -ATOM 837 CG HIS A 107 5.261 24.143 -29.046 1.00 0.25 -ATOM 838 ND1 HIS A 107 5.969 24.982 -29.876 1.00 0.24 -ATOM 839 CD2 HIS A 107 4.667 24.929 -28.160 1.00 0.43 -ATOM 840 CE1 HIS A 107 5.779 26.230 -29.461 1.00 0.27 -ATOM 841 NE2 HIS A 107 4.990 26.253 -28.412 1.00 0.38 -ATOM 0 H HIS A 107 5.770 20.469 -30.069 1.00 0.22 H new -ATOM 0 HA HIS A 107 7.383 22.669 -29.298 1.00 0.20 H new -ATOM 0 1HB HIS A 107 4.865 22.391 -30.174 1.00 0.21 H new -ATOM 0 2HB HIS A 107 4.530 22.246 -28.444 1.00 0.21 H new -ATOM 0 HD2 HIS A 107 4.014 24.582 -27.345 1.00 0.43 H new -ATOM 0 HE1 HIS A 107 6.222 27.120 -29.931 1.00 0.27 H new -ATOM 0 HE2 HIS A 107 4.686 27.057 -27.902 1.00 0.38 H new -ATOM 842 N VAL A 108 5.919 20.660 -27.023 1.00 0.21 -ATOM 843 CA VAL A 108 5.946 20.184 -25.643 1.00 0.22 -ATOM 844 C VAL A 108 7.364 19.729 -25.310 1.00 0.22 -ATOM 845 O VAL A 108 7.989 20.201 -24.367 1.00 0.23 -ATOM 846 CB VAL A 108 5.085 18.905 -25.459 1.00 0.21 -ATOM 847 CG1 VAL A 108 5.058 18.467 -24.000 1.00 0.26 -ATOM 848 CG2 VAL A 108 3.709 19.115 -25.892 1.00 0.23 -ATOM 0 H VAL A 108 5.223 20.215 -27.587 1.00 0.21 H new -ATOM 0 HA VAL A 108 5.577 21.007 -25.014 1.00 0.22 H new -ATOM 0 HB VAL A 108 5.551 18.126 -26.080 1.00 0.21 H new -ATOM 0 1HG1 VAL A 108 4.442 17.561 -23.900 1.00 0.26 H new -ATOM 0 2HG1 VAL A 108 6.083 18.253 -23.662 1.00 0.26 H new -ATOM 0 3HG1 VAL A 108 4.630 19.271 -23.383 1.00 0.26 H new -ATOM 0 1HG2 VAL A 108 3.133 18.189 -25.746 1.00 0.23 H new -ATOM 0 2HG2 VAL A 108 3.257 19.924 -25.300 1.00 0.23 H new -ATOM 0 3HG2 VAL A 108 3.697 19.390 -26.957 1.00 0.23 H new -ATOM 849 N MET A 109 7.879 18.849 -26.180 1.00 0.19 -ATOM 850 CA MET A 109 9.135 18.154 -25.962 1.00 0.19 -ATOM 851 C MET A 109 10.327 19.100 -25.876 1.00 0.18 -ATOM 852 O MET A 109 11.130 19.008 -24.939 1.00 0.18 -ATOM 853 CB MET A 109 9.330 17.024 -27.021 1.00 0.15 -ATOM 854 CG MET A 109 8.251 15.973 -26.946 1.00 0.21 -ATOM 855 SD MET A 109 8.208 14.821 -28.343 1.00 0.28 -ATOM 856 CE MET A 109 9.771 13.996 -28.185 1.00 0.27 -ATOM 0 H MET A 109 7.433 18.609 -27.042 1.00 0.19 H new -ATOM 0 HA MET A 109 9.081 17.674 -24.974 1.00 0.19 H new -ATOM 0 1HB MET A 109 9.338 17.466 -28.028 1.00 0.15 H new -ATOM 0 2HB MET A 109 10.311 16.550 -26.871 1.00 0.15 H new -ATOM 0 1HG MET A 109 8.385 15.397 -26.019 1.00 0.21 H new -ATOM 0 2HG MET A 109 7.275 16.475 -26.874 1.00 0.21 H new -ATOM 0 1HE MET A 109 9.981 13.429 -29.104 1.00 0.27 H new -ATOM 0 2HE MET A 109 10.565 14.741 -28.024 1.00 0.27 H new -ATOM 0 3HE MET A 109 9.737 13.306 -27.329 1.00 0.27 H new -ATOM 857 N THR A 110 10.404 20.050 -26.779 1.00 0.18 -ATOM 858 CA THR A 110 11.505 20.924 -26.834 1.00 0.17 -ATOM 859 C THR A 110 11.395 22.010 -25.749 1.00 0.17 -ATOM 860 O THR A 110 12.402 22.427 -25.174 1.00 0.15 -ATOM 861 CB THR A 110 11.605 21.532 -28.251 1.00 0.17 -ATOM 862 OG1 THR A 110 11.447 20.474 -29.225 1.00 0.24 -ATOM 863 CG2 THR A 110 12.955 22.091 -28.449 1.00 0.17 -ATOM 0 H THR A 110 9.706 20.218 -27.475 1.00 0.18 H new -ATOM 0 HA THR A 110 12.430 20.364 -26.631 1.00 0.17 H new -ATOM 0 HB THR A 110 10.833 22.308 -28.365 1.00 0.17 H new -ATOM 0 HG1 THR A 110 10.507 20.473 -29.567 1.00 0.24 H new -ATOM 0 1HG2 THR A 110 13.029 22.524 -29.457 1.00 0.17 H new -ATOM 0 2HG2 THR A 110 13.142 22.874 -27.699 1.00 0.17 H new -ATOM 0 3HG2 THR A 110 13.703 21.292 -28.338 1.00 0.17 H new -ATOM 864 N ASN A 111 10.177 22.417 -25.412 1.00 0.18 -ATOM 865 CA ASN A 111 10.000 23.447 -24.395 1.00 0.19 -ATOM 866 C ASN A 111 10.199 22.882 -23.008 1.00 0.23 -ATOM 867 O ASN A 111 10.415 23.628 -22.044 1.00 0.32 -ATOM 868 CB ASN A 111 8.651 24.165 -24.499 1.00 0.14 -ATOM 869 CG ASN A 111 8.480 24.954 -25.787 1.00 1.65 -ATOM 870 OD1 ASN A 111 9.452 25.412 -26.407 1.00 3.29 -ATOM 871 ND2 ASN A 111 7.255 25.159 -26.184 1.00 1.49 -ATOM 0 H ASN A 111 9.330 22.065 -25.810 1.00 0.18 H new -ATOM 0 HA ASN A 111 10.776 24.203 -24.584 1.00 0.19 H new -ATOM 0 1HB ASN A 111 7.843 23.422 -24.424 1.00 0.14 H new -ATOM 0 2HB ASN A 111 8.541 24.848 -23.643 1.00 0.14 H new -ATOM 0 1HD2 ASN A 111 7.080 25.698 -27.008 1.00 1.49 H new -ATOM 0 2HD2 ASN A 111 6.491 24.777 -25.664 1.00 1.49 H new -ATOM 872 N LEU A 112 10.115 21.570 -22.904 1.00 0.21 -ATOM 873 CA LEU A 112 10.365 20.879 -21.644 1.00 0.25 -ATOM 874 C LEU A 112 11.772 21.002 -21.141 1.00 0.28 -ATOM 875 O LEU A 112 12.005 21.061 -19.945 1.00 0.38 -ATOM 876 CB LEU A 112 9.906 19.425 -21.637 1.00 0.22 -ATOM 877 CG LEU A 112 8.410 19.170 -21.458 1.00 0.35 -ATOM 878 CD1 LEU A 112 8.132 17.683 -21.335 1.00 0.46 -ATOM 879 CD2 LEU A 112 7.859 19.925 -20.258 1.00 0.29 -ATOM 0 H LEU A 112 9.879 20.965 -23.665 1.00 0.21 H new -ATOM 0 HA LEU A 112 9.729 21.422 -20.929 1.00 0.25 H new -ATOM 0 1HB LEU A 112 10.220 18.963 -22.584 1.00 0.22 H new -ATOM 0 2HB LEU A 112 10.441 18.902 -20.831 1.00 0.22 H new -ATOM 0 HG LEU A 112 7.894 19.547 -22.354 1.00 0.35 H new -ATOM 0 1HD1 LEU A 112 7.052 17.521 -21.207 1.00 0.46 H new -ATOM 0 2HD1 LEU A 112 8.474 17.169 -22.245 1.00 0.46 H new -ATOM 0 3HD1 LEU A 112 8.668 17.280 -20.463 1.00 0.46 H new -ATOM 0 1HD2 LEU A 112 6.783 19.720 -20.158 1.00 0.29 H new -ATOM 0 2HD2 LEU A 112 8.381 19.597 -19.347 1.00 0.29 H new -ATOM 0 3HD2 LEU A 112 8.015 21.005 -20.400 1.00 0.29 H new -ATOM 880 N GLY A 113 12.665 21.063 -22.028 1.00 0.27 -ATOM 881 CA GLY A 113 14.057 21.146 -21.666 1.00 0.40 -ATOM 882 C GLY A 113 14.586 19.820 -21.159 1.00 0.12 -ATOM 883 O GLY A 113 15.331 19.759 -20.172 1.00 0.41 -ATOM 0 H GLY A 113 12.486 21.059 -23.012 1.00 0.27 H new -ATOM 0 1HA GLY A 113 14.645 21.466 -22.539 1.00 0.40 H new -ATOM 0 2HA GLY A 113 14.189 21.915 -20.890 1.00 0.40 H new -ATOM 884 N GLU A 114 14.182 18.762 -21.809 1.00 0.31 -ATOM 885 CA GLU A 114 14.646 17.479 -21.539 1.00 0.72 -ATOM 886 C GLU A 114 15.885 17.292 -22.446 1.00 0.92 -ATOM 887 O GLU A 114 16.067 18.071 -23.389 1.00 0.85 -ATOM 888 CB GLU A 114 13.484 16.465 -21.800 1.00 1.08 -ATOM 889 CG GLU A 114 13.927 15.085 -21.804 1.00 1.92 -ATOM 890 CD GLU A 114 14.493 14.589 -20.480 1.00 1.96 -ATOM 891 OE1 GLU A 114 15.730 14.656 -20.296 1.00 1.49 -ATOM 892 OE2 GLU A 114 13.731 14.129 -19.611 1.00 3.09 -ATOM 0 H GLU A 114 13.509 18.798 -22.548 1.00 0.31 H new -ATOM 0 HA GLU A 114 14.950 17.310 -20.495 1.00 0.72 H new -ATOM 0 1HB GLU A 114 12.712 16.594 -21.027 1.00 1.08 H new -ATOM 0 2HB GLU A 114 13.013 16.696 -22.767 1.00 1.08 H new -ATOM 0 1HG GLU A 114 13.079 14.444 -22.086 1.00 1.92 H new -ATOM 0 2HG GLU A 114 14.695 14.964 -22.582 1.00 1.92 H new -ATOM 893 N LYS A 115 16.718 16.301 -22.186 1.00 1.31 -ATOM 894 CA LYS A 115 17.983 16.101 -22.925 1.00 1.59 -ATOM 895 C LYS A 115 17.777 15.473 -24.302 1.00 1.35 -ATOM 896 O LYS A 115 18.572 14.663 -24.783 1.00 1.68 -ATOM 897 CB LYS A 115 18.950 15.289 -22.113 1.00 2.12 -ATOM 898 CG LYS A 115 19.528 16.021 -20.902 1.00 2.49 -ATOM 899 CD LYS A 115 20.305 17.270 -21.305 1.00 1.35 -ATOM 900 CE LYS A 115 20.902 17.973 -20.097 1.00 0.78 -ATOM 901 NZ LYS A 115 21.578 19.232 -20.467 1.00 1.09 -ATOM 0 H LYS A 115 16.554 15.618 -21.474 1.00 1.31 H new -ATOM 0 HA LYS A 115 18.407 17.102 -23.095 1.00 1.59 H new -ATOM 0 1HB LYS A 115 18.443 14.376 -21.767 1.00 2.12 H new -ATOM 0 2HB LYS A 115 19.778 14.970 -22.763 1.00 2.12 H new -ATOM 0 1HG LYS A 115 18.711 16.302 -20.221 1.00 2.49 H new -ATOM 0 2HG LYS A 115 20.191 15.342 -20.346 1.00 2.49 H new -ATOM 0 1HD LYS A 115 21.108 16.994 -22.004 1.00 1.35 H new -ATOM 0 2HD LYS A 115 19.637 17.962 -21.840 1.00 1.35 H new -ATOM 0 1HE LYS A 115 20.107 18.186 -19.368 1.00 0.78 H new -ATOM 0 2HE LYS A 115 21.621 17.303 -19.603 1.00 0.78 H new -ATOM 0 1HZ LYS A 115 21.956 19.662 -19.647 1.00 1.09 H + new -ATOM 0 2HZ LYS A 115 22.318 19.037 -21.111 1.00 1.09 H + new -ATOM 0 3HZ LYS A 115 20.919 19.852 -20.894 1.00 1.09 H + new -ATOM 902 N LEU A 116 16.772 15.923 -24.926 1.00 0.85 -ATOM 903 CA LEU A 116 16.395 15.531 -26.231 1.00 0.73 -ATOM 904 C LEU A 116 17.075 16.472 -27.216 1.00 0.58 -ATOM 905 O LEU A 116 17.104 17.701 -27.015 1.00 0.74 -ATOM 906 CB LEU A 116 14.826 15.522 -26.358 1.00 0.79 -ATOM 907 CG LEU A 116 14.237 16.624 -27.133 1.00 2.29 -ATOM 908 CD1 LEU A 116 14.339 16.243 -28.563 1.00 2.97 -ATOM 909 CD2 LEU A 116 12.831 16.880 -26.731 1.00 3.84 -ATOM 0 H LEU A 116 16.157 16.605 -24.530 1.00 0.85 H new -ATOM 0 HA LEU A 116 16.722 14.505 -26.456 1.00 0.73 H new -ATOM 0 1HB LEU A 116 14.521 14.571 -26.820 1.00 0.79 H new -ATOM 0 2HB LEU A 116 14.396 15.541 -25.346 1.00 0.79 H new -ATOM 0 HG LEU A 116 14.776 17.565 -26.946 1.00 2.29 H new -ATOM 0 1HD1 LEU A 116 13.909 17.040 -29.187 1.00 2.97 H new -ATOM 0 2HD1 LEU A 116 15.396 16.099 -28.830 1.00 2.97 H new -ATOM 0 3HD1 LEU A 116 13.787 15.307 -28.734 1.00 2.97 H new -ATOM 0 1HD2 LEU A 116 12.423 17.708 -27.329 1.00 3.84 H new -ATOM 0 2HD2 LEU A 116 12.230 15.975 -26.901 1.00 3.84 H new -ATOM 0 3HD2 LEU A 116 12.797 17.147 -25.665 1.00 3.84 H new -ATOM 910 N THR A 117 17.680 15.897 -28.222 1.00 0.71 -ATOM 911 CA THR A 117 18.211 16.654 -29.312 1.00 0.72 -ATOM 912 C THR A 117 17.250 16.463 -30.472 1.00 0.48 -ATOM 913 O THR A 117 16.628 15.380 -30.590 1.00 0.31 -ATOM 914 CB THR A 117 19.646 16.199 -29.712 1.00 1.07 -ATOM 915 OG1 THR A 117 19.654 14.811 -30.080 1.00 1.04 -ATOM 916 CG2 THR A 117 20.628 16.430 -28.571 1.00 1.39 -ATOM 0 H THR A 117 17.813 14.909 -28.302 1.00 0.71 H new -ATOM 0 HA THR A 117 18.304 17.712 -29.024 1.00 0.72 H new -ATOM 0 HB THR A 117 19.959 16.802 -30.577 1.00 1.07 H new -ATOM 0 HG1 THR A 117 19.810 14.251 -29.266 1.00 1.04 H new -ATOM 0 1HG2 THR A 117 21.632 16.101 -28.878 1.00 1.39 H new -ATOM 0 2HG2 THR A 117 20.654 17.501 -28.320 1.00 1.39 H new -ATOM 0 3HG2 THR A 117 20.308 15.855 -27.689 1.00 1.39 H new -ATOM 917 N ASP A 118 17.092 17.472 -31.306 1.00 0.58 -ATOM 918 CA ASP A 118 16.120 17.424 -32.407 1.00 0.55 -ATOM 919 C ASP A 118 16.388 16.236 -33.364 1.00 0.44 -ATOM 920 O ASP A 118 15.480 15.720 -33.987 1.00 0.39 -ATOM 921 CB ASP A 118 16.100 18.758 -33.164 1.00 0.82 -ATOM 922 CG ASP A 118 15.019 18.834 -34.226 1.00 1.02 -ATOM 923 OD1 ASP A 118 15.346 18.830 -35.434 1.00 0.79 -ATOM 924 OD2 ASP A 118 13.813 18.926 -33.876 1.00 2.24 -ATOM 0 H ASP A 118 17.611 18.325 -31.252 1.00 0.58 H new -ATOM 0 HA ASP A 118 15.125 17.260 -31.968 1.00 0.55 H new -ATOM 0 1HB ASP A 118 15.954 19.577 -32.444 1.00 0.82 H new -ATOM 0 2HB ASP A 118 17.080 18.917 -33.638 1.00 0.82 H new -ATOM 925 N GLU A 119 17.635 15.785 -33.418 1.00 0.43 -ATOM 926 CA GLU A 119 18.029 14.647 -34.248 1.00 0.32 -ATOM 927 C GLU A 119 17.507 13.347 -33.657 1.00 0.19 -ATOM 928 O GLU A 119 16.969 12.502 -34.373 1.00 0.20 -ATOM 929 CB GLU A 119 19.564 14.557 -34.404 1.00 0.39 -ATOM 930 CG GLU A 119 20.253 15.707 -35.143 1.00 0.44 -ATOM 931 CD GLU A 119 19.979 17.065 -34.557 1.00 0.84 -ATOM 932 OE1 GLU A 119 19.463 17.940 -35.289 1.00 1.62 -ATOM 933 OE2 GLU A 119 20.212 17.266 -33.340 1.00 1.43 -ATOM 0 H GLU A 119 18.389 16.188 -32.899 1.00 0.43 H new -ATOM 0 HA GLU A 119 17.586 14.804 -35.243 1.00 0.32 H new -ATOM 0 1HB GLU A 119 20.006 14.481 -33.400 1.00 0.39 H new -ATOM 0 2HB GLU A 119 19.800 13.621 -34.931 1.00 0.39 H new -ATOM 0 1HG GLU A 119 21.339 15.531 -35.141 1.00 0.44 H new -ATOM 0 2HG GLU A 119 19.928 15.701 -36.194 1.00 0.44 H new -ATOM 934 N GLU A 120 17.686 13.176 -32.359 1.00 0.18 -ATOM 935 CA GLU A 120 17.175 11.983 -31.683 1.00 0.22 -ATOM 936 C GLU A 120 15.661 11.937 -31.773 1.00 0.21 -ATOM 937 O GLU A 120 15.064 10.871 -31.919 1.00 0.36 -ATOM 938 CB GLU A 120 17.590 11.945 -30.227 1.00 0.32 -ATOM 939 CG GLU A 120 19.073 11.765 -29.983 1.00 0.44 -ATOM 940 CD GLU A 120 19.397 11.918 -28.530 1.00 0.42 -ATOM 941 OE1 GLU A 120 19.422 13.066 -28.046 1.00 1.27 -ATOM 942 OE2 GLU A 120 19.585 10.904 -27.837 1.00 0.56 -ATOM 0 H GLU A 120 18.165 13.822 -31.765 1.00 0.18 H new -ATOM 0 HA GLU A 120 17.607 11.107 -32.190 1.00 0.22 H new -ATOM 0 1HB GLU A 120 17.267 12.880 -29.746 1.00 0.32 H new -ATOM 0 2HB GLU A 120 17.051 11.125 -29.730 1.00 0.32 H new -ATOM 0 1HG GLU A 120 19.388 10.770 -30.331 1.00 0.44 H new -ATOM 0 2HG GLU A 120 19.638 12.505 -30.569 1.00 0.44 H new -ATOM 943 N VAL A 121 15.041 13.100 -31.709 1.00 0.10 -ATOM 944 CA VAL A 121 13.620 13.194 -31.797 1.00 0.12 -ATOM 945 C VAL A 121 13.170 12.830 -33.165 1.00 0.14 -ATOM 946 O VAL A 121 12.272 12.041 -33.335 1.00 0.22 -ATOM 947 CB VAL A 121 13.138 14.590 -31.365 1.00 0.09 -ATOM 948 CG1 VAL A 121 12.837 15.571 -32.446 1.00 0.49 -ATOM 949 CG2 VAL A 121 12.046 14.473 -30.472 1.00 0.36 -ATOM 0 H VAL A 121 15.508 13.977 -31.597 1.00 0.10 H new -ATOM 0 HA VAL A 121 13.163 12.476 -31.100 1.00 0.12 H new -ATOM 0 HB VAL A 121 14.014 15.030 -30.867 1.00 0.09 H new -ATOM 0 1HG1 VAL A 121 12.505 16.520 -31.999 1.00 0.49 H new -ATOM 0 2HG1 VAL A 121 13.742 15.746 -33.046 1.00 0.49 H new -ATOM 0 3HG1 VAL A 121 12.041 15.173 -33.092 1.00 0.49 H new -ATOM 0 1HG2 VAL A 121 11.710 15.476 -30.170 1.00 0.36 H new -ATOM 0 2HG2 VAL A 121 11.220 13.944 -30.970 1.00 0.36 H new -ATOM 0 3HG2 VAL A 121 12.359 13.908 -29.582 1.00 0.36 H new -ATOM 950 N ASP A 122 13.835 13.389 -34.103 1.00 0.11 -ATOM 951 CA ASP A 122 13.622 13.095 -35.534 1.00 0.12 -ATOM 952 C ASP A 122 13.701 11.583 -35.818 1.00 0.12 -ATOM 953 O ASP A 122 12.923 11.053 -36.620 1.00 0.13 -ATOM 954 CB ASP A 122 14.605 13.872 -36.415 1.00 0.13 -ATOM 955 CG ASP A 122 14.440 13.577 -37.886 1.00 0.22 -ATOM 956 OD1 ASP A 122 13.402 13.931 -38.469 1.00 0.87 -ATOM 957 OD2 ASP A 122 15.359 13.009 -38.496 1.00 1.44 -ATOM 0 H ASP A 122 14.550 14.068 -33.936 1.00 0.11 H new -ATOM 0 HA ASP A 122 12.605 13.429 -35.789 1.00 0.12 H new -ATOM 0 1HB ASP A 122 14.467 14.950 -36.245 1.00 0.13 H new -ATOM 0 2HB ASP A 122 15.633 13.627 -36.111 1.00 0.13 H new -ATOM 958 N GLU A 123 14.589 10.893 -35.110 1.00 0.12 -ATOM 959 CA GLU A 123 14.707 9.434 -35.234 1.00 0.16 -ATOM 960 C GLU A 123 13.484 8.747 -34.603 1.00 0.11 -ATOM 961 O GLU A 123 12.896 7.844 -35.199 1.00 0.13 -ATOM 962 CB GLU A 123 16.022 8.876 -34.621 1.00 0.22 -ATOM 963 CG GLU A 123 17.308 9.154 -35.411 1.00 1.60 -ATOM 964 CD GLU A 123 17.299 8.560 -36.795 1.00 2.48 -ATOM 965 OE1 GLU A 123 17.483 7.333 -36.933 1.00 2.89 -ATOM 966 OE2 GLU A 123 17.149 9.309 -37.774 1.00 3.34 -ATOM 0 H GLU A 123 15.225 11.305 -34.458 1.00 0.12 H new -ATOM 0 HA GLU A 123 14.743 9.207 -36.310 1.00 0.16 H new -ATOM 0 1HB GLU A 123 16.139 9.296 -33.611 1.00 0.22 H new -ATOM 0 2HB GLU A 123 15.915 7.787 -34.506 1.00 0.22 H new -ATOM 0 1HG GLU A 123 17.455 10.241 -35.488 1.00 1.60 H new -ATOM 0 2HG GLU A 123 18.167 8.752 -34.853 1.00 1.60 H new -ATOM 967 N MET A 124 13.080 9.216 -33.423 1.00 0.06 -ATOM 968 CA MET A 124 11.914 8.676 -32.709 1.00 0.04 -ATOM 969 C MET A 124 10.610 8.969 -33.453 1.00 0.04 -ATOM 970 O MET A 124 9.696 8.160 -33.476 1.00 0.05 -ATOM 971 CB MET A 124 11.886 9.162 -31.246 1.00 0.08 -ATOM 972 CG MET A 124 13.058 8.646 -30.411 1.00 0.09 -ATOM 973 SD MET A 124 12.929 9.029 -28.636 1.00 0.23 -ATOM 974 CE MET A 124 12.901 10.822 -28.637 1.00 1.10 -ATOM 0 H MET A 124 13.538 9.964 -32.942 1.00 0.06 H new -ATOM 0 HA MET A 124 12.011 7.581 -32.680 1.00 0.04 H new -ATOM 0 1HB MET A 124 11.893 10.262 -31.233 1.00 0.08 H new -ATOM 0 2HB MET A 124 10.943 8.841 -30.779 1.00 0.08 H new -ATOM 0 1HG MET A 124 13.131 7.556 -30.536 1.00 0.09 H new -ATOM 0 2HG MET A 124 13.991 9.078 -30.802 1.00 0.09 H new -ATOM 0 1HE MET A 124 12.986 11.191 -27.604 1.00 1.10 H new -ATOM 0 2HE MET A 124 13.744 11.202 -29.233 1.00 1.10 H new -ATOM 0 3HE MET A 124 11.955 11.174 -29.075 1.00 1.10 H new -ATOM 975 N ILE A 125 10.571 10.103 -34.113 1.00 0.06 -ATOM 976 CA ILE A 125 9.441 10.556 -34.949 1.00 0.07 -ATOM 977 C ILE A 125 9.307 9.681 -36.200 1.00 0.11 -ATOM 978 O ILE A 125 8.240 9.564 -36.786 1.00 0.15 -ATOM 979 CB ILE A 125 9.648 12.070 -35.290 1.00 0.08 -ATOM 980 CG1 ILE A 125 9.430 12.942 -34.020 1.00 0.07 -ATOM 981 CG2 ILE A 125 8.813 12.552 -36.482 1.00 0.09 -ATOM 982 CD1 ILE A 125 9.763 14.402 -34.174 1.00 0.11 -ATOM 0 H ILE A 125 11.327 10.758 -34.094 1.00 0.06 H new -ATOM 0 HA ILE A 125 8.493 10.451 -34.401 1.00 0.07 H new -ATOM 0 HB ILE A 125 10.691 12.188 -35.618 1.00 0.08 H new -ATOM 0 1HG1 ILE A 125 8.378 12.854 -33.712 1.00 0.07 H new -ATOM 0 2HG1 ILE A 125 10.040 12.529 -33.203 1.00 0.07 H new -ATOM 0 1HG2 ILE A 125 9.010 13.619 -36.661 1.00 0.09 H new -ATOM 0 2HG2 ILE A 125 9.084 11.974 -37.378 1.00 0.09 H new -ATOM 0 3HG2 ILE A 125 7.744 12.409 -36.264 1.00 0.09 H new -ATOM 0 1HD1 ILE A 125 9.574 14.924 -33.224 1.00 0.11 H new -ATOM 0 2HD1 ILE A 125 10.823 14.510 -34.447 1.00 0.11 H new -ATOM 0 3HD1 ILE A 125 9.135 14.841 -34.964 1.00 0.11 H new -ATOM 983 N ARG A 126 10.382 9.052 -36.578 1.00 0.13 -ATOM 984 CA ARG A 126 10.346 8.084 -37.677 1.00 0.18 -ATOM 985 C ARG A 126 9.684 6.766 -37.204 1.00 0.18 -ATOM 986 O ARG A 126 9.195 5.987 -38.010 1.00 0.24 -ATOM 987 CB ARG A 126 11.760 7.819 -38.249 1.00 0.19 -ATOM 988 CG ARG A 126 12.401 9.033 -38.933 1.00 0.31 -ATOM 989 CD ARG A 126 13.855 8.801 -39.283 1.00 0.52 -ATOM 990 NE ARG A 126 14.526 10.080 -39.550 1.00 0.96 -ATOM 991 CZ ARG A 126 15.400 10.324 -40.524 1.00 1.06 -ATOM 992 NH1 ARG A 126 15.709 9.388 -41.409 1.00 1.15 -ATOM 993 NH2 ARG A 126 15.967 11.511 -40.600 1.00 1.79 -ATOM 0 H ARG A 126 11.283 9.177 -36.162 1.00 0.13 H new -ATOM 0 HA ARG A 126 9.741 8.512 -38.490 1.00 0.18 H new -ATOM 0 1HB ARG A 126 12.416 7.484 -37.432 1.00 0.19 H new -ATOM 0 2HB ARG A 126 11.701 6.993 -38.973 1.00 0.19 H new -ATOM 0 1HG ARG A 126 11.841 9.272 -39.849 1.00 0.31 H new -ATOM 0 2HG ARG A 126 12.322 9.907 -38.270 1.00 0.31 H new -ATOM 0 1HD ARG A 126 14.360 8.280 -38.456 1.00 0.52 H new -ATOM 0 2HD ARG A 126 13.927 8.149 -40.166 1.00 0.52 H new -ATOM 0 HE ARG A 126 14.305 10.842 -38.941 1.00 0.96 H + new -ATOM 0 1HH1 ARG A 126 15.284 8.485 -41.350 1.00 1.15 H + new -ATOM 0 2HH1 ARG A 126 16.367 9.585 -42.136 1.00 1.15 H + new -ATOM 0 1HH2 ARG A 126 15.739 12.218 -39.930 1.00 1.79 H + new -ATOM 0 2HH2 ARG A 126 16.625 11.705 -41.328 1.00 1.79 H + new -ATOM 994 N GLU A 127 9.635 6.566 -35.882 1.00 0.17 -ATOM 995 CA GLU A 127 9.065 5.372 -35.267 1.00 0.23 -ATOM 996 C GLU A 127 7.696 5.624 -34.632 1.00 0.21 -ATOM 997 O GLU A 127 7.226 4.845 -33.789 1.00 0.23 -ATOM 998 CB GLU A 127 9.971 4.864 -34.208 1.00 0.27 -ATOM 999 CG GLU A 127 11.168 4.118 -34.724 1.00 0.33 -ATOM 1000 CD GLU A 127 12.023 3.589 -33.619 1.00 0.97 -ATOM 1001 OE1 GLU A 127 13.135 4.109 -33.399 1.00 1.45 -ATOM 1002 OE2 GLU A 127 11.584 2.649 -32.926 1.00 1.78 -ATOM 0 H GLU A 127 9.988 7.226 -35.219 1.00 0.17 H new -ATOM 0 HA GLU A 127 8.943 4.638 -36.077 1.00 0.23 H new -ATOM 0 1HB GLU A 127 10.317 5.713 -33.600 1.00 0.27 H new -ATOM 0 2HB GLU A 127 9.400 4.201 -33.541 1.00 0.27 H new -ATOM 0 1HG GLU A 127 10.833 3.283 -35.357 1.00 0.33 H new -ATOM 0 2HG GLU A 127 11.767 4.785 -35.361 1.00 0.33 H new -ATOM 1003 N ALA A 128 7.067 6.641 -35.062 1.00 0.18 -ATOM 1004 CA ALA A 128 5.818 7.039 -34.663 1.00 0.17 -ATOM 1005 C ALA A 128 5.247 7.452 -35.973 1.00 0.15 -ATOM 1006 O ALA A 128 5.903 8.200 -36.679 1.00 0.14 -ATOM 1007 CB ALA A 128 5.911 8.268 -33.762 1.00 0.15 -ATOM 0 H ALA A 128 7.458 7.249 -35.753 1.00 0.18 H new -ATOM 0 HA ALA A 128 5.253 6.278 -34.104 1.00 0.17 H new -ATOM 0 1HB ALA A 128 4.901 8.573 -33.452 1.00 0.15 H new -ATOM 0 2HB ALA A 128 6.510 8.026 -32.872 1.00 0.15 H new -ATOM 0 3HB ALA A 128 6.389 9.092 -34.313 1.00 0.15 H new -ATOM 1008 N ASP A 129 4.170 6.899 -36.388 1.00 0.15 -ATOM 1009 CA ASP A 129 3.555 7.323 -37.658 1.00 0.14 -ATOM 1010 C ASP A 129 2.981 8.732 -37.564 1.00 0.13 -ATOM 1011 O ASP A 129 1.795 8.953 -37.387 1.00 0.13 -ATOM 1012 CB ASP A 129 2.548 6.327 -38.244 1.00 0.13 -ATOM 1013 CG ASP A 129 2.072 6.778 -39.607 1.00 1.90 -ATOM 1014 OD1 ASP A 129 2.939 7.048 -40.479 1.00 2.86 -ATOM 1015 OD2 ASP A 129 0.841 6.835 -39.838 1.00 2.84 -ATOM 0 H ASP A 129 3.684 6.170 -35.906 1.00 0.15 H new -ATOM 0 HA ASP A 129 4.381 7.341 -38.384 1.00 0.14 H new -ATOM 0 1HB ASP A 129 3.013 5.333 -38.324 1.00 0.13 H new -ATOM 0 2HB ASP A 129 1.688 6.226 -37.565 1.00 0.13 H new -ATOM 1016 N ILE A 130 3.896 9.649 -37.556 1.00 0.14 -ATOM 1017 CA ILE A 130 3.678 11.075 -37.458 1.00 0.15 -ATOM 1018 C ILE A 130 3.275 11.757 -38.788 1.00 0.24 -ATOM 1019 O ILE A 130 2.844 12.915 -38.860 1.00 0.44 -ATOM 1020 CB ILE A 130 4.928 11.683 -36.805 1.00 0.08 -ATOM 1021 CG1 ILE A 130 4.938 11.449 -35.274 1.00 0.11 -ATOM 1022 CG2 ILE A 130 5.227 13.072 -37.249 1.00 0.06 -ATOM 1023 CD1 ILE A 130 5.763 12.425 -34.463 1.00 0.13 -ATOM 0 H ILE A 130 4.867 9.419 -37.621 1.00 0.14 H new -ATOM 0 HA ILE A 130 2.795 11.263 -36.829 1.00 0.15 H new -ATOM 0 HB ILE A 130 5.799 11.129 -37.185 1.00 0.08 H new -ATOM 0 1HG1 ILE A 130 3.901 11.485 -34.910 1.00 0.11 H new -ATOM 0 2HG1 ILE A 130 5.312 10.433 -35.080 1.00 0.11 H new -ATOM 0 1HG2 ILE A 130 6.132 13.434 -36.739 1.00 0.06 H new -ATOM 0 2HG2 ILE A 130 5.391 13.083 -38.337 1.00 0.06 H new -ATOM 0 3HG2 ILE A 130 4.379 13.727 -37.000 1.00 0.06 H new -ATOM 0 1HD1 ILE A 130 5.697 12.164 -33.396 1.00 0.13 H new -ATOM 0 2HD1 ILE A 130 6.813 12.377 -34.788 1.00 0.13 H new -ATOM 0 3HD1 ILE A 130 5.380 13.445 -34.615 1.00 0.13 H new -ATOM 1024 N ASP A 131 3.272 10.996 -39.720 1.00 0.19 -ATOM 1025 CA ASP A 131 3.016 11.321 -41.043 1.00 0.26 -ATOM 1026 C ASP A 131 1.750 10.575 -41.321 1.00 0.49 -ATOM 1027 O ASP A 131 1.126 10.064 -40.392 1.00 0.61 -ATOM 1028 CB ASP A 131 4.198 10.849 -41.946 1.00 0.15 -ATOM 1029 CG ASP A 131 4.187 11.464 -43.325 1.00 0.16 -ATOM 1030 OD1 ASP A 131 4.865 12.482 -43.543 1.00 1.01 -ATOM 1031 OD2 ASP A 131 3.514 10.920 -44.218 1.00 1.13 -ATOM 0 H ASP A 131 3.464 10.022 -39.601 1.00 0.19 H new -ATOM 0 HA ASP A 131 2.917 12.399 -41.241 1.00 0.26 H new -ATOM 0 1HB ASP A 131 5.148 11.097 -41.451 1.00 0.15 H new -ATOM 0 2HB ASP A 131 4.161 9.754 -42.042 1.00 0.15 H new -ATOM 1032 N GLY A 132 1.378 10.508 -42.501 1.00 0.55 -ATOM 1033 CA GLY A 132 0.119 9.889 -42.883 1.00 0.78 -ATOM 1034 C GLY A 132 -1.104 10.765 -42.567 1.00 0.80 -ATOM 1035 O GLY A 132 -2.067 10.820 -43.356 1.00 0.97 -ATOM 0 H GLY A 132 1.906 10.869 -43.270 1.00 0.55 H new -ATOM 0 1HA GLY A 132 0.137 9.670 -43.961 1.00 0.78 H new -ATOM 0 2HA GLY A 132 0.018 8.926 -42.361 1.00 0.78 H new -ATOM 1036 N ASP A 133 -1.081 11.431 -41.419 1.00 0.65 -ATOM 1037 CA ASP A 133 -2.153 12.330 -41.015 1.00 0.69 -ATOM 1038 C ASP A 133 -1.583 13.603 -40.422 1.00 0.45 -ATOM 1039 O ASP A 133 -1.685 14.678 -41.009 1.00 0.38 -ATOM 1040 CB ASP A 133 -3.097 11.665 -40.003 1.00 0.84 -ATOM 1041 CG ASP A 133 -4.193 12.600 -39.546 1.00 1.17 -ATOM 1042 OD1 ASP A 133 -3.991 13.357 -38.563 1.00 1.95 -ATOM 1043 OD2 ASP A 133 -5.279 12.605 -40.162 1.00 1.54 -ATOM 0 H ASP A 133 -0.335 11.364 -40.757 1.00 0.65 H new -ATOM 0 HA ASP A 133 -2.733 12.576 -41.917 1.00 0.69 H new -ATOM 0 1HB ASP A 133 -3.547 10.770 -40.457 1.00 0.84 H new -ATOM 0 2HB ASP A 133 -2.518 11.327 -39.131 1.00 0.84 H new -ATOM 1044 N GLY A 134 -0.993 13.481 -39.267 1.00 0.34 -ATOM 1045 CA GLY A 134 -0.398 14.618 -38.610 1.00 0.13 -ATOM 1046 C GLY A 134 -0.674 14.610 -37.138 1.00 0.13 -ATOM 1047 O GLY A 134 0.143 15.090 -36.339 1.00 0.10 -ATOM 0 H GLY A 134 -0.911 12.620 -38.766 1.00 0.34 H new -ATOM 0 1HA GLY A 134 0.689 14.614 -38.781 1.00 0.13 H new -ATOM 0 2HA GLY A 134 -0.790 15.546 -39.053 1.00 0.13 H new -ATOM 1048 N GLN A 135 -1.817 14.077 -36.754 1.00 0.15 -ATOM 1049 CA GLN A 135 -2.113 13.977 -35.357 1.00 0.16 -ATOM 1050 C GLN A 135 -1.552 12.716 -34.776 1.00 0.15 -ATOM 1051 O GLN A 135 -1.678 11.624 -35.334 1.00 0.21 -ATOM 1052 CB GLN A 135 -3.561 14.213 -35.004 1.00 0.17 -ATOM 1053 CG GLN A 135 -4.015 15.604 -35.384 1.00 0.23 -ATOM 1054 CD GLN A 135 -5.112 16.109 -34.490 1.00 0.34 -ATOM 1055 OE1 GLN A 135 -4.850 16.731 -33.465 1.00 1.00 -ATOM 1056 NE2 GLN A 135 -6.326 15.857 -34.856 1.00 0.75 -ATOM 0 H GLN A 135 -2.522 13.723 -37.369 1.00 0.15 H new -ATOM 0 HA GLN A 135 -1.596 14.819 -34.873 1.00 0.16 H new -ATOM 0 1HB GLN A 135 -4.189 13.470 -35.517 1.00 0.17 H new -ATOM 0 2HB GLN A 135 -3.704 14.064 -33.924 1.00 0.17 H new -ATOM 0 1HG GLN A 135 -3.159 16.293 -35.335 1.00 0.23 H new -ATOM 0 2HG GLN A 135 -4.367 15.601 -36.426 1.00 0.23 H new -ATOM 0 1HE2 GLN A 135 -7.093 16.172 -34.297 1.00 0.75 H new -ATOM 0 2HE2 GLN A 135 -6.499 15.347 -35.699 1.00 0.75 H new -ATOM 1057 N VAL A 136 -0.927 12.895 -33.670 1.00 0.09 -ATOM 1058 CA VAL A 136 -0.084 11.935 -33.042 1.00 0.09 -ATOM 1059 C VAL A 136 -0.429 11.909 -31.576 1.00 0.15 -ATOM 1060 O VAL A 136 -0.929 12.880 -31.020 1.00 0.17 -ATOM 1061 CB VAL A 136 1.356 12.485 -33.216 1.00 0.06 -ATOM 1062 CG1 VAL A 136 2.457 11.774 -32.530 1.00 0.07 -ATOM 1063 CG2 VAL A 136 1.739 12.754 -34.644 1.00 0.10 -ATOM 0 H VAL A 136 -0.991 13.750 -33.155 1.00 0.09 H new -ATOM 0 HA VAL A 136 -0.191 10.924 -33.462 1.00 0.09 H new -ATOM 0 HB VAL A 136 1.253 13.436 -32.673 1.00 0.06 H new -ATOM 0 1HG1 VAL A 136 3.411 12.278 -32.746 1.00 0.07 H new -ATOM 0 2HG1 VAL A 136 2.278 11.780 -31.445 1.00 0.07 H new -ATOM 0 3HG1 VAL A 136 2.502 10.735 -32.888 1.00 0.07 H new -ATOM 0 1HG2 VAL A 136 2.769 13.140 -34.682 1.00 0.10 H new -ATOM 0 2HG2 VAL A 136 1.676 11.821 -35.223 1.00 0.10 H new -ATOM 0 3HG2 VAL A 136 1.053 13.499 -35.074 1.00 0.10 H new -ATOM 1064 N ASN A 137 -0.205 10.840 -30.975 1.00 0.20 -ATOM 1065 CA ASN A 137 -0.413 10.712 -29.634 1.00 0.26 -ATOM 1066 C ASN A 137 0.915 10.777 -28.954 1.00 0.31 -ATOM 1067 O ASN A 137 1.953 10.531 -29.564 1.00 0.49 -ATOM 1068 CB ASN A 137 -1.103 9.426 -29.310 1.00 0.32 -ATOM 1069 CG ASN A 137 -0.177 8.217 -29.114 1.00 1.33 -ATOM 1070 OD1 ASN A 137 0.279 7.952 -27.998 1.00 1.43 -ATOM 1071 ND2 ASN A 137 0.097 7.487 -30.164 1.00 2.75 -ATOM 0 H ASN A 137 0.137 10.012 -31.420 1.00 0.20 H new -ATOM 0 HA ASN A 137 -1.066 11.525 -29.283 1.00 0.26 H new -ATOM 0 1HB ASN A 137 -1.694 9.567 -28.393 1.00 0.32 H new -ATOM 0 2HB ASN A 137 -1.813 9.196 -30.118 1.00 0.32 H new -ATOM 0 1HD2 ASN A 137 0.692 6.688 -30.076 1.00 2.75 H new -ATOM 0 2HD2 ASN A 137 -0.288 7.728 -31.055 1.00 2.75 H new -ATOM 1072 N TYR A 138 0.893 11.090 -27.727 1.00 0.33 -ATOM 1073 CA TYR A 138 2.105 11.273 -26.998 1.00 0.32 -ATOM 1074 C TYR A 138 2.476 10.164 -26.025 1.00 0.36 -ATOM 1075 O TYR A 138 3.565 10.182 -25.539 1.00 0.31 -ATOM 1076 CB TYR A 138 2.073 12.623 -26.298 1.00 0.34 -ATOM 1077 CG TYR A 138 0.735 12.972 -25.679 1.00 0.31 -ATOM 1078 CD1 TYR A 138 -0.222 13.634 -26.432 1.00 1.07 -ATOM 1079 CD2 TYR A 138 0.428 12.648 -24.367 1.00 0.95 -ATOM 1080 CE1 TYR A 138 -1.433 13.972 -25.910 1.00 1.15 -ATOM 1081 CE2 TYR A 138 -0.797 12.983 -23.826 1.00 0.86 -ATOM 1082 CZ TYR A 138 -1.727 13.656 -24.604 1.00 0.32 -ATOM 1083 OH TYR A 138 -2.953 14.003 -24.076 1.00 0.37 -ATOM 0 H TYR A 138 0.058 11.228 -27.194 1.00 0.33 H new -ATOM 0 HA TYR A 138 2.906 11.234 -27.750 1.00 0.32 H new -ATOM 0 1HB TYR A 138 2.842 12.633 -25.511 1.00 0.34 H new -ATOM 0 2HB TYR A 138 2.344 13.405 -27.023 1.00 0.34 H new -ATOM 0 HD1 TYR A 138 0.003 13.893 -27.477 1.00 1.07 H new -ATOM 0 HD2 TYR A 138 1.169 12.118 -23.750 1.00 0.95 H new -ATOM 0 HE1 TYR A 138 -2.174 14.496 -26.531 1.00 1.15 H new -ATOM 0 HE2 TYR A 138 -1.034 12.718 -22.785 1.00 0.86 H new -ATOM 0 HH TYR A 138 -3.543 14.353 -24.804 1.00 0.37 H new -ATOM 1084 N GLU A 139 1.618 9.170 -25.803 1.00 0.46 -ATOM 1085 CA GLU A 139 1.868 8.196 -24.698 1.00 0.49 -ATOM 1086 C GLU A 139 3.199 7.461 -24.837 1.00 0.47 -ATOM 1087 O GLU A 139 3.995 7.402 -23.883 1.00 0.50 -ATOM 1088 CB GLU A 139 0.687 7.206 -24.437 1.00 0.55 -ATOM 1089 CG GLU A 139 0.652 5.900 -25.266 1.00 1.42 -ATOM 1090 CD GLU A 139 -0.482 4.996 -24.872 1.00 1.52 -ATOM 1091 OE1 GLU A 139 -1.565 5.076 -25.493 1.00 1.23 -ATOM 1092 OE2 GLU A 139 -0.307 4.163 -23.961 1.00 2.41 -ATOM 0 H GLU A 139 0.785 9.008 -26.331 1.00 0.46 H new -ATOM 0 HA GLU A 139 1.937 8.824 -23.798 1.00 0.49 H new -ATOM 0 1HB GLU A 139 0.704 6.931 -23.372 1.00 0.55 H new -ATOM 0 2HB GLU A 139 -0.254 7.746 -24.615 1.00 0.55 H new -ATOM 0 1HG GLU A 139 0.563 6.150 -26.334 1.00 1.42 H new -ATOM 0 2HG GLU A 139 1.604 5.364 -25.139 1.00 1.42 H new -ATOM 1093 N GLU A 140 3.459 6.946 -26.007 1.00 0.42 -ATOM 1094 CA GLU A 140 4.692 6.235 -26.225 1.00 0.39 -ATOM 1095 C GLU A 140 5.858 7.222 -26.265 1.00 0.34 -ATOM 1096 O GLU A 140 6.881 6.993 -25.644 1.00 0.37 -ATOM 1097 CB GLU A 140 4.613 5.361 -27.475 1.00 0.37 -ATOM 1098 CG GLU A 140 5.775 4.395 -27.623 1.00 1.44 -ATOM 1099 CD GLU A 140 5.566 3.395 -28.734 1.00 1.81 -ATOM 1100 OE1 GLU A 140 5.952 3.660 -29.884 1.00 2.69 -ATOM 1101 OE2 GLU A 140 5.010 2.308 -28.460 1.00 1.93 -ATOM 0 H GLU A 140 2.854 7.002 -26.802 1.00 0.42 H new -ATOM 0 HA GLU A 140 4.868 5.547 -25.385 1.00 0.39 H new -ATOM 0 1HB GLU A 140 3.674 4.789 -27.452 1.00 0.37 H new -ATOM 0 2HB GLU A 140 4.573 6.010 -28.362 1.00 0.37 H new -ATOM 0 1HG GLU A 140 6.696 4.964 -27.816 1.00 1.44 H new -ATOM 0 2HG GLU A 140 5.922 3.857 -26.675 1.00 1.44 H new -ATOM 1102 N PHE A 141 5.650 8.369 -26.921 1.00 0.27 -ATOM 1103 CA PHE A 141 6.671 9.420 -26.997 1.00 0.23 -ATOM 1104 C PHE A 141 7.055 9.999 -25.648 1.00 0.30 -ATOM 1105 O PHE A 141 8.171 10.504 -25.482 1.00 0.36 -ATOM 1106 CB PHE A 141 6.249 10.567 -27.891 1.00 0.19 -ATOM 1107 CG PHE A 141 6.916 10.549 -29.220 1.00 0.14 -ATOM 1108 CD1 PHE A 141 8.302 10.569 -29.303 1.00 0.20 -ATOM 1109 CD2 PHE A 141 6.184 10.542 -30.381 1.00 0.13 -ATOM 1110 CE1 PHE A 141 8.931 10.585 -30.520 1.00 0.16 -ATOM 1111 CE2 PHE A 141 6.828 10.558 -31.606 1.00 0.15 -ATOM 1112 CZ PHE A 141 8.191 10.582 -31.657 1.00 0.11 -ATOM 0 H PHE A 141 4.799 8.589 -27.398 1.00 0.27 H new -ATOM 0 HA PHE A 141 7.546 8.907 -27.422 1.00 0.23 H new -ATOM 0 1HB PHE A 141 5.159 10.530 -28.034 1.00 0.19 H new -ATOM 0 2HB PHE A 141 6.475 11.518 -27.387 1.00 0.19 H new -ATOM 0 HD1 PHE A 141 8.902 10.572 -28.381 1.00 0.20 H new -ATOM 0 HD2 PHE A 141 5.085 10.524 -30.338 1.00 0.13 H new -ATOM 0 HE1 PHE A 141 10.030 10.600 -30.575 1.00 0.16 H new -ATOM 0 HE2 PHE A 141 6.242 10.551 -32.537 1.00 0.15 H new -ATOM 0 HZ PHE A 141 8.697 10.599 -32.634 1.00 0.11 H new -ATOM 1113 N VAL A 142 6.166 9.897 -24.684 1.00 0.31 -ATOM 1114 CA VAL A 142 6.355 10.460 -23.423 1.00 0.38 -ATOM 1115 C VAL A 142 7.460 9.661 -22.718 1.00 0.44 -ATOM 1116 O VAL A 142 8.498 10.207 -22.341 1.00 0.51 -ATOM 1117 CB VAL A 142 4.993 10.433 -22.610 1.00 0.42 -ATOM 1118 CG1 VAL A 142 5.303 10.653 -21.258 1.00 0.51 -ATOM 1119 CG2 VAL A 142 4.031 11.556 -22.941 1.00 0.34 -ATOM 0 H VAL A 142 5.297 9.412 -24.785 1.00 0.31 H new -ATOM 0 HA VAL A 142 6.662 11.514 -23.498 1.00 0.38 H new -ATOM 0 HB VAL A 142 4.524 9.468 -22.854 1.00 0.42 H new -ATOM 0 1HG1 VAL A 142 4.378 10.641 -20.663 1.00 0.51 H new -ATOM 0 2HG1 VAL A 142 5.978 9.861 -20.902 1.00 0.51 H new -ATOM 0 3HG1 VAL A 142 5.796 11.630 -21.149 1.00 0.51 H new -ATOM 0 1HG2 VAL A 142 3.122 11.453 -22.331 1.00 0.34 H new -ATOM 0 2HG2 VAL A 142 4.508 12.524 -22.726 1.00 0.34 H new -ATOM 0 3HG2 VAL A 142 3.764 11.508 -24.007 1.00 0.34 H new -ATOM 1120 N GLN A 143 7.249 8.371 -22.611 1.00 0.44 -ATOM 1121 CA GLN A 143 8.220 7.496 -21.988 1.00 0.49 -ATOM 1122 C GLN A 143 9.394 7.185 -22.916 1.00 0.50 -ATOM 1123 O GLN A 143 10.357 6.569 -22.507 1.00 0.54 -ATOM 1124 CB GLN A 143 7.552 6.236 -21.461 1.00 0.51 -ATOM 1125 CG GLN A 143 6.482 6.559 -20.437 1.00 0.64 -ATOM 1126 CD GLN A 143 7.017 7.342 -19.239 1.00 2.46 -ATOM 1127 OE1 GLN A 143 7.080 8.572 -19.256 1.00 3.66 -ATOM 1128 NE2 GLN A 143 7.356 6.652 -18.187 1.00 3.37 -ATOM 0 H GLN A 143 6.426 7.909 -22.942 1.00 0.44 H new -ATOM 0 HA GLN A 143 8.647 8.030 -21.126 1.00 0.49 H new -ATOM 0 1HB GLN A 143 7.104 5.679 -22.298 1.00 0.51 H new -ATOM 0 2HB GLN A 143 8.310 5.580 -21.007 1.00 0.51 H new -ATOM 0 1HG GLN A 143 5.683 7.141 -20.921 1.00 0.64 H new -ATOM 0 2HG GLN A 143 6.028 5.622 -20.082 1.00 0.64 H new -ATOM 0 1HE2 GLN A 143 7.678 7.120 -17.364 1.00 3.37 H new -ATOM 0 2HE2 GLN A 143 7.294 5.654 -18.202 1.00 3.37 H new -ATOM 1129 N MET A 144 9.288 7.596 -24.180 1.00 0.46 -ATOM 1130 CA MET A 144 10.421 7.502 -25.114 1.00 0.47 -ATOM 1131 C MET A 144 11.501 8.462 -24.719 1.00 0.50 -ATOM 1132 O MET A 144 12.688 8.130 -24.781 1.00 0.57 -ATOM 1133 CB MET A 144 10.061 7.808 -26.576 1.00 0.42 -ATOM 1134 CG MET A 144 9.439 6.692 -27.385 1.00 0.43 -ATOM 1135 SD MET A 144 9.226 7.209 -29.105 1.00 0.68 -ATOM 1136 CE MET A 144 8.586 5.729 -29.856 1.00 0.32 -ATOM 0 H MET A 144 8.456 7.986 -24.574 1.00 0.46 H new -ATOM 0 HA MET A 144 10.750 6.454 -25.052 1.00 0.47 H new -ATOM 0 1HB MET A 144 9.368 8.662 -26.584 1.00 0.42 H new -ATOM 0 2HB MET A 144 10.977 8.132 -27.091 1.00 0.42 H new -ATOM 0 1HG MET A 144 10.077 5.797 -27.340 1.00 0.43 H new -ATOM 0 2HG MET A 144 8.465 6.415 -26.954 1.00 0.43 H new -ATOM 0 1HE MET A 144 8.956 5.652 -30.889 1.00 0.32 H new -ATOM 0 2HE MET A 144 8.919 4.852 -29.281 1.00 0.32 H new -ATOM 0 3HE MET A 144 7.487 5.766 -29.863 1.00 0.32 H new -ATOM 1137 N MET A 145 11.104 9.667 -24.292 1.00 0.45 -ATOM 1138 CA MET A 145 12.094 10.683 -23.954 1.00 0.48 -ATOM 1139 C MET A 145 12.941 10.251 -22.780 1.00 0.58 -ATOM 1140 O MET A 145 14.120 10.582 -22.694 1.00 0.63 -ATOM 1141 CB MET A 145 11.480 12.083 -23.701 1.00 0.46 -ATOM 1142 CG MET A 145 10.749 12.665 -24.894 1.00 0.37 -ATOM 1143 SD MET A 145 10.895 14.470 -24.988 1.00 0.41 -ATOM 1144 CE MET A 145 9.959 14.993 -23.562 1.00 0.29 -ATOM 0 H MET A 145 10.151 9.947 -24.179 1.00 0.45 H new -ATOM 0 HA MET A 145 12.738 10.782 -24.841 1.00 0.48 H new -ATOM 0 1HB MET A 145 10.782 12.017 -22.854 1.00 0.46 H new -ATOM 0 2HB MET A 145 12.282 12.774 -23.404 1.00 0.46 H new -ATOM 0 1HG MET A 145 11.149 12.220 -25.817 1.00 0.37 H new -ATOM 0 2HG MET A 145 9.686 12.389 -24.838 1.00 0.37 H new -ATOM 0 1HE MET A 145 9.846 16.087 -23.578 1.00 0.29 H new -ATOM 0 2HE MET A 145 8.965 14.522 -23.582 1.00 0.29 H new -ATOM 0 3HE MET A 145 10.488 14.693 -22.645 1.00 0.29 H new -ATOM 1145 N THR A 146 12.351 9.476 -21.919 1.00 0.61 -ATOM 1146 CA THR A 146 12.948 9.002 -20.750 1.00 0.72 -ATOM 1147 C THR A 146 13.457 7.572 -20.858 1.00 1.05 -ATOM 1148 O THR A 146 13.819 6.946 -19.860 1.00 1.44 -ATOM 1149 CB THR A 146 11.884 9.118 -19.730 1.00 0.57 -ATOM 1150 OG1 THR A 146 10.601 8.879 -20.381 1.00 0.56 -ATOM 1151 CG2 THR A 146 11.938 10.484 -19.184 1.00 0.43 -ATOM 0 H THR A 146 11.410 9.159 -22.036 1.00 0.61 H new -ATOM 0 HA THR A 146 13.851 9.581 -20.507 1.00 0.72 H new -ATOM 0 HB THR A 146 12.015 8.389 -18.917 1.00 0.57 H new -ATOM 0 HG1 THR A 146 9.866 9.259 -19.819 1.00 0.56 H new -ATOM 0 1HG2 THR A 146 11.157 10.605 -18.419 1.00 0.43 H new -ATOM 0 2HG2 THR A 146 12.925 10.659 -18.730 1.00 0.43 H new -ATOM 0 3HG2 THR A 146 11.773 11.210 -19.994 1.00 0.43 H new -ATOM 1152 N ALA A 147 13.552 7.094 -22.047 1.00 0.90 -ATOM 1153 CA ALA A 147 13.990 5.754 -22.273 1.00 1.19 -ATOM 1154 C ALA A 147 15.151 5.721 -23.201 1.00 0.63 -ATOM 1155 O ALA A 147 15.008 5.686 -24.423 1.00 0.46 -ATOM 1156 CB ALA A 147 12.921 4.865 -22.783 1.00 1.76 -ATOM 0 H ALA A 147 13.334 7.607 -22.877 1.00 0.90 H new -ATOM 0 HA ALA A 147 14.291 5.370 -21.287 1.00 1.19 H new -ATOM 0 1HB ALA A 147 13.326 3.853 -22.934 1.00 1.76 H new -ATOM 0 2HB ALA A 147 12.098 4.825 -22.054 1.00 1.76 H new -ATOM 0 3HB ALA A 147 12.544 5.255 -23.740 1.00 1.76 H new -ATOM 1157 N LYS A 148 16.267 5.789 -22.620 1.00 0.69 -ATOM 1158 CA LYS A 148 17.540 5.756 -23.290 1.00 0.59 -ATOM 1159 C LYS A 148 18.461 4.854 -22.515 1.00 0.88 -ATOM 1160 O LYS A 148 18.870 5.227 -21.405 1.00 1.36 -ATOM 1161 CB LYS A 148 18.151 7.164 -23.436 1.00 1.16 -ATOM 1162 CG LYS A 148 17.361 8.107 -24.335 1.00 1.62 -ATOM 1163 CD LYS A 148 17.206 7.533 -25.737 1.00 1.37 -ATOM 1164 CE LYS A 148 16.484 8.485 -26.664 1.00 2.31 -ATOM 1165 NZ LYS A 148 17.271 9.703 -26.898 1.00 2.87 -ATOM 0 H LYS A 148 16.350 5.873 -21.627 1.00 0.69 H new -ATOM 0 HA LYS A 148 17.397 5.369 -24.310 1.00 0.59 H new -ATOM 0 1HB LYS A 148 18.238 7.617 -22.437 1.00 1.16 H new -ATOM 0 2HB LYS A 148 19.171 7.067 -23.835 1.00 1.16 H new -ATOM 0 1HG LYS A 148 16.368 8.288 -23.898 1.00 1.62 H new -ATOM 0 2HG LYS A 148 17.871 9.080 -24.389 1.00 1.62 H new -ATOM 0 1HD LYS A 148 18.199 7.304 -26.150 1.00 1.37 H new -ATOM 0 2HD LYS A 148 16.653 6.584 -25.684 1.00 1.37 H new -ATOM 0 1HE LYS A 148 16.284 7.985 -27.623 1.00 2.31 H new -ATOM 0 2HE LYS A 148 15.509 8.753 -26.231 1.00 2.31 H new -ATOM 0 1HZ LYS A 148 16.833 10.251 -27.611 1.00 2.87 H + new -ATOM 0 2HZ LYS A 148 17.322 10.235 -26.053 1.00 2.87 H + new -ATOM 0 3HZ LYS A 148 18.194 9.453 -27.190 1.00 2.87 H + new -SPDBVT 1.0000000000 0.0000000000 0.0000000000 -SPDBVT 0.0000000000 1.0000000000 0.0000000000 -SPDBVT 0.0000000000 0.0000000000 1.0000000000 -SPDBVT 0.0000000000 0.0000000000 0.0000000000 -SPDBVT 0.0000000000 0.0000000000 0.0000000000 -SPDBVV default; -SPDBVV 6.182536106574 1043.515854809659 20.000000000000 -SPDBVV 1.0000000000 0.0000000000 0.0000000000 -SPDBVV 0.0000000000 1.0000000000 0.0000000000 -SPDBVV 0.0000000000 0.0000000000 1.0000000000 -SPDBVV 8.4119997025 3.8239998817 -18.0410003662 -SPDBVV 0.0000000000 0.0000000000 0.0000000000 -SPDBVf 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 -SPDBVf 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 -SPDBVf 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 -SPDBVf 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 -SPDBVf 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 -SPDBVf 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 -SPDBVf 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 -SPDBVf 3 3 3 3 3 3 3 3 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVl 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -SPDBVb 0.00 0.00 0.20 -SPDBVg 64 64 64 64 64 64 64 64 64 64 -SPDBVg 64 64 64 64 64 64 64 64 64 64 -SPDBVg 64 64 64 64 64 64 64 64 64 64 -SPDBVg 64 64 64 64 64 64 64 64 64 64 -SPDBVg 64 64 64 64 64 64 64 64 64 64 -SPDBVg 64 64 64 64 64 64 64 64 64 64 -SPDBVg 64 64 64 64 64 64 64 64 64 64 -SPDBVg 64 64 64 64 64 64 64 64 64 64 -SPDBVg 64 64 64 64 64 64 64 64 64 64 -SPDBVg 64 64 64 64 64 64 64 64 64 64 -SPDBVg 64 64 64 64 64 64 64 64 64 64 -SPDBVg 64 64 64 64 64 64 64 64 64 64 -SPDBVg 64 64 64 64 64 64 64 64 64 64 -SPDBVg 64 64 64 64 64 64 64 64 64 64 -SPDBVg 64 64 64 64 64 64 64 64 -SPDBVi 1 1 1 0 1 0 1 1 0 1 0 1 1 0 0 -SPDBVp 0 -END diff --git a/src/distrib/sample/1crn.pdb b/src/distrib/sample/1crn.pdb deleted file mode 100644 index c5ad6ada5..000000000 --- a/src/distrib/sample/1crn.pdb +++ /dev/null @@ -1,426 +0,0 @@ -HEADER PLANT SEED PROTEIN 30-APR-81 1CRN 1CRND 1 -COMPND CRAMBIN 1CRN 4 -SOURCE ABYSSINIAN CABBAGE (CRAMBE ABYSSINICA) SEED 1CRN 5 -AUTHOR W.A.HENDRICKSON,M.M.TEETER 1CRN 6 -REVDAT 5 16-APR-87 1CRND 1 HEADER 1CRND 2 -REVDAT 4 04-MAR-85 1CRNC 1 REMARK 1CRNC 1 -REVDAT 3 30-SEP-83 1CRNB 1 REVDAT 1CRNB 1 -REVDAT 2 03-DEC-81 1CRNA 1 SHEET 1CRNB 2 -REVDAT 1 28-JUL-81 1CRN 0 1CRNB 3 -REMARK 1 1CRN 7 -REMARK 1 REFERENCE 1 1CRNC 2 -REMARK 1 AUTH M.M.TEETER 1CRNC 3 -REMARK 1 TITL WATER STRUCTURE OF A HYDROPHOBIC PROTEIN AT ATOMIC 1CRNC 4 -REMARK 1 TITL 2 RESOLUTION. PENTAGON RINGS OF WATER MOLECULES IN 1CRNC 5 -REMARK 1 TITL 3 CRYSTALS OF CRAMBIN 1CRNC 6 -REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 81 6014 1984 1CRNC 7 -REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 040 1CRNC 8 -REMARK 1 REFERENCE 2 1CRNC 9 -REMARK 1 AUTH W.A.HENDRICKSON,M.M.TEETER 1CRN 9 -REMARK 1 TITL STRUCTURE OF THE HYDROPHOBIC PROTEIN CRAMBIN 1CRN 10 -REMARK 1 TITL 2 DETERMINED DIRECTLY FROM THE ANOMALOUS SCATTERING 1CRN 11 -REMARK 1 TITL 3 OF SULPHUR 1CRN 12 -REMARK 1 REF NATURE V. 290 107 1981 1CRN 13 -REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 006 1CRN 14 -REMARK 1 REFERENCE 3 1CRNC 10 -REMARK 1 AUTH M.M.TEETER,W.A.HENDRICKSON 1CRN 16 -REMARK 1 TITL HIGHLY ORDERED CRYSTALS OF THE PLANT SEED PROTEIN 1CRN 17 -REMARK 1 TITL 2 CRAMBIN 1CRN 18 -REMARK 1 REF J.MOL.BIOL. V. 127 219 1979 1CRN 19 -REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 1CRN 20 -REMARK 2 1CRN 21 -REMARK 2 RESOLUTION. 1.5 ANGSTROMS. 1CRN 22 -REMARK 3 1CRN 23 -REMARK 3 REFINEMENT. RESTRAINED LEAST SQUARES (HENDRICKSON,W.A., 1CRN 24 -REMARK 3 KONNERT,J.H. COMPUTING IN CRYSTALLOGRAPHY, EDS.DIAMOND,R., 1CRN 25 -REMARK 3 RAMASESHAN,S.,VENKATESAN,K. (1980)). 1CRN 26 -REMARK 4 1CRN 27 -REMARK 4 CONFORMATIONAL HETEROGENEITY EXISTS AT ILE 7 AND ILE 25 1CRN 28 -REMARK 4 WHERE CD1 ATOMS TAKE EITHER OF TWO STAGGERED POSSIBILITIES. 1CRN 29 -REMARK 4 COMPOSITIONAL HETEROGENEITY ALSO EXISTS AT POSITIONS 22 AND 1CRN 30 -REMARK 4 25. REFINEMENT PARAMETERS SUGGEST THAT RESIDUE 22 IS ABOUT 1CRN 31 -REMARK 4 60/40 PRO/SER AND THAT RESIDUE 25 IS ABOUT 60/40 ILE/LEU. 1CRN 32 -REMARK 4 THE HETEROGENEITY AT RESIDUE 22 APPARENTLY CAUSES A 1CRN 33 -REMARK 4 DISORDER IN TYR 29 - THE REFINED POSITION OF ITS OH ATOM 1CRN 34 -REMARK 4 MAKES AN IMPOSSIBLY SHORT CONTACT OF 2.6 ANGSTROMS WITH 1CRN 35 -REMARK 4 ATOM CD OF PRO 22 ON A SCREW-RELATED MOLECULE. THE 1CRN 36 -REMARK 4 DEPOSITED COORDINATES ARE ONLY FOR THE MAJOR CONTRIBUTOR AT 1CRN 37 -REMARK 4 EACH SITE (PRO 22 AND ILE 25). DEPOSITION OF THE MODEL OF 1CRN 38 -REMARK 4 DISORDER AND SOLVENT STRUCTURE IS DEFERRED UNTIL HIGHER 1CRN 39 -REMARK 4 RESOLUTION REFINEMENT. THE R-FACTOR FOR THE COMPLETE MODEL 1CRN 40 -REMARK 4 INCLUDING HETEROGENEITY AND SOLVENT IS 0.114 ISOTROPIC AND 1CRN 41 -REMARK 4 0.104 ANISOTROPIC AGAINST ALL DATA IN THE 10.0 TO 1.5 1CRN 42 -REMARK 4 ANGSTROM SHELL. 1CRN 43 -REMARK 5 1CRN 44 -REMARK 5 THE SECONDARY STRUCTURE SPECIFICATIONS ARE THOSE DEFINED 1CRN 45 -REMARK 5 IN REFERENCE 1 ABOVE AND DEPEND ON PARTICULAR DEFINITIONS 1CRN 46 -REMARK 5 THAT MAY AFFECT THE DETERMINATION OF END POINTS. PLEASE 1CRN 47 -REMARK 5 CONSULT THE PRIMARY REFERENCE AND EXAMINE STRUCTURAL 1CRN 48 -REMARK 5 DETAILS SUCH AS HYDROGEN BONDING AND CONFORMATION ANGLES 1CRN 49 -REMARK 5 WHEN MAKING USE OF THE SPECIFICATIONS. 1CRN 50 -REMARK 6 1CRNA 1 -REMARK 6 CORRECTION. CORRECT RESIDUE NUMBER ON STRAND 1 OF SHEET S1. 1CRNA 2 -REMARK 6 03-DEC-81. 1CRNA 3 -REMARK 7 1CRNB 4 -REMARK 7 CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83. 1CRNB 5 -REMARK 8 1CRNC 11 -REMARK 8 CORRECTION. INSERT NEW PUBLICATION AS REFERENCE 1 AND 1CRNC 12 -REMARK 8 RENUMBER THE OTHERS. 04-MAR-85. 1CRNC 13 -REMARK 9 1CRND 3 -REMARK 9 CORRECTION. CHANGE DEPOSITION DATE FROM 31-APR-81 TO 1CRND 4 -REMARK 9 30-APR-81. 16-APR-87. 1CRND 5 -SEQRES 1 46 THR THR CYS CYS PRO SER ILE VAL ALA ARG SER ASN PHE 1CRN 51 -SEQRES 2 46 ASN VAL CYS ARG LEU PRO GLY THR PRO GLU ALA ILE CYS 1CRN 52 -SEQRES 3 46 ALA THR TYR THR GLY CYS ILE ILE ILE PRO GLY ALA THR 1CRN 53 -SEQRES 4 46 CYS PRO GLY ASP TYR ALA ASN 1CRN 54 -HELIX 1 H1 ILE 7 PRO 19 1 3/10 CONFORMATION RES 17,19 1CRN 55 -HELIX 2 H2 GLU 23 THR 30 1 DISTORTED 3/10 AT RES 30 1CRN 56 -SHEET 1 S1 2 THR 1 CYS 4 0 1CRNA 4 -SHEET 2 S1 2 CYS 32 ILE 35 -1 1CRN 58 -TURN 1 T1 PRO 41 TYR 44 1CRN 59 -SSBOND 1 CYS 3 CYS 40 1CRN 60 -SSBOND 2 CYS 4 CYS 32 1CRN 61 -SSBOND 3 CYS 16 CYS 26 1CRN 62 -CRYST1 40.960 18.650 22.520 90.00 90.77 90.00 P 21 2 1CRN 63 -ORIGX1 1.000000 0.000000 0.000000 0.00000 1CRN 64 -ORIGX2 0.000000 1.000000 0.000000 0.00000 1CRN 65 -ORIGX3 0.000000 0.000000 1.000000 0.00000 1CRN 66 -SCALE1 .024414 0.000000 -.000328 0.00000 1CRN 67 -SCALE2 0.000000 .053619 0.000000 0.00000 1CRN 68 -SCALE3 0.000000 0.000000 .044409 0.00000 1CRN 69 -ATOM 1 N THR 1 17.047 14.099 3.625 1.00 13.79 1CRN 70 -ATOM 2 CA THR 1 16.967 12.784 4.338 1.00 10.80 1CRN 71 -ATOM 3 C THR 1 15.685 12.755 5.133 1.00 9.19 1CRN 72 -ATOM 4 O THR 1 15.268 13.825 5.594 1.00 9.85 1CRN 73 -ATOM 5 CB THR 1 18.170 12.703 5.337 1.00 13.02 1CRN 74 -ATOM 6 OG1 THR 1 19.334 12.829 4.463 1.00 15.06 1CRN 75 -ATOM 7 CG2 THR 1 18.150 11.546 6.304 1.00 14.23 1CRN 76 -ATOM 8 N THR 2 15.115 11.555 5.265 1.00 7.81 1CRN 77 -ATOM 9 CA THR 2 13.856 11.469 6.066 1.00 8.31 1CRN 78 -ATOM 10 C THR 2 14.164 10.785 7.379 1.00 5.80 1CRN 79 -ATOM 11 O THR 2 14.993 9.862 7.443 1.00 6.94 1CRN 80 -ATOM 12 CB THR 2 12.732 10.711 5.261 1.00 10.32 1CRN 81 -ATOM 13 OG1 THR 2 13.308 9.439 4.926 1.00 12.81 1CRN 82 -ATOM 14 CG2 THR 2 12.484 11.442 3.895 1.00 11.90 1CRN 83 -ATOM 15 N CYS 3 13.488 11.241 8.417 1.00 5.24 1CRN 84 -ATOM 16 CA CYS 3 13.660 10.707 9.787 1.00 5.39 1CRN 85 -ATOM 17 C CYS 3 12.269 10.431 10.323 1.00 4.45 1CRN 86 -ATOM 18 O CYS 3 11.393 11.308 10.185 1.00 6.54 1CRN 87 -ATOM 19 CB CYS 3 14.368 11.748 10.691 1.00 5.99 1CRN 88 -ATOM 20 SG CYS 3 15.885 12.426 10.016 1.00 7.01 1CRN 89 -ATOM 21 N CYS 4 12.019 9.272 10.928 1.00 3.90 1CRN 90 -ATOM 22 CA CYS 4 10.646 8.991 11.408 1.00 4.24 1CRN 91 -ATOM 23 C CYS 4 10.654 8.793 12.919 1.00 3.72 1CRN 92 -ATOM 24 O CYS 4 11.659 8.296 13.491 1.00 5.30 1CRN 93 -ATOM 25 CB CYS 4 10.057 7.752 10.682 1.00 4.41 1CRN 94 -ATOM 26 SG CYS 4 9.837 8.018 8.904 1.00 4.72 1CRN 95 -ATOM 27 N PRO 5 9.561 9.108 13.563 1.00 3.96 1CRN 96 -ATOM 28 CA PRO 5 9.448 9.034 15.012 1.00 4.25 1CRN 97 -ATOM 29 C PRO 5 9.288 7.670 15.606 1.00 4.96 1CRN 98 -ATOM 30 O PRO 5 9.490 7.519 16.819 1.00 7.44 1CRN 99 -ATOM 31 CB PRO 5 8.230 9.957 15.345 1.00 5.11 1CRN 100 -ATOM 32 CG PRO 5 7.338 9.786 14.114 1.00 5.24 1CRN 101 -ATOM 33 CD PRO 5 8.366 9.804 12.958 1.00 5.20 1CRN 102 -ATOM 34 N SER 6 8.875 6.686 14.796 1.00 4.83 1CRN 103 -ATOM 35 CA SER 6 8.673 5.314 15.279 1.00 4.45 1CRN 104 -ATOM 36 C SER 6 8.753 4.376 14.083 1.00 4.99 1CRN 105 -ATOM 37 O SER 6 8.726 4.858 12.923 1.00 4.61 1CRN 106 -ATOM 38 CB SER 6 7.340 5.121 15.996 1.00 5.05 1CRN 107 -ATOM 39 OG SER 6 6.274 5.220 15.031 1.00 6.39 1CRN 108 -ATOM 40 N ILE 7 8.881 3.075 14.358 1.00 4.94 1CRN 109 -ATOM 41 CA ILE 7 8.912 2.083 13.258 1.00 6.33 1CRN 110 -ATOM 42 C ILE 7 7.581 2.090 12.506 1.00 5.32 1CRN 111 -ATOM 43 O ILE 7 7.670 2.031 11.245 1.00 6.85 1CRN 112 -ATOM 44 CB ILE 7 9.207 .677 13.924 1.00 8.43 1CRN 113 -ATOM 45 CG1 ILE 7 10.714 .702 14.312 1.00 9.78 1CRN 114 -ATOM 46 CG2 ILE 7 8.811 -.477 12.969 1.00 11.70 1CRN 115 -ATOM 47 CD1 ILE 7 11.185 -.516 15.142 1.00 9.92 1CRN 116 -ATOM 48 N VAL 8 6.458 2.162 13.159 1.00 5.02 1CRN 117 -ATOM 49 CA VAL 8 5.145 2.209 12.453 1.00 6.93 1CRN 118 -ATOM 50 C VAL 8 5.115 3.379 11.461 1.00 5.39 1CRN 119 -ATOM 51 O VAL 8 4.664 3.268 10.343 1.00 6.30 1CRN 120 -ATOM 52 CB VAL 8 3.995 2.354 13.478 1.00 9.64 1CRN 121 -ATOM 53 CG1 VAL 8 2.716 2.891 12.869 1.00 13.85 1CRN 122 -ATOM 54 CG2 VAL 8 3.758 1.032 14.208 1.00 11.97 1CRN 123 -ATOM 55 N ALA 9 5.606 4.546 11.941 1.00 3.73 1CRN 124 -ATOM 56 CA ALA 9 5.598 5.767 11.082 1.00 3.56 1CRN 125 -ATOM 57 C ALA 9 6.441 5.527 9.850 1.00 4.13 1CRN 126 -ATOM 58 O ALA 9 6.052 5.933 8.744 1.00 4.36 1CRN 127 -ATOM 59 CB ALA 9 6.022 6.977 11.891 1.00 4.80 1CRN 128 -ATOM 60 N ARG 10 7.647 4.909 10.005 1.00 3.73 1CRN 129 -ATOM 61 CA ARG 10 8.496 4.609 8.837 1.00 3.38 1CRN 130 -ATOM 62 C ARG 10 7.798 3.609 7.876 1.00 3.47 1CRN 131 -ATOM 63 O ARG 10 7.878 3.778 6.651 1.00 4.67 1CRN 132 -ATOM 64 CB ARG 10 9.847 4.020 9.305 1.00 3.95 1CRN 133 -ATOM 65 CG ARG 10 10.752 3.607 8.149 1.00 4.55 1CRN 134 -ATOM 66 CD ARG 10 11.226 4.699 7.244 1.00 5.89 1CRN 135 -ATOM 67 NE ARG 10 12.143 5.571 8.035 1.00 6.20 1CRN 136 -ATOM 68 CZ ARG 10 12.758 6.609 7.443 1.00 7.52 1CRN 137 -ATOM 69 NH1 ARG 10 12.539 6.932 6.158 1.00 10.68 1CRN 138 -ATOM 70 NH2 ARG 10 13.601 7.322 8.202 1.00 9.48 1CRN 139 -ATOM 71 N SER 11 7.186 2.582 8.445 1.00 5.19 1CRN 140 -ATOM 72 CA SER 11 6.500 1.584 7.565 1.00 4.60 1CRN 141 -ATOM 73 C SER 11 5.382 2.313 6.773 1.00 4.84 1CRN 142 -ATOM 74 O SER 11 5.213 2.016 5.557 1.00 5.84 1CRN 143 -ATOM 75 CB SER 11 5.908 .462 8.400 1.00 5.91 1CRN 144 -ATOM 76 OG SER 11 6.990 -.272 9.012 1.00 8.38 1CRN 145 -ATOM 77 N ASN 12 4.648 3.182 7.446 1.00 3.54 1CRN 146 -ATOM 78 CA ASN 12 3.545 3.935 6.751 1.00 4.57 1CRN 147 -ATOM 79 C ASN 12 4.107 4.851 5.691 1.00 4.14 1CRN 148 -ATOM 80 O ASN 12 3.536 5.001 4.617 1.00 5.52 1CRN 149 -ATOM 81 CB ASN 12 2.663 4.677 7.748 1.00 6.42 1CRN 150 -ATOM 82 CG ASN 12 1.802 3.735 8.610 1.00 8.25 1CRN 151 -ATOM 83 OD1 ASN 12 1.567 2.613 8.165 1.00 12.72 1CRN 152 -ATOM 84 ND2 ASN 12 1.394 4.252 9.767 1.00 9.92 1CRN 153 -ATOM 85 N PHE 13 5.259 5.498 6.005 1.00 3.43 1CRN 154 -ATOM 86 CA PHE 13 5.929 6.358 5.055 1.00 3.49 1CRN 155 -ATOM 87 C PHE 13 6.304 5.578 3.799 1.00 3.40 1CRN 156 -ATOM 88 O PHE 13 6.136 6.072 2.653 1.00 4.07 1CRN 157 -ATOM 89 CB PHE 13 7.183 6.994 5.754 1.00 5.48 1CRN 158 -ATOM 90 CG PHE 13 7.884 8.006 4.883 1.00 5.57 1CRN 159 -ATOM 91 CD1 PHE 13 8.906 7.586 4.027 1.00 6.99 1CRN 160 -ATOM 92 CD2 PHE 13 7.532 9.373 4.983 1.00 6.52 1CRN 161 -ATOM 93 CE1 PHE 13 9.560 8.539 3.194 1.00 8.20 1CRN 162 -ATOM 94 CE2 PHE 13 8.176 10.281 4.145 1.00 6.34 1CRN 163 -ATOM 95 CZ PHE 13 9.141 9.845 3.292 1.00 6.84 1CRN 164 -ATOM 96 N ASN 14 6.900 4.390 3.989 1.00 3.64 1CRN 165 -ATOM 97 CA ASN 14 7.331 3.607 2.791 1.00 4.31 1CRN 166 -ATOM 98 C ASN 14 6.116 3.210 1.915 1.00 3.98 1CRN 167 -ATOM 99 O ASN 14 6.240 3.144 .684 1.00 6.22 1CRN 168 -ATOM 100 CB ASN 14 8.145 2.404 3.240 1.00 5.81 1CRN 169 -ATOM 101 CG ASN 14 9.555 2.856 3.730 1.00 6.82 1CRN 170 -ATOM 102 OD1 ASN 14 10.013 3.895 3.323 1.00 9.43 1CRN 171 -ATOM 103 ND2 ASN 14 10.120 1.956 4.539 1.00 8.21 1CRN 172 -ATOM 104 N VAL 15 4.993 2.927 2.571 1.00 3.76 1CRN 173 -ATOM 105 CA VAL 15 3.782 2.599 1.742 1.00 3.98 1CRN 174 -ATOM 106 C VAL 15 3.296 3.871 1.004 1.00 3.80 1CRN 175 -ATOM 107 O VAL 15 2.947 3.817 -.189 1.00 4.85 1CRN 176 -ATOM 108 CB VAL 15 2.698 1.953 2.608 1.00 4.71 1CRN 177 -ATOM 109 CG1 VAL 15 1.384 1.826 1.806 1.00 6.67 1CRN 178 -ATOM 110 CG2 VAL 15 3.174 .533 3.005 1.00 6.26 1CRN 179 -ATOM 111 N CYS 16 3.321 4.987 1.720 1.00 3.79 1CRN 180 -ATOM 112 CA CYS 16 2.890 6.285 1.126 1.00 3.54 1CRN 181 -ATOM 113 C CYS 16 3.687 6.597 -.111 1.00 3.48 1CRN 182 -ATOM 114 O CYS 16 3.200 7.147 -1.103 1.00 4.63 1CRN 183 -ATOM 115 CB CYS 16 3.039 7.369 2.240 1.00 4.58 1CRN 184 -ATOM 116 SG CYS 16 2.559 9.014 1.649 1.00 5.66 1CRN 185 -ATOM 117 N ARG 17 4.997 6.227 -.100 1.00 3.99 1CRN 186 -ATOM 118 CA ARG 17 5.895 6.489 -1.213 1.00 3.83 1CRN 187 -ATOM 119 C ARG 17 5.738 5.560 -2.409 1.00 3.79 1CRN 188 -ATOM 120 O ARG 17 6.228 5.901 -3.507 1.00 5.39 1CRN 189 -ATOM 121 CB ARG 17 7.370 6.507 -.731 1.00 4.11 1CRN 190 -ATOM 122 CG ARG 17 7.717 7.687 .206 1.00 4.69 1CRN 191 -ATOM 123 CD ARG 17 7.949 8.947 -.615 1.00 5.10 1CRN 192 -ATOM 124 NE ARG 17 9.212 8.856 -1.337 1.00 4.71 1CRN 193 -ATOM 125 CZ ARG 17 9.537 9.533 -2.431 1.00 5.28 1CRN 194 -ATOM 126 NH1 ARG 17 8.659 10.350 -3.032 1.00 6.67 1CRN 195 -ATOM 127 NH2 ARG 17 10.793 9.491 -2.899 1.00 6.41 1CRN 196 -ATOM 128 N LEU 18 5.051 4.411 -2.204 1.00 4.70 1CRN 197 -ATOM 129 CA LEU 18 4.933 3.431 -3.326 1.00 5.46 1CRN 198 -ATOM 130 C LEU 18 4.397 4.014 -4.620 1.00 5.13 1CRN 199 -ATOM 131 O LEU 18 4.988 3.755 -5.687 1.00 5.55 1CRN 200 -ATOM 132 CB LEU 18 4.196 2.184 -2.863 1.00 6.47 1CRN 201 -ATOM 133 CG LEU 18 4.960 1.178 -1.991 1.00 7.43 1CRN 202 -ATOM 134 CD1 LEU 18 3.907 .097 -1.634 1.00 8.70 1CRN 203 -ATOM 135 CD2 LEU 18 6.129 .606 -2.768 1.00 9.39 1CRN 204 -ATOM 136 N PRO 19 3.329 4.795 -4.543 1.00 4.28 1CRN 205 -ATOM 137 CA PRO 19 2.792 5.376 -5.797 1.00 5.38 1CRN 206 -ATOM 138 C PRO 19 3.573 6.540 -6.322 1.00 6.30 1CRN 207 -ATOM 139 O PRO 19 3.260 7.045 -7.422 1.00 9.62 1CRN 208 -ATOM 140 CB PRO 19 1.358 5.766 -5.472 1.00 5.87 1CRN 209 -ATOM 141 CG PRO 19 1.223 5.694 -3.993 1.00 6.47 1CRN 210 -ATOM 142 CD PRO 19 2.421 4.941 -3.408 1.00 6.45 1CRN 211 -ATOM 143 N GLY 20 4.565 7.047 -5.559 1.00 4.94 1CRN 212 -ATOM 144 CA GLY 20 5.366 8.191 -6.018 1.00 5.39 1CRN 213 -ATOM 145 C GLY 20 5.007 9.481 -5.280 1.00 5.03 1CRN 214 -ATOM 146 O GLY 20 5.535 10.510 -5.730 1.00 7.34 1CRN 215 -ATOM 147 N THR 21 4.181 9.438 -4.262 1.00 4.10 1CRN 216 -ATOM 148 CA THR 21 3.767 10.609 -3.513 1.00 3.94 1CRN 217 -ATOM 149 C THR 21 5.017 11.397 -3.042 1.00 3.96 1CRN 218 -ATOM 150 O THR 21 5.947 10.757 -2.523 1.00 5.82 1CRN 219 -ATOM 151 CB THR 21 2.992 10.188 -2.225 1.00 4.13 1CRN 220 -ATOM 152 OG1 THR 21 2.051 9.144 -2.623 1.00 5.45 1CRN 221 -ATOM 153 CG2 THR 21 2.260 11.349 -1.551 1.00 5.41 1CRN 222 -ATOM 154 N PRO 22 4.971 12.703 -3.176 1.00 5.04 1CRN 223 -ATOM 155 CA PRO 22 6.143 13.513 -2.696 1.00 4.69 1CRN 224 -ATOM 156 C PRO 22 6.400 13.233 -1.225 1.00 4.19 1CRN 225 -ATOM 157 O PRO 22 5.485 13.061 -.382 1.00 4.47 1CRN 226 -ATOM 158 CB PRO 22 5.703 14.969 -2.920 1.00 7.12 1CRN 227 -ATOM 159 CG PRO 22 4.676 14.893 -3.996 1.00 7.03 1CRN 228 -ATOM 160 CD PRO 22 3.964 13.567 -3.811 1.00 4.90 1CRN 229 -ATOM 161 N GLU 23 7.728 13.297 -.921 1.00 5.16 1CRN 230 -ATOM 162 CA GLU 23 8.114 13.103 .500 1.00 5.31 1CRN 231 -ATOM 163 C GLU 23 7.427 14.073 1.410 1.00 4.11 1CRN 232 -ATOM 164 O GLU 23 7.036 13.682 2.540 1.00 5.11 1CRN 233 -ATOM 165 CB GLU 23 9.648 13.285 .660 1.00 6.16 1CRN 234 -ATOM 166 CG GLU 23 10.440 12.093 .063 1.00 7.48 1CRN 235 -ATOM 167 CD GLU 23 11.941 12.170 .391 1.00 9.40 1CRN 236 -ATOM 168 OE1 GLU 23 12.416 13.225 .681 1.00 10.40 1CRN 237 -ATOM 169 OE2 GLU 23 12.539 11.070 .292 1.00 13.32 1CRN 238 -ATOM 170 N ALA 24 7.212 15.334 .966 1.00 4.56 1CRN 239 -ATOM 171 CA ALA 24 6.614 16.317 1.913 1.00 4.49 1CRN 240 -ATOM 172 C ALA 24 5.212 15.936 2.350 1.00 4.10 1CRN 241 -ATOM 173 O ALA 24 4.782 16.166 3.495 1.00 5.64 1CRN 242 -ATOM 174 CB ALA 24 6.605 17.695 1.246 1.00 5.80 1CRN 243 -ATOM 175 N ILE 25 4.445 15.318 1.405 1.00 4.37 1CRN 244 -ATOM 176 CA ILE 25 3.074 14.894 1.756 1.00 5.44 1CRN 245 -ATOM 177 C ILE 25 3.085 13.643 2.645 1.00 4.32 1CRN 246 -ATOM 178 O ILE 25 2.315 13.523 3.578 1.00 4.72 1CRN 247 -ATOM 179 CB ILE 25 2.204 14.637 .462 1.00 6.42 1CRN 248 -ATOM 180 CG1 ILE 25 1.815 16.048 -.129 1.00 7.50 1CRN 249 -ATOM 181 CG2 ILE 25 .903 13.864 .811 1.00 7.65 1CRN 250 -ATOM 182 CD1 ILE 25 .756 16.761 .757 1.00 7.80 1CRN 251 -ATOM 183 N CYS 26 4.032 12.764 2.313 1.00 3.92 1CRN 252 -ATOM 184 CA CYS 26 4.180 11.549 3.187 1.00 4.37 1CRN 253 -ATOM 185 C CYS 26 4.632 11.944 4.596 1.00 3.95 1CRN 254 -ATOM 186 O CYS 26 4.227 11.252 5.547 1.00 4.74 1CRN 255 -ATOM 187 CB CYS 26 5.038 10.518 2.539 1.00 4.63 1CRN 256 -ATOM 188 SG CYS 26 4.349 9.794 1.022 1.00 5.61 1CRN 257 -ATOM 189 N ALA 27 5.408 13.012 4.694 1.00 3.89 1CRN 258 -ATOM 190 CA ALA 27 5.879 13.502 6.026 1.00 4.43 1CRN 259 -ATOM 191 C ALA 27 4.696 13.908 6.882 1.00 4.26 1CRN 260 -ATOM 192 O ALA 27 4.528 13.422 8.025 1.00 5.44 1CRN 261 -ATOM 193 CB ALA 27 6.880 14.615 5.830 1.00 5.36 1CRN 262 -ATOM 194 N THR 28 3.827 14.802 6.358 1.00 4.53 1CRN 263 -ATOM 195 CA THR 28 2.691 15.221 7.194 1.00 5.08 1CRN 264 -ATOM 196 C THR 28 1.672 14.132 7.434 1.00 4.62 1CRN 265 -ATOM 197 O THR 28 .947 14.112 8.468 1.00 7.80 1CRN 266 -ATOM 198 CB THR 28 1.986 16.520 6.614 1.00 6.03 1CRN 267 -ATOM 199 OG1 THR 28 1.664 16.221 5.230 1.00 7.19 1CRN 268 -ATOM 200 CG2 THR 28 2.914 17.739 6.700 1.00 7.34 1CRN 269 -ATOM 201 N TYR 29 1.621 13.190 6.511 1.00 5.01 1CRN 270 -ATOM 202 CA TYR 29 .715 12.045 6.657 1.00 6.60 1CRN 271 -ATOM 203 C TYR 29 1.125 11.125 7.815 1.00 4.92 1CRN 272 -ATOM 204 O TYR 29 .286 10.632 8.545 1.00 7.13 1CRN 273 -ATOM 205 CB TYR 29 .755 11.229 5.322 1.00 9.66 1CRN 274 -ATOM 206 CG TYR 29 -.203 10.044 5.354 1.00 11.56 1CRN 275 -ATOM 207 CD1 TYR 29 -1.547 10.337 5.645 1.00 12.85 1CRN 276 -ATOM 208 CD2 TYR 29 .193 8.750 5.100 1.00 14.44 1CRN 277 -ATOM 209 CE1 TYR 29 -2.496 9.329 5.673 1.00 16.61 1CRN 278 -ATOM 210 CE2 TYR 29 -.801 7.705 5.156 1.00 17.11 1CRN 279 -ATOM 211 CZ TYR 29 -2.079 8.031 5.430 1.00 19.99 1CRN 280 -ATOM 212 OH TYR 29 -3.097 7.057 5.458 1.00 28.98 1CRN 281 -ATOM 213 N THR 30 2.470 10.984 7.995 1.00 5.31 1CRN 282 -ATOM 214 CA THR 30 2.986 9.994 8.950 1.00 5.70 1CRN 283 -ATOM 215 C THR 30 3.609 10.505 10.230 1.00 6.28 1CRN 284 -ATOM 216 O THR 30 3.766 9.715 11.186 1.00 8.77 1CRN 285 -ATOM 217 CB THR 30 4.076 9.103 8.225 1.00 6.55 1CRN 286 -ATOM 218 OG1 THR 30 5.125 10.027 7.824 1.00 6.57 1CRN 287 -ATOM 219 CG2 THR 30 3.493 8.324 7.035 1.00 7.29 1CRN 288 -ATOM 220 N GLY 31 3.984 11.764 10.241 1.00 4.99 1CRN 289 -ATOM 221 CA GLY 31 4.769 12.336 11.360 1.00 5.50 1CRN 290 -ATOM 222 C GLY 31 6.255 12.243 11.106 1.00 4.19 1CRN 291 -ATOM 223 O GLY 31 7.037 12.750 11.954 1.00 6.12 1CRN 292 -ATOM 224 N CYS 32 6.710 11.631 9.992 1.00 4.30 1CRN 293 -ATOM 225 CA CYS 32 8.140 11.694 9.635 1.00 4.89 1CRN 294 -ATOM 226 C CYS 32 8.500 13.141 9.206 1.00 5.50 1CRN 295 -ATOM 227 O CYS 32 7.581 13.949 8.944 1.00 5.82 1CRN 296 -ATOM 228 CB CYS 32 8.504 10.686 8.530 1.00 4.66 1CRN 297 -ATOM 229 SG CYS 32 8.048 8.987 8.881 1.00 5.33 1CRN 298 -ATOM 230 N ILE 33 9.793 13.410 9.173 1.00 6.02 1CRN 299 -ATOM 231 CA ILE 33 10.280 14.760 8.823 1.00 5.24 1CRN 300 -ATOM 232 C ILE 33 11.346 14.658 7.743 1.00 5.16 1CRN 301 -ATOM 233 O ILE 33 11.971 13.583 7.552 1.00 7.19 1CRN 302 -ATOM 234 CB ILE 33 10.790 15.535 10.085 1.00 5.49 1CRN 303 -ATOM 235 CG1 ILE 33 12.059 14.803 10.671 1.00 6.85 1CRN 304 -ATOM 236 CG2 ILE 33 9.684 15.686 11.138 1.00 6.45 1CRN 305 -ATOM 237 CD1 ILE 33 12.733 15.676 11.781 1.00 8.94 1CRN 306 -ATOM 238 N ILE 34 11.490 15.773 7.038 1.00 5.52 1CRN 307 -ATOM 239 CA ILE 34 12.552 15.877 6.036 1.00 6.82 1CRN 308 -ATOM 240 C ILE 34 13.590 16.917 6.560 1.00 6.92 1CRN 309 -ATOM 241 O ILE 34 13.168 18.006 6.945 1.00 9.22 1CRN 310 -ATOM 242 CB ILE 34 11.987 16.360 4.681 1.00 8.11 1CRN 311 -ATOM 243 CG1 ILE 34 10.914 15.338 4.163 1.00 9.59 1CRN 312 -ATOM 244 CG2 ILE 34 13.131 16.517 3.629 1.00 9.73 1CRN 313 -ATOM 245 CD1 ILE 34 10.151 16.024 2.938 1.00 13.41 1CRN 314 -ATOM 246 N ILE 35 14.856 16.493 6.536 1.00 7.06 1CRN 315 -ATOM 247 CA ILE 35 15.930 17.454 6.941 1.00 7.52 1CRN 316 -ATOM 248 C ILE 35 16.913 17.550 5.819 1.00 6.63 1CRN 317 -ATOM 249 O ILE 35 17.097 16.660 4.970 1.00 7.90 1CRN 318 -ATOM 250 CB ILE 35 16.622 16.995 8.285 1.00 8.07 1CRN 319 -ATOM 251 CG1 ILE 35 17.360 15.651 8.067 1.00 9.41 1CRN 320 -ATOM 252 CG2 ILE 35 15.592 16.974 9.434 1.00 9.46 1CRN 321 -ATOM 253 CD1 ILE 35 18.298 15.206 9.219 1.00 9.85 1CRN 322 -ATOM 254 N PRO 36 17.664 18.669 5.806 1.00 8.07 1CRN 323 -ATOM 255 CA PRO 36 18.635 18.861 4.738 1.00 8.78 1CRN 324 -ATOM 256 C PRO 36 19.925 18.042 4.949 1.00 8.31 1CRN 325 -ATOM 257 O PRO 36 20.593 17.742 3.945 1.00 9.09 1CRN 326 -ATOM 258 CB PRO 36 18.945 20.364 4.783 1.00 9.67 1CRN 327 -ATOM 259 CG PRO 36 18.238 20.937 5.908 1.00 10.15 1CRN 328 -ATOM 260 CD PRO 36 17.371 19.900 6.596 1.00 9.53 1CRN 329 -ATOM 261 N GLY 37 20.172 17.730 6.217 1.00 8.48 1CRN 330 -ATOM 262 CA GLY 37 21.452 16.969 6.513 1.00 9.20 1CRN 331 -ATOM 263 C GLY 37 21.143 15.478 6.427 1.00 10.41 1CRN 332 -ATOM 264 O GLY 37 20.138 15.023 5.878 1.00 12.06 1CRN 333 -ATOM 265 N ALA 38 22.055 14.701 7.032 1.00 9.24 1CRN 334 -ATOM 266 CA ALA 38 22.019 13.242 7.020 1.00 9.24 1CRN 335 -ATOM 267 C ALA 38 21.944 12.628 8.396 1.00 9.60 1CRN 336 -ATOM 268 O ALA 38 21.869 11.387 8.435 1.00 13.65 1CRN 337 -ATOM 269 CB ALA 38 23.246 12.697 6.275 1.00 10.43 1CRN 338 -ATOM 270 N THR 39 21.894 13.435 9.436 1.00 8.70 1CRN 339 -ATOM 271 CA THR 39 21.936 12.911 10.809 1.00 9.46 1CRN 340 -ATOM 272 C THR 39 20.615 13.191 11.521 1.00 8.32 1CRN 341 -ATOM 273 O THR 39 20.357 14.317 11.948 1.00 9.89 1CRN 342 -ATOM 274 CB THR 39 23.131 13.601 11.593 1.00 10.72 1CRN 343 -ATOM 275 OG1 THR 39 24.284 13.401 10.709 1.00 11.66 1CRN 344 -ATOM 276 CG2 THR 39 23.340 12.935 12.962 1.00 11.81 1CRN 345 -ATOM 277 N CYS 40 19.827 12.110 11.642 1.00 7.64 1CRN 346 -ATOM 278 CA CYS 40 18.504 12.312 12.298 1.00 8.05 1CRN 347 -ATOM 279 C CYS 40 18.684 12.451 13.784 1.00 7.63 1CRN 348 -ATOM 280 O CYS 40 19.533 11.718 14.362 1.00 9.64 1CRN 349 -ATOM 281 CB CYS 40 17.582 11.117 11.996 1.00 7.80 1CRN 350 -ATOM 282 SG CYS 40 17.199 10.929 10.237 1.00 7.30 1CRN 351 -ATOM 283 N PRO 41 17.880 13.266 14.426 1.00 8.00 1CRN 352 -ATOM 284 CA PRO 41 17.924 13.421 15.877 1.00 8.96 1CRN 353 -ATOM 285 C PRO 41 17.392 12.206 16.594 1.00 9.06 1CRN 354 -ATOM 286 O PRO 41 16.652 11.368 16.033 1.00 8.82 1CRN 355 -ATOM 287 CB PRO 41 17.076 14.658 16.145 1.00 10.39 1CRN 356 -ATOM 288 CG PRO 41 16.098 14.689 14.997 1.00 10.99 1CRN 357 -ATOM 289 CD PRO 41 16.859 14.150 13.779 1.00 10.49 1CRN 358 -ATOM 290 N GLY 42 17.728 12.124 17.884 1.00 7.55 1CRN 359 -ATOM 291 CA GLY 42 17.334 10.956 18.691 1.00 8.00 1CRN 360 -ATOM 292 C GLY 42 15.875 10.688 18.871 1.00 7.22 1CRN 361 -ATOM 293 O GLY 42 15.434 9.550 19.166 1.00 8.41 1CRN 362 -ATOM 294 N ASP 43 15.036 11.747 18.715 1.00 5.54 1CRN 363 -ATOM 295 CA ASP 43 13.564 11.573 18.836 1.00 5.85 1CRN 364 -ATOM 296 C ASP 43 12.936 11.227 17.470 1.00 5.87 1CRN 365 -ATOM 297 O ASP 43 11.720 11.040 17.428 1.00 7.29 1CRN 366 -ATOM 298 CB ASP 43 12.933 12.737 19.580 1.00 6.72 1CRN 367 -ATOM 299 CG ASP 43 13.140 14.094 18.958 1.00 8.59 1CRN 368 -ATOM 300 OD1 ASP 43 14.109 14.303 18.212 1.00 9.59 1CRN 369 -ATOM 301 OD2 ASP 43 12.267 14.963 19.265 1.00 11.45 1CRN 370 -ATOM 302 N TYR 44 13.725 11.174 16.425 1.00 5.22 1CRN 371 -ATOM 303 CA TYR 44 13.257 10.745 15.081 1.00 5.56 1CRN 372 -ATOM 304 C TYR 44 14.275 9.687 14.612 1.00 4.61 1CRN 373 -ATOM 305 O TYR 44 14.930 9.862 13.568 1.00 6.04 1CRN 374 -ATOM 306 CB TYR 44 13.200 11.914 14.071 1.00 5.41 1CRN 375 -ATOM 307 CG TYR 44 12.000 12.819 14.399 1.00 5.34 1CRN 376 -ATOM 308 CD1 TYR 44 12.119 13.853 15.332 1.00 6.59 1CRN 377 -ATOM 309 CD2 TYR 44 10.775 12.617 13.762 1.00 5.94 1CRN 378 -ATOM 310 CE1 TYR 44 11.045 14.675 15.610 1.00 5.97 1CRN 379 -ATOM 311 CE2 TYR 44 9.676 13.433 14.048 1.00 5.17 1CRN 380 -ATOM 312 CZ TYR 44 9.802 14.456 14.996 1.00 5.96 1CRN 381 -ATOM 313 OH TYR 44 8.740 15.265 15.269 1.00 8.60 1CRN 382 -ATOM 314 N ALA 45 14.342 8.640 15.422 1.00 4.76 1CRN 383 -ATOM 315 CA ALA 45 15.445 7.667 15.246 1.00 5.89 1CRN 384 -ATOM 316 C ALA 45 15.171 6.533 14.280 1.00 6.67 1CRN 385 -ATOM 317 O ALA 45 16.093 5.705 14.039 1.00 7.56 1CRN 386 -ATOM 318 CB ALA 45 15.680 7.099 16.682 1.00 6.82 1CRN 387 -ATOM 319 N ASN 46 13.966 6.502 13.739 1.00 5.80 1CRN 388 -ATOM 320 CA ASN 46 13.512 5.395 12.878 1.00 6.15 1CRN 389 -ATOM 321 C ASN 46 13.311 5.853 11.455 1.00 6.61 1CRN 390 -ATOM 322 O ASN 46 13.733 6.929 11.026 1.00 7.18 1CRN 391 -ATOM 323 CB ASN 46 12.266 4.769 13.501 1.00 7.27 1CRN 392 -ATOM 324 CG ASN 46 12.538 4.304 14.922 1.00 7.98 1CRN 393 -ATOM 325 OD1 ASN 46 11.982 4.849 15.886 1.00 11.00 1CRN 394 -ATOM 326 ND2 ASN 46 13.407 3.298 15.015 1.00 10.32 1CRN 395 -ATOM 327 OXT ASN 46 12.703 4.973 10.746 1.00 7.86 1CRN 396 -TER 328 ASN 46 1CRN 397 -CONECT 20 19 282 1CRN 398 -CONECT 26 25 229 1CRN 399 -CONECT 116 115 188 1CRN 400 -CONECT 188 116 187 1CRN 401 -CONECT 229 26 228 1CRN 402 -CONECT 282 20 281 1CRN 403 -MASTER 62 0 0 2 2 1 0 6 327 1 6 4 1CRND 6 -END 1CRN 405 diff --git a/src/external/OpenCTM-1.0.3/openctm.pro b/src/external/OpenCTM-1.0.3/openctm.pro index 618a7bfec..fae981cc5 100644 --- a/src/external/OpenCTM-1.0.3/openctm.pro +++ b/src/external/OpenCTM-1.0.3/openctm.pro @@ -1,5 +1,4 @@ -EXTERNAL_BASE_PATH = ../ -include($$EXTERNAL_BASE_PATH/ext_common.pri) +include(../ext_common.pri) TEMPLATE = lib TARGET = openctm CONFIG += staticlib diff --git a/src/external/bzip2-1.0.5/bzip2-1.0.5.pro b/src/external/bzip2-1.0.5/bzip2-1.0.5.pro index 33773622e..e35118b94 100644 --- a/src/external/bzip2-1.0.5/bzip2-1.0.5.pro +++ b/src/external/bzip2-1.0.5/bzip2-1.0.5.pro @@ -1,5 +1,4 @@ -EXTERNAL_BASE_PATH = ../ -include($$EXTERNAL_BASE_PATH/ext_common.pri) +include(../ext_common.pri) TEMPLATE = lib TARGET = bz2 CONFIG += staticlib diff --git a/src/external/ext_common.pri b/src/external/ext_common.pri index 943049fe9..38ada1927 100644 --- a/src/external/ext_common.pri +++ b/src/external/ext_common.pri @@ -1,11 +1,12 @@ -linux:DESTDIR = $$EXTERNAL_BASE_PATH/lib/linux-g++ -macx:DESTDIR = $$EXTERNAL_BASE_PATH/lib/macx64 -win32-g++:DESTDIR = $$EXTERNAL_BASE_PATH/lib/win32-gcc -win32-msvc:DESTDIR = $$EXTERNAL_BASE_PATH/lib/win32-msvc +linux:DESTDIR = $$MESHLAB_DISTRIB_DIRECTORY/lib/linux-g++ +macx:DESTDIR = $$MESHLAB_DISTRIB_DIRECTORY/lib/macx64 +win32-g++:DESTDIR = $$MESHLAB_DISTRIB_DIRECTORY/lib/win32-gcc +win32-msvc:DESTDIR = $$MESHLAB_DISTRIB_DIRECTORY/lib/win32-msvc unix:CONFIG(release, debug|release) { DEFINES *= NDEBUG } +#not showing warnings from external libraries QMAKE_CXXFLAGS+=-w QMAKE_CFLAGS+=-w diff --git a/src/external/jhead-3.04/jhead-3.04.pro b/src/external/jhead-3.04/jhead-3.04.pro index 9cc983fc2..b17219332 100755 --- a/src/external/jhead-3.04/jhead-3.04.pro +++ b/src/external/jhead-3.04/jhead-3.04.pro @@ -1,5 +1,4 @@ -EXTERNAL_BASE_PATH = ../ -include($$EXTERNAL_BASE_PATH/ext_common.pri) +include(../ext_common.pri) TEMPLATE = lib TARGET = jhead CONFIG += staticlib diff --git a/src/external/levmar-2.3/levmar-2.3.pro b/src/external/levmar-2.3/levmar-2.3.pro index 6f75d2697..94f1b5622 100644 --- a/src/external/levmar-2.3/levmar-2.3.pro +++ b/src/external/levmar-2.3/levmar-2.3.pro @@ -1,5 +1,4 @@ -EXTERNAL_BASE_PATH = ../ -include($$EXTERNAL_BASE_PATH/ext_common.pri) +include(../ext_common.pri) TEMPLATE = lib TARGET = levmar CONFIG += staticlib diff --git a/src/external/lib3ds-1.3.0/lib3ds.pro b/src/external/lib3ds-1.3.0/lib3ds.pro index be41feb0b..ce1c0e901 100644 --- a/src/external/lib3ds-1.3.0/lib3ds.pro +++ b/src/external/lib3ds-1.3.0/lib3ds.pro @@ -1,5 +1,4 @@ -EXTERNAL_BASE_PATH = ../ -include($$EXTERNAL_BASE_PATH/ext_common.pri) +include(../ext_common.pri) TEMPLATE = lib TARGET = 3ds CONFIG += staticlib diff --git a/src/external/muparser_v225/muParser.pro b/src/external/muparser_v225/muParser.pro index 72ccd66ac..87591e54d 100644 --- a/src/external/muparser_v225/muParser.pro +++ b/src/external/muparser_v225/muParser.pro @@ -1,5 +1,4 @@ -EXTERNAL_BASE_PATH = ../ -include($$EXTERNAL_BASE_PATH/ext_common.pri) +include(../ext_common.pri) TEMPLATE = lib DEFINES += _UNICODE TARGET = muparser diff --git a/src/external/structuresynth-1.5/structuresynth.pro b/src/external/structuresynth-1.5/structuresynth.pro index d482d7c0e..bbc410ff2 100644 --- a/src/external/structuresynth-1.5/structuresynth.pro +++ b/src/external/structuresynth-1.5/structuresynth.pro @@ -1,5 +1,4 @@ -EXTERNAL_BASE_PATH = ../ -include($$EXTERNAL_BASE_PATH/ext_common.pri) +include(../ext_common.pri) CONFIG += c++11 diff --git a/src/meshlab.pro b/src/meshlab.pro index eb85b76c2..c9153886a 100644 --- a/src/meshlab.pro +++ b/src/meshlab.pro @@ -7,6 +7,7 @@ # - qmake "CONFIG += meshlab_mini" # # MeshLab qmake config uses the following variables: +# # MESHLAB_SOURCE_DIRECTORY: the directory where is placed the main meshlab.pro # MESHLAB_BUILD_DIRECTORY: the directory where the meshlab build files are placed # MESHLAB_DISTRIB_DIRECTORY: the directory that will contain all the files necessary @@ -17,7 +18,7 @@ TEMPLATE = subdirs CONFIG += ordered -#message("Master DISTRIB_DIRECTORY: "$$MESHLAB_DISTRIB_DIRECTORY) +message("DISTRIB_DIRECTORY: "$$MESHLAB_DISTRIB_DIRECTORY) SUBDIRS = external \ common \ @@ -112,20 +113,29 @@ SUBDIRS += \ !equals(PWD, $${OUT_PWD}) { !meshlab_mini{ - #copying the "plugins" folder inside the build directory. + #copying the "plugins" folder inside the build directory/distrib #this should be removed after fixing U3D compilation - plugins.commands = $(COPY_DIR) $$PWD/distrib/plugins $$OUT_PWD/distrib + plugins.commands = $(COPY_DIR) $$PWD/../distrib/plugins $$OUT_PWD/distrib first.depends = $(first) plugins export(first.depends) export(plugins.commands) -} QMAKE_EXTRA_TARGETS += first plugins +} - #copying the "shaders" folder inside the build directory - shaders.commands = $(COPY_DIR) $$PWD/distrib/shaders $$OUT_PWD/distrib + #copying the "shaders" folder inside the build directory/distrib + shaders.commands = $(COPY_DIR) $$PWD/../distrib/shaders $$OUT_PWD/distrib first.depends += $(first) shaders export(first.depends) export(shaders.commands) + QMAKE_EXTRA_TARGETS += first shaders + + #copying the "textures" folder inside the build directory/distrib + textures.commands = $(COPY_DIR) $$PWD/../distrib/textures $$OUT_PWD/distrib + first.depends += $(first) textures + export(first.depends) + export(textures.commands) + + QMAKE_EXTRA_TARGETS += first textures }