USER MOD reduce.3.24.130724 H: found=0, std=0, add=1108, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1107 hydrogens (20 hets) 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 NoAdj-H: B 170 SEP H2 : B 170 SEP N : B 169 ASN C :(H bumps) USER MOD NoAdj-H: B 171 SEP H2 : B 171 SEP N : B 170 SEP C :(H bumps) USER MOD NoAdj-H: B 173 SEP H2 : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 173 SEP H : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 174 SEP H2 : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 174 SEP H : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H2 : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD Set 1.1: A 74 ASN : amide:sc= -2.3! C(o=-5.2!,f=-2.4!) USER MOD Set 1.2: A 76 ASN : amide:sc= -2.89! K(o=-5.2!,f=-1.1) USER MOD Set 2.1: A 43 GLN : amide:sc= -0.53 X(o=0.75,f=0.49) USER MOD Set 2.2: A 115 SER OG : rot 43:sc= 1.28 USER MOD Set 3.1: A 26 GLN : amide:sc= 0.129 X(o=-0.64,f=-0.46) USER MOD Set 3.2: A 27 HIS : no HE2:sc= -0.765 X(o=-0.64,f=-0.46) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.0358 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 138:sc= 1.35 USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -0.0224 (180deg=-0.236) USER MOD Single : A 9 GLN : amide:sc= 0.262 K(o=0.26,f=-0.48) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0343 X(o=-0.034,f=-0.39) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00198 USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0121) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.031) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -108:sc= 0.688 (180deg=-1.25) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 2.59 (180deg=2.39) USER MOD Single : A 57 HIS : no HD1:sc= -0.821 X(o=-0.82,f=-0.7) USER MOD Single : A 59 ASN : amide:sc= -3.39! K(o=-3.4!,f=-0.89) USER MOD Single : A 60 MET CE :methyl -171:sc= -1.6 (180deg=-2.01) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.132 K(o=-0.13,f=-4.6!) USER MOD Single : A 84 ASN : amide:sc= 0.6 K(o=0.6,f=-1) USER MOD Single : A 86 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=-0.013) USER MOD Single : A 87 SER OG : rot -170:sc= 0 USER MOD Single : A 88 MET CE :methyl -179:sc= -0.116 (180deg=-0.117) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -170:sc= -0.147 USER MOD Single : A 96 SER OG : rot -100:sc= 1.37 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.0706 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -162:sc= -0.0668 (180deg=-0.99) USER MOD Single : A 113 TYR OH : rot -175:sc= 1.17 USER MOD Single : A 116 GLN : amide:sc= 0.0125 X(o=0.013,f=-0.0056) USER MOD Single : A 118 THR OG1 : rot 19:sc= 0.0293 USER MOD Single : B 169 ASN : amide:sc= -1.89! C(o=-1.9!,f=-2!) USER MOD Single : B 183 MET CE :methyl -174:sc= 0 (180deg=-0.0318) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.120 -27.440 -8.512 1.00 53.11 N ATOM 2 CA GLY A 1 -2.394 -26.147 -9.138 1.00 43.43 C ATOM 3 C GLY A 1 -2.101 -25.053 -8.134 1.00 54.24 C ATOM 4 O GLY A 1 -2.450 -25.188 -6.961 1.00 55.34 O ATOM 0 H1 GLY A 1 -2.822 -28.137 -8.833 1.00 53.11 H new ATOM 0 H2 GLY A 1 -1.167 -27.760 -8.779 1.00 53.11 H new ATOM 0 H3 GLY A 1 -2.176 -27.344 -7.478 1.00 53.11 H new ATOM 0 HA2 GLY A 1 -1.777 -26.019 -10.028 1.00 43.43 H new ATOM 0 HA3 GLY A 1 -3.434 -26.096 -9.461 1.00 43.43 H new ATOM 8 N ALA A 2 -1.410 -23.998 -8.563 1.00 72.11 N ATOM 9 CA ALA A 2 -1.039 -22.870 -7.730 1.00 24.41 C ATOM 10 C ALA A 2 -1.220 -21.609 -8.561 1.00 60.31 C ATOM 11 O ALA A 2 -0.892 -21.605 -9.747 1.00 64.52 O ATOM 12 CB ALA A 2 0.418 -23.030 -7.282 1.00 74.12 C ATOM 0 H ALA A 2 -1.087 -23.908 -9.526 1.00 72.11 H new ATOM 0 HA ALA A 2 -1.660 -22.813 -6.836 1.00 24.41 H new ATOM 0 HB1 ALA A 2 0.701 -22.184 -6.656 1.00 74.12 H new ATOM 0 HB2 ALA A 2 0.525 -23.954 -6.714 1.00 74.12 H new ATOM 0 HB3 ALA A 2 1.066 -23.066 -8.158 1.00 74.12 H new ATOM 18 N MET A 3 -1.780 -20.568 -7.955 1.00 62.10 N ATOM 19 CA MET A 3 -2.034 -19.273 -8.568 1.00 74.22 C ATOM 20 C MET A 3 -1.916 -18.227 -7.463 1.00 74.51 C ATOM 21 O MET A 3 -2.288 -18.499 -6.319 1.00 73.41 O ATOM 22 CB MET A 3 -3.449 -19.236 -9.174 1.00 63.50 C ATOM 23 CG MET A 3 -3.637 -20.183 -10.366 1.00 75.23 C ATOM 24 SD MET A 3 -5.245 -20.006 -11.182 1.00 15.01 S ATOM 25 CE MET A 3 -5.120 -21.310 -12.435 1.00 44.33 C ATOM 0 H MET A 3 -2.082 -20.607 -6.981 1.00 62.10 H new ATOM 0 HA MET A 3 -1.322 -19.080 -9.370 1.00 74.22 H new ATOM 0 HB2 MET A 3 -4.172 -19.493 -8.400 1.00 63.50 H new ATOM 0 HB3 MET A 3 -3.671 -18.218 -9.492 1.00 63.50 H new ATOM 0 HG2 MET A 3 -2.847 -20.000 -11.094 1.00 75.23 H new ATOM 0 HG3 MET A 3 -3.523 -21.212 -10.024 1.00 75.23 H new ATOM 0 HE1 MET A 3 -6.035 -21.335 -13.027 1.00 44.33 H new ATOM 0 HE2 MET A 3 -4.271 -21.107 -13.088 1.00 44.33 H new ATOM 0 HE3 MET A 3 -4.979 -22.273 -11.945 1.00 44.33 H new ATOM 35 N GLY A 4 -1.416 -17.036 -7.770 1.00 72.53 N ATOM 36 CA GLY A 4 -1.262 -15.956 -6.808 1.00 0.15 C ATOM 37 C GLY A 4 -2.352 -14.974 -7.160 1.00 40.41 C ATOM 38 O GLY A 4 -2.199 -14.234 -8.129 1.00 11.02 O ATOM 0 H GLY A 4 -1.102 -16.792 -8.709 1.00 72.53 H new ATOM 0 HA2 GLY A 4 -1.370 -16.318 -5.785 1.00 0.15 H new ATOM 0 HA3 GLY A 4 -0.276 -15.497 -6.882 1.00 0.15 H new ATOM 42 N LYS A 5 -3.473 -15.014 -6.436 1.00 0.04 N ATOM 43 CA LYS A 5 -4.603 -14.133 -6.703 1.00 60.53 C ATOM 44 C LYS A 5 -4.631 -12.932 -5.760 1.00 42.00 C ATOM 45 O LYS A 5 -5.079 -13.022 -4.613 1.00 34.45 O ATOM 46 CB LYS A 5 -5.892 -14.965 -6.815 1.00 40.23 C ATOM 47 CG LYS A 5 -6.226 -15.908 -5.645 1.00 34.55 C ATOM 48 CD LYS A 5 -7.346 -16.894 -6.032 1.00 41.21 C ATOM 49 CE LYS A 5 -6.873 -18.252 -6.577 1.00 34.41 C ATOM 50 NZ LYS A 5 -6.395 -19.189 -5.535 1.00 53.02 N ATOM 0 H LYS A 5 -3.619 -15.654 -5.655 1.00 0.04 H new ATOM 0 HA LYS A 5 -4.495 -13.653 -7.676 1.00 60.53 H new ATOM 0 HB2 LYS A 5 -6.728 -14.277 -6.943 1.00 40.23 H new ATOM 0 HB3 LYS A 5 -5.830 -15.564 -7.724 1.00 40.23 H new ATOM 0 HG2 LYS A 5 -5.334 -16.462 -5.354 1.00 34.55 H new ATOM 0 HG3 LYS A 5 -6.535 -15.323 -4.779 1.00 34.55 H new ATOM 0 HD2 LYS A 5 -7.969 -17.071 -5.155 1.00 41.21 H new ATOM 0 HD3 LYS A 5 -7.979 -16.421 -6.783 1.00 41.21 H new ATOM 0 HE2 LYS A 5 -7.694 -18.719 -7.121 1.00 34.41 H new ATOM 0 HE3 LYS A 5 -6.070 -18.084 -7.295 1.00 34.41 H new ATOM 0 HZ1 LYS A 5 -6.094 -20.079 -5.980 1.00 53.02 H new ATOM 0 HZ2 LYS A 5 -5.591 -18.766 -5.030 1.00 53.02 H new ATOM 0 HZ3 LYS A 5 -7.164 -19.381 -4.862 1.00 53.02 H new ATOM 64 N THR A 6 -4.185 -11.782 -6.265 1.00 63.44 N ATOM 65 CA THR A 6 -4.151 -10.532 -5.512 1.00 61.44 C ATOM 66 C THR A 6 -5.528 -9.847 -5.528 1.00 55.04 C ATOM 67 O THR A 6 -6.482 -10.305 -6.173 1.00 51.43 O ATOM 68 CB THR A 6 -3.015 -9.637 -6.054 1.00 62.21 C ATOM 69 OG1 THR A 6 -2.778 -8.568 -5.172 1.00 40.22 O ATOM 70 CG2 THR A 6 -3.294 -9.035 -7.434 1.00 11.22 C ATOM 0 H THR A 6 -3.834 -11.693 -7.218 1.00 63.44 H new ATOM 0 HA THR A 6 -3.932 -10.733 -4.463 1.00 61.44 H new ATOM 0 HB THR A 6 -2.153 -10.298 -6.143 1.00 62.21 H new ATOM 0 HG1 THR A 6 -1.812 -8.434 -5.072 1.00 40.22 H new ATOM 0 HG21 THR A 6 -2.447 -8.421 -7.741 1.00 11.22 H new ATOM 0 HG22 THR A 6 -3.442 -9.837 -8.158 1.00 11.22 H new ATOM 0 HG23 THR A 6 -4.192 -8.418 -7.387 1.00 11.22 H new ATOM 78 N PHE A 7 -5.622 -8.717 -4.822 1.00 60.20 N ATOM 79 CA PHE A 7 -6.809 -7.880 -4.694 1.00 33.41 C ATOM 80 C PHE A 7 -7.371 -7.540 -6.083 1.00 52.30 C ATOM 81 O PHE A 7 -8.567 -7.694 -6.317 1.00 35.21 O ATOM 82 CB PHE A 7 -6.468 -6.601 -3.893 1.00 64.34 C ATOM 83 CG PHE A 7 -5.601 -5.603 -4.637 1.00 3.25 C ATOM 84 CD1 PHE A 7 -4.211 -5.796 -4.705 1.00 73.40 C ATOM 85 CD2 PHE A 7 -6.193 -4.541 -5.350 1.00 22.34 C ATOM 86 CE1 PHE A 7 -3.429 -5.009 -5.564 1.00 15.22 C ATOM 87 CE2 PHE A 7 -5.404 -3.729 -6.181 1.00 1.03 C ATOM 88 CZ PHE A 7 -4.028 -3.981 -6.314 1.00 53.12 C ATOM 0 H PHE A 7 -4.829 -8.346 -4.299 1.00 60.20 H new ATOM 0 HA PHE A 7 -7.579 -8.426 -4.148 1.00 33.41 H new ATOM 0 HB2 PHE A 7 -7.397 -6.111 -3.604 1.00 64.34 H new ATOM 0 HB3 PHE A 7 -5.960 -6.889 -2.973 1.00 64.34 H new ATOM 0 HD1 PHE A 7 -3.743 -6.553 -4.094 1.00 73.40 H new ATOM 0 HD2 PHE A 7 -7.252 -4.352 -5.257 1.00 22.34 H new ATOM 0 HE1 PHE A 7 -2.368 -5.192 -5.649 1.00 15.22 H new ATOM 0 HE2 PHE A 7 -5.856 -2.909 -6.719 1.00 1.03 H new ATOM 0 HZ PHE A 7 -3.432 -3.387 -6.991 1.00 53.12 H new ATOM 98 N LYS A 8 -6.507 -7.175 -7.042 1.00 62.23 N ATOM 99 CA LYS A 8 -6.931 -6.802 -8.392 1.00 62.44 C ATOM 100 C LYS A 8 -7.567 -7.939 -9.188 1.00 3.03 C ATOM 101 O LYS A 8 -8.283 -7.680 -10.150 1.00 53.13 O ATOM 102 CB LYS A 8 -5.807 -6.025 -9.114 1.00 63.33 C ATOM 103 CG LYS A 8 -4.849 -6.802 -10.033 1.00 35.15 C ATOM 104 CD LYS A 8 -5.407 -6.992 -11.455 1.00 52.13 C ATOM 105 CE LYS A 8 -4.313 -7.073 -12.524 1.00 55.24 C ATOM 106 NZ LYS A 8 -3.616 -5.780 -12.690 1.00 1.33 N ATOM 0 H LYS A 8 -5.498 -7.131 -6.900 1.00 62.23 H new ATOM 0 HA LYS A 8 -7.768 -6.110 -8.300 1.00 62.44 H new ATOM 0 HB2 LYS A 8 -6.276 -5.242 -9.710 1.00 63.33 H new ATOM 0 HB3 LYS A 8 -5.206 -5.529 -8.352 1.00 63.33 H new ATOM 0 HG2 LYS A 8 -3.898 -6.273 -10.089 1.00 35.15 H new ATOM 0 HG3 LYS A 8 -4.645 -7.779 -9.594 1.00 35.15 H new ATOM 0 HD2 LYS A 8 -6.005 -7.903 -11.486 1.00 52.13 H new ATOM 0 HD3 LYS A 8 -6.076 -6.164 -11.690 1.00 52.13 H new ATOM 0 HE2 LYS A 8 -3.592 -7.843 -12.249 1.00 55.24 H new ATOM 0 HE3 LYS A 8 -4.754 -7.374 -13.474 1.00 55.24 H new ATOM 0 HZ1 LYS A 8 -3.139 -5.759 -13.614 1.00 1.33 H new ATOM 0 HZ2 LYS A 8 -4.307 -5.004 -12.639 1.00 1.33 H new ATOM 0 HZ3 LYS A 8 -2.911 -5.666 -11.934 1.00 1.33 H new ATOM 120 N GLN A 9 -7.254 -9.191 -8.849 1.00 51.02 N ATOM 121 CA GLN A 9 -7.829 -10.360 -9.504 1.00 42.02 C ATOM 122 C GLN A 9 -9.198 -10.661 -8.887 1.00 62.24 C ATOM 123 O GLN A 9 -10.177 -10.894 -9.593 1.00 4.22 O ATOM 124 CB GLN A 9 -6.901 -11.568 -9.356 1.00 22.53 C ATOM 125 CG GLN A 9 -5.765 -11.529 -10.381 1.00 20.51 C ATOM 126 CD GLN A 9 -4.813 -12.691 -10.140 1.00 72.43 C ATOM 127 OE1 GLN A 9 -5.198 -13.859 -10.183 1.00 2.44 O ATOM 128 NE2 GLN A 9 -3.582 -12.401 -9.777 1.00 20.23 N ATOM 0 H GLN A 9 -6.591 -9.420 -8.108 1.00 51.02 H new ATOM 0 HA GLN A 9 -7.949 -10.154 -10.568 1.00 42.02 H new ATOM 0 HB2 GLN A 9 -6.484 -11.587 -8.349 1.00 22.53 H new ATOM 0 HB3 GLN A 9 -7.474 -12.487 -9.481 1.00 22.53 H new ATOM 0 HG2 GLN A 9 -6.172 -11.584 -11.391 1.00 20.51 H new ATOM 0 HG3 GLN A 9 -5.227 -10.584 -10.305 1.00 20.51 H new ATOM 0 HE21 GLN A 9 -3.275 -11.429 -9.745 1.00 20.23 H new ATOM 0 HE22 GLN A 9 -2.934 -13.148 -9.527 1.00 20.23 H new ATOM 137 N ARG A 10 -9.291 -10.635 -7.551 1.00 31.12 N ATOM 138 CA ARG A 10 -10.540 -10.926 -6.833 1.00 24.15 C ATOM 139 C ARG A 10 -11.565 -9.789 -6.867 1.00 55.20 C ATOM 140 O ARG A 10 -12.661 -9.961 -6.343 1.00 71.14 O ATOM 141 CB ARG A 10 -10.226 -11.394 -5.399 1.00 73.52 C ATOM 142 CG ARG A 10 -9.597 -10.316 -4.515 1.00 22.55 C ATOM 143 CD ARG A 10 -8.946 -10.903 -3.260 1.00 55.04 C ATOM 144 NE ARG A 10 -9.931 -11.337 -2.265 1.00 14.35 N ATOM 145 CZ ARG A 10 -9.618 -11.767 -1.036 1.00 33.13 C ATOM 146 NH1 ARG A 10 -8.350 -11.941 -0.673 1.00 12.35 N ATOM 147 NH2 ARG A 10 -10.577 -12.037 -0.160 1.00 54.22 N ATOM 0 H ARG A 10 -8.506 -10.413 -6.939 1.00 31.12 H new ATOM 0 HA ARG A 10 -11.030 -11.739 -7.369 1.00 24.15 H new ATOM 0 HB2 ARG A 10 -11.148 -11.740 -4.931 1.00 73.52 H new ATOM 0 HB3 ARG A 10 -9.552 -12.249 -5.447 1.00 73.52 H new ATOM 0 HG2 ARG A 10 -8.848 -9.770 -5.089 1.00 22.55 H new ATOM 0 HG3 ARG A 10 -10.362 -9.597 -4.223 1.00 22.55 H new ATOM 0 HD2 ARG A 10 -8.322 -11.751 -3.542 1.00 55.04 H new ATOM 0 HD3 ARG A 10 -8.288 -10.157 -2.814 1.00 55.04 H new ATOM 0 HE ARG A 10 -10.917 -11.310 -2.525 1.00 14.35 H new ATOM 0 HH11 ARG A 10 -7.599 -11.746 -1.335 1.00 12.35 H new ATOM 0 HH12 ARG A 10 -8.129 -12.269 0.267 1.00 12.35 H new ATOM 0 HH21 ARG A 10 -11.555 -11.917 -0.422 1.00 54.22 H new ATOM 0 HH22 ARG A 10 -10.336 -12.364 0.775 1.00 54.22 H new ATOM 161 N ARG A 11 -11.245 -8.631 -7.446 1.00 4.25 N ATOM 162 CA ARG A 11 -12.118 -7.466 -7.578 1.00 43.33 C ATOM 163 C ARG A 11 -11.828 -6.950 -8.985 1.00 75.12 C ATOM 164 O ARG A 11 -10.705 -6.501 -9.230 1.00 74.42 O ATOM 165 CB ARG A 11 -11.827 -6.417 -6.478 1.00 54.42 C ATOM 166 CG ARG A 11 -12.263 -6.865 -5.066 1.00 24.44 C ATOM 167 CD ARG A 11 -11.823 -5.886 -3.961 1.00 74.12 C ATOM 168 NE ARG A 11 -12.112 -6.383 -2.604 1.00 32.25 N ATOM 169 CZ ARG A 11 -13.313 -6.516 -2.018 1.00 62.03 C ATOM 170 NH1 ARG A 11 -14.420 -6.068 -2.606 1.00 51.11 N ATOM 171 NH2 ARG A 11 -13.374 -7.113 -0.836 1.00 74.10 N ATOM 0 H ARG A 11 -10.324 -8.473 -7.856 1.00 4.25 H new ATOM 0 HA ARG A 11 -13.174 -7.703 -7.447 1.00 43.33 H new ATOM 0 HB2 ARG A 11 -10.759 -6.200 -6.468 1.00 54.42 H new ATOM 0 HB3 ARG A 11 -12.338 -5.488 -6.729 1.00 54.42 H new ATOM 0 HG2 ARG A 11 -13.348 -6.967 -5.042 1.00 24.44 H new ATOM 0 HG3 ARG A 11 -11.845 -7.850 -4.858 1.00 24.44 H new ATOM 0 HD2 ARG A 11 -10.753 -5.699 -4.054 1.00 74.12 H new ATOM 0 HD3 ARG A 11 -12.327 -4.931 -4.107 1.00 74.12 H new ATOM 0 HE ARG A 11 -11.305 -6.658 -2.044 1.00 32.25 H new ATOM 0 HH11 ARG A 11 -14.365 -5.614 -3.518 1.00 51.11 H new ATOM 0 HH12 ARG A 11 -15.323 -6.178 -2.145 1.00 51.11 H new ATOM 0 HH21 ARG A 11 -12.522 -7.458 -0.394 1.00 74.10 H new ATOM 0 HH22 ARG A 11 -14.273 -7.227 -0.368 1.00 74.10 H new ATOM 185 N THR A 12 -12.766 -7.088 -9.930 1.00 24.54 N ATOM 186 CA THR A 12 -12.573 -6.638 -11.314 1.00 14.05 C ATOM 187 C THR A 12 -12.309 -5.127 -11.389 1.00 12.13 C ATOM 188 O THR A 12 -12.473 -4.415 -10.399 1.00 51.42 O ATOM 189 CB THR A 12 -13.755 -7.082 -12.200 1.00 64.50 C ATOM 190 OG1 THR A 12 -13.358 -7.104 -13.559 1.00 72.54 O ATOM 191 CG2 THR A 12 -15.004 -6.217 -12.046 1.00 72.12 C ATOM 0 H THR A 12 -13.677 -7.513 -9.758 1.00 24.54 H new ATOM 0 HA THR A 12 -11.678 -7.119 -11.708 1.00 14.05 H new ATOM 0 HB THR A 12 -14.028 -8.081 -11.861 1.00 64.50 H new ATOM 0 HG1 THR A 12 -14.113 -7.388 -14.116 1.00 72.54 H new ATOM 0 HG21 THR A 12 -15.790 -6.593 -12.701 1.00 72.12 H new ATOM 0 HG22 THR A 12 -15.346 -6.252 -11.012 1.00 72.12 H new ATOM 0 HG23 THR A 12 -14.769 -5.187 -12.315 1.00 72.12 H new ATOM 199 N PHE A 13 -11.917 -4.642 -12.572 1.00 35.21 N ATOM 200 CA PHE A 13 -11.615 -3.240 -12.834 1.00 53.44 C ATOM 201 C PHE A 13 -12.735 -2.308 -12.377 1.00 20.41 C ATOM 202 O PHE A 13 -12.467 -1.372 -11.635 1.00 20.14 O ATOM 203 CB PHE A 13 -11.329 -3.019 -14.325 1.00 72.33 C ATOM 204 CG PHE A 13 -10.940 -1.584 -14.623 1.00 2.03 C ATOM 205 CD1 PHE A 13 -9.619 -1.153 -14.394 1.00 74.12 C ATOM 206 CD2 PHE A 13 -11.913 -0.655 -15.040 1.00 32.41 C ATOM 207 CE1 PHE A 13 -9.265 0.192 -14.593 1.00 70.52 C ATOM 208 CE2 PHE A 13 -11.564 0.693 -15.219 1.00 24.51 C ATOM 209 CZ PHE A 13 -10.239 1.115 -15.004 1.00 72.34 C ATOM 0 H PHE A 13 -11.799 -5.235 -13.394 1.00 35.21 H new ATOM 0 HA PHE A 13 -10.726 -2.996 -12.253 1.00 53.44 H new ATOM 0 HB2 PHE A 13 -10.527 -3.685 -14.643 1.00 72.33 H new ATOM 0 HB3 PHE A 13 -12.212 -3.283 -14.906 1.00 72.33 H new ATOM 0 HD1 PHE A 13 -8.873 -1.861 -14.063 1.00 74.12 H new ATOM 0 HD2 PHE A 13 -12.927 -0.979 -15.222 1.00 32.41 H new ATOM 0 HE1 PHE A 13 -8.247 0.514 -14.430 1.00 70.52 H new ATOM 0 HE2 PHE A 13 -12.314 1.408 -15.523 1.00 24.51 H new ATOM 0 HZ PHE A 13 -9.971 2.150 -15.155 1.00 72.34 H new ATOM 219 N GLU A 14 -13.981 -2.570 -12.788 1.00 15.22 N ATOM 220 CA GLU A 14 -15.107 -1.716 -12.406 1.00 35.55 C ATOM 221 C GLU A 14 -15.204 -1.622 -10.887 1.00 15.12 C ATOM 222 O GLU A 14 -15.274 -0.524 -10.338 1.00 0.15 O ATOM 223 CB GLU A 14 -16.429 -2.245 -12.987 1.00 35.31 C ATOM 224 CG GLU A 14 -16.511 -2.148 -14.515 1.00 62.20 C ATOM 225 CD GLU A 14 -16.301 -0.732 -15.058 1.00 51.21 C ATOM 226 OE1 GLU A 14 -16.725 0.250 -14.406 1.00 52.31 O ATOM 227 OE2 GLU A 14 -15.693 -0.611 -16.144 1.00 71.54 O ATOM 0 H GLU A 14 -14.232 -3.361 -13.381 1.00 15.22 H new ATOM 0 HA GLU A 14 -14.930 -0.722 -12.816 1.00 35.55 H new ATOM 0 HB2 GLU A 14 -16.556 -3.286 -12.690 1.00 35.31 H new ATOM 0 HB3 GLU A 14 -17.257 -1.686 -12.551 1.00 35.31 H new ATOM 0 HG2 GLU A 14 -15.763 -2.809 -14.952 1.00 62.20 H new ATOM 0 HG3 GLU A 14 -17.486 -2.511 -14.841 1.00 62.20 H new ATOM 234 N GLN A 15 -15.178 -2.777 -10.219 1.00 73.43 N ATOM 235 CA GLN A 15 -15.259 -2.881 -8.774 1.00 41.53 C ATOM 236 C GLN A 15 -14.102 -2.129 -8.114 1.00 12.14 C ATOM 237 O GLN A 15 -14.280 -1.509 -7.067 1.00 62.40 O ATOM 238 CB GLN A 15 -15.236 -4.369 -8.371 1.00 53.22 C ATOM 239 CG GLN A 15 -16.050 -4.649 -7.104 1.00 52.51 C ATOM 240 CD GLN A 15 -17.538 -4.667 -7.429 1.00 2.11 C ATOM 241 OE1 GLN A 15 -18.198 -3.634 -7.443 1.00 43.22 O ATOM 242 NE2 GLN A 15 -18.086 -5.825 -7.740 1.00 35.31 N ATOM 0 H GLN A 15 -15.098 -3.681 -10.684 1.00 73.43 H new ATOM 0 HA GLN A 15 -16.190 -2.429 -8.433 1.00 41.53 H new ATOM 0 HB2 GLN A 15 -15.629 -4.970 -9.191 1.00 53.22 H new ATOM 0 HB3 GLN A 15 -14.204 -4.683 -8.212 1.00 53.22 H new ATOM 0 HG2 GLN A 15 -15.752 -5.606 -6.676 1.00 52.51 H new ATOM 0 HG3 GLN A 15 -15.843 -3.886 -6.354 1.00 52.51 H new ATOM 0 HE21 GLN A 15 -17.524 -6.676 -7.724 1.00 35.31 H new ATOM 0 HE22 GLN A 15 -19.072 -5.870 -7.997 1.00 35.31 H new ATOM 251 N ARG A 16 -12.895 -2.217 -8.678 1.00 43.13 N ATOM 252 CA ARG A 16 -11.722 -1.550 -8.139 1.00 73.41 C ATOM 253 C ARG A 16 -11.882 -0.055 -8.232 1.00 20.22 C ATOM 254 O ARG A 16 -11.758 0.558 -7.180 1.00 44.34 O ATOM 255 CB ARG A 16 -10.447 -1.985 -8.844 1.00 13.35 C ATOM 256 CG ARG A 16 -9.854 -3.189 -8.122 1.00 35.34 C ATOM 257 CD ARG A 16 -8.574 -3.576 -8.841 1.00 51.31 C ATOM 258 NE ARG A 16 -8.851 -4.473 -9.970 1.00 13.42 N ATOM 259 CZ ARG A 16 -8.474 -4.301 -11.238 1.00 44.32 C ATOM 260 NH1 ARG A 16 -7.994 -3.144 -11.687 1.00 62.50 N ATOM 261 NH2 ARG A 16 -8.566 -5.338 -12.059 1.00 32.52 N ATOM 0 H ARG A 16 -12.710 -2.756 -9.524 1.00 43.13 H new ATOM 0 HA ARG A 16 -11.634 -1.839 -7.092 1.00 73.41 H new ATOM 0 HB2 ARG A 16 -10.661 -2.239 -9.882 1.00 13.35 H new ATOM 0 HB3 ARG A 16 -9.728 -1.165 -8.858 1.00 13.35 H new ATOM 0 HG2 ARG A 16 -9.648 -2.946 -7.079 1.00 35.34 H new ATOM 0 HG3 ARG A 16 -10.559 -4.020 -8.123 1.00 35.34 H new ATOM 0 HD2 ARG A 16 -8.070 -2.679 -9.201 1.00 51.31 H new ATOM 0 HD3 ARG A 16 -7.895 -4.065 -8.143 1.00 51.31 H new ATOM 0 HE ARG A 16 -9.388 -5.315 -9.763 1.00 13.42 H new ATOM 0 HH11 ARG A 16 -7.904 -2.349 -11.054 1.00 62.50 H new ATOM 0 HH12 ARG A 16 -7.716 -3.052 -12.664 1.00 62.50 H new ATOM 0 HH21 ARG A 16 -8.916 -6.232 -11.714 1.00 32.52 H new ATOM 0 HH22 ARG A 16 -8.286 -5.242 -13.035 1.00 32.52 H new ATOM 275 N VAL A 17 -12.202 0.494 -9.406 1.00 41.04 N ATOM 276 CA VAL A 17 -12.388 1.930 -9.584 1.00 52.42 C ATOM 277 C VAL A 17 -13.452 2.397 -8.567 1.00 54.02 C ATOM 278 O VAL A 17 -13.343 3.492 -8.022 1.00 64.33 O ATOM 279 CB VAL A 17 -12.787 2.231 -11.041 1.00 44.02 C ATOM 280 CG1 VAL A 17 -13.231 3.686 -11.252 1.00 33.25 C ATOM 281 CG2 VAL A 17 -11.603 1.977 -11.980 1.00 44.10 C ATOM 0 H VAL A 17 -12.339 -0.048 -10.259 1.00 41.04 H new ATOM 0 HA VAL A 17 -11.464 2.478 -9.398 1.00 52.42 H new ATOM 0 HB VAL A 17 -13.625 1.570 -11.262 1.00 44.02 H new ATOM 0 HG11 VAL A 17 -13.499 3.837 -12.298 1.00 33.25 H new ATOM 0 HG12 VAL A 17 -14.095 3.898 -10.622 1.00 33.25 H new ATOM 0 HG13 VAL A 17 -12.415 4.358 -10.987 1.00 33.25 H new ATOM 0 HG21 VAL A 17 -11.899 2.194 -13.006 1.00 44.10 H new ATOM 0 HG22 VAL A 17 -10.771 2.622 -11.699 1.00 44.10 H new ATOM 0 HG23 VAL A 17 -11.295 0.934 -11.904 1.00 44.10 H new ATOM 291 N GLU A 18 -14.464 1.569 -8.279 1.00 42.11 N ATOM 292 CA GLU A 18 -15.526 1.857 -7.323 1.00 74.24 C ATOM 293 C GLU A 18 -14.941 1.936 -5.908 1.00 21.21 C ATOM 294 O GLU A 18 -15.238 2.866 -5.175 1.00 71.04 O ATOM 295 CB GLU A 18 -16.597 0.753 -7.415 1.00 34.24 C ATOM 296 CG GLU A 18 -17.970 1.283 -7.835 1.00 60.04 C ATOM 297 CD GLU A 18 -18.786 1.794 -6.655 1.00 33.02 C ATOM 298 OE1 GLU A 18 -19.328 0.949 -5.905 1.00 55.32 O ATOM 299 OE2 GLU A 18 -19.030 3.019 -6.575 1.00 43.12 O ATOM 0 H GLU A 18 -14.564 0.655 -8.721 1.00 42.11 H new ATOM 0 HA GLU A 18 -15.988 2.817 -7.554 1.00 74.24 H new ATOM 0 HB2 GLU A 18 -16.271 -0.002 -8.130 1.00 34.24 H new ATOM 0 HB3 GLU A 18 -16.685 0.259 -6.447 1.00 34.24 H new ATOM 0 HG2 GLU A 18 -17.839 2.089 -8.558 1.00 60.04 H new ATOM 0 HG3 GLU A 18 -18.523 0.490 -8.338 1.00 60.04 H new ATOM 306 N ASP A 19 -14.097 0.987 -5.511 1.00 61.32 N ATOM 307 CA ASP A 19 -13.461 0.938 -4.192 1.00 15.42 C ATOM 308 C ASP A 19 -12.491 2.108 -4.004 1.00 23.32 C ATOM 309 O ASP A 19 -12.460 2.754 -2.963 1.00 64.04 O ATOM 310 CB ASP A 19 -12.762 -0.420 -4.048 1.00 54.13 C ATOM 311 CG ASP A 19 -11.977 -0.611 -2.749 1.00 62.23 C ATOM 312 OD1 ASP A 19 -12.550 -0.437 -1.650 1.00 2.13 O ATOM 313 OD2 ASP A 19 -10.813 -1.083 -2.830 1.00 73.40 O ATOM 0 H ASP A 19 -13.828 0.208 -6.112 1.00 61.32 H new ATOM 0 HA ASP A 19 -14.212 1.039 -3.408 1.00 15.42 H new ATOM 0 HB2 ASP A 19 -13.513 -1.207 -4.120 1.00 54.13 H new ATOM 0 HB3 ASP A 19 -12.081 -0.552 -4.889 1.00 54.13 H new ATOM 318 N VAL A 20 -11.696 2.431 -5.018 1.00 63.10 N ATOM 319 CA VAL A 20 -10.742 3.536 -4.945 1.00 1.41 C ATOM 320 C VAL A 20 -11.487 4.878 -4.877 1.00 24.35 C ATOM 321 O VAL A 20 -11.097 5.753 -4.091 1.00 74.23 O ATOM 322 CB VAL A 20 -9.721 3.429 -6.095 1.00 23.11 C ATOM 323 CG1 VAL A 20 -8.860 2.180 -5.934 1.00 74.13 C ATOM 324 CG2 VAL A 20 -10.321 3.468 -7.473 1.00 34.12 C ATOM 0 H VAL A 20 -11.693 1.938 -5.911 1.00 63.10 H new ATOM 0 HA VAL A 20 -10.160 3.477 -4.025 1.00 1.41 H new ATOM 0 HB VAL A 20 -9.105 4.325 -6.014 1.00 23.11 H new ATOM 0 HG11 VAL A 20 -8.146 2.122 -6.755 1.00 74.13 H new ATOM 0 HG12 VAL A 20 -8.322 2.229 -4.988 1.00 74.13 H new ATOM 0 HG13 VAL A 20 -9.497 1.295 -5.944 1.00 74.13 H new ATOM 0 HG21 VAL A 20 -9.529 3.387 -8.217 1.00 34.12 H new ATOM 0 HG22 VAL A 20 -11.016 2.637 -7.591 1.00 34.12 H new ATOM 0 HG23 VAL A 20 -10.854 4.409 -7.611 1.00 34.12 H new ATOM 334 N ARG A 21 -12.519 5.090 -5.700 1.00 34.12 N ATOM 335 CA ARG A 21 -13.268 6.343 -5.656 1.00 73.40 C ATOM 336 C ARG A 21 -14.053 6.418 -4.348 1.00 50.54 C ATOM 337 O ARG A 21 -14.073 7.480 -3.736 1.00 71.20 O ATOM 338 CB ARG A 21 -14.128 6.547 -6.916 1.00 45.30 C ATOM 339 CG ARG A 21 -15.320 5.598 -7.090 1.00 51.50 C ATOM 340 CD ARG A 21 -16.647 6.070 -6.481 1.00 45.11 C ATOM 341 NE ARG A 21 -17.396 6.882 -7.450 1.00 51.52 N ATOM 342 CZ ARG A 21 -18.406 6.468 -8.225 1.00 12.12 C ATOM 343 NH1 ARG A 21 -18.886 5.234 -8.147 1.00 4.53 N ATOM 344 NH2 ARG A 21 -18.938 7.291 -9.120 1.00 31.40 N ATOM 0 H ARG A 21 -12.849 4.419 -6.394 1.00 34.12 H new ATOM 0 HA ARG A 21 -12.573 7.183 -5.665 1.00 73.40 H new ATOM 0 HB2 ARG A 21 -14.504 7.570 -6.911 1.00 45.30 H new ATOM 0 HB3 ARG A 21 -13.483 6.449 -7.789 1.00 45.30 H new ATOM 0 HG2 ARG A 21 -15.472 5.428 -8.156 1.00 51.50 H new ATOM 0 HG3 ARG A 21 -15.061 4.636 -6.648 1.00 51.50 H new ATOM 0 HD2 ARG A 21 -17.243 5.208 -6.181 1.00 45.11 H new ATOM 0 HD3 ARG A 21 -16.454 6.653 -5.581 1.00 45.11 H new ATOM 0 HE ARG A 21 -17.118 7.859 -7.541 1.00 51.52 H new ATOM 0 HH11 ARG A 21 -18.485 4.572 -7.483 1.00 4.53 H new ATOM 0 HH12 ARG A 21 -19.657 4.947 -8.751 1.00 4.53 H new ATOM 0 HH21 ARG A 21 -18.577 8.240 -9.218 1.00 31.40 H new ATOM 0 HH22 ARG A 21 -19.708 6.974 -9.710 1.00 31.40 H new ATOM 358 N LEU A 22 -14.653 5.316 -3.878 1.00 43.23 N ATOM 359 CA LEU A 22 -15.409 5.286 -2.635 1.00 2.51 C ATOM 360 C LEU A 22 -14.482 5.689 -1.506 1.00 51.43 C ATOM 361 O LEU A 22 -14.816 6.597 -0.744 1.00 11.33 O ATOM 362 CB LEU A 22 -15.976 3.884 -2.355 1.00 0.35 C ATOM 363 CG LEU A 22 -17.351 3.630 -2.995 1.00 11.32 C ATOM 364 CD1 LEU A 22 -17.688 2.135 -2.943 1.00 53.23 C ATOM 365 CD2 LEU A 22 -18.447 4.404 -2.254 1.00 40.13 C ATOM 0 H LEU A 22 -14.622 4.417 -4.359 1.00 43.23 H new ATOM 0 HA LEU A 22 -16.250 5.975 -2.715 1.00 2.51 H new ATOM 0 HB2 LEU A 22 -15.272 3.138 -2.722 1.00 0.35 H new ATOM 0 HB3 LEU A 22 -16.056 3.744 -1.277 1.00 0.35 H new ATOM 0 HG LEU A 22 -17.306 3.968 -4.030 1.00 11.32 H new ATOM 0 HD11 LEU A 22 -18.664 1.966 -3.399 1.00 53.23 H new ATOM 0 HD12 LEU A 22 -16.930 1.572 -3.488 1.00 53.23 H new ATOM 0 HD13 LEU A 22 -17.710 1.803 -1.905 1.00 53.23 H new ATOM 0 HD21 LEU A 22 -19.411 4.209 -2.724 1.00 40.13 H new ATOM 0 HD22 LEU A 22 -18.479 4.082 -1.213 1.00 40.13 H new ATOM 0 HD23 LEU A 22 -18.231 5.472 -2.297 1.00 40.13 H new ATOM 377 N ILE A 23 -13.287 5.092 -1.430 1.00 3.22 N ATOM 378 CA ILE A 23 -12.365 5.450 -0.370 1.00 12.54 C ATOM 379 C ILE A 23 -11.978 6.923 -0.475 1.00 64.41 C ATOM 380 O ILE A 23 -11.815 7.560 0.559 1.00 12.15 O ATOM 381 CB ILE A 23 -11.227 4.426 -0.212 1.00 60.31 C ATOM 382 CG1 ILE A 23 -10.995 4.195 1.296 1.00 63.03 C ATOM 383 CG2 ILE A 23 -9.917 4.774 -0.939 1.00 42.40 C ATOM 384 CD1 ILE A 23 -10.419 2.813 1.550 1.00 43.10 C ATOM 0 H ILE A 23 -12.950 4.378 -2.076 1.00 3.22 H new ATOM 0 HA ILE A 23 -12.861 5.377 0.598 1.00 12.54 H new ATOM 0 HB ILE A 23 -11.551 3.511 -0.708 1.00 60.31 H new ATOM 0 HG12 ILE A 23 -10.315 4.954 1.684 1.00 63.03 H new ATOM 0 HG13 ILE A 23 -11.936 4.306 1.834 1.00 63.03 H new ATOM 0 HG21 ILE A 23 -9.183 3.988 -0.762 1.00 42.40 H new ATOM 0 HG22 ILE A 23 -10.106 4.860 -2.009 1.00 42.40 H new ATOM 0 HG23 ILE A 23 -9.532 5.721 -0.562 1.00 42.40 H new ATOM 0 HD11 ILE A 23 -10.264 2.674 2.620 1.00 43.10 H new ATOM 0 HD12 ILE A 23 -11.112 2.057 1.182 1.00 43.10 H new ATOM 0 HD13 ILE A 23 -9.466 2.715 1.030 1.00 43.10 H new ATOM 396 N ARG A 24 -11.862 7.504 -1.678 1.00 62.04 N ATOM 397 CA ARG A 24 -11.550 8.938 -1.782 1.00 31.44 C ATOM 398 C ARG A 24 -12.744 9.771 -1.311 1.00 62.42 C ATOM 399 O ARG A 24 -12.553 10.892 -0.870 1.00 1.22 O ATOM 400 CB ARG A 24 -11.310 9.384 -3.231 1.00 32.02 C ATOM 401 CG ARG A 24 -10.105 8.767 -3.934 1.00 42.10 C ATOM 402 CD ARG A 24 -8.963 9.756 -4.152 1.00 24.25 C ATOM 403 NE ARG A 24 -8.231 10.024 -2.897 1.00 64.34 N ATOM 404 CZ ARG A 24 -7.842 11.218 -2.427 1.00 63.13 C ATOM 405 NH1 ARG A 24 -7.961 12.325 -3.149 1.00 5.42 N ATOM 406 NH2 ARG A 24 -7.324 11.297 -1.212 1.00 3.41 N ATOM 0 H ARG A 24 -11.975 7.021 -2.569 1.00 62.04 H new ATOM 0 HA ARG A 24 -10.656 9.087 -1.177 1.00 31.44 H new ATOM 0 HB2 ARG A 24 -12.202 9.152 -3.813 1.00 32.02 H new ATOM 0 HB3 ARG A 24 -11.195 10.468 -3.241 1.00 32.02 H new ATOM 0 HG2 ARG A 24 -9.741 7.926 -3.345 1.00 42.10 H new ATOM 0 HG3 ARG A 24 -10.420 8.368 -4.898 1.00 42.10 H new ATOM 0 HD2 ARG A 24 -8.275 9.359 -4.898 1.00 24.25 H new ATOM 0 HD3 ARG A 24 -9.360 10.690 -4.549 1.00 24.25 H new ATOM 0 HE ARG A 24 -7.996 9.212 -2.326 1.00 64.34 H new ATOM 0 HH11 ARG A 24 -8.357 12.281 -4.088 1.00 5.42 H new ATOM 0 HH12 ARG A 24 -7.656 13.220 -2.765 1.00 5.42 H new ATOM 0 HH21 ARG A 24 -7.224 10.455 -0.644 1.00 3.41 H new ATOM 0 HH22 ARG A 24 -7.024 12.199 -0.843 1.00 3.41 H new ATOM 420 N GLU A 25 -13.968 9.267 -1.409 1.00 54.55 N ATOM 421 CA GLU A 25 -15.174 9.980 -1.022 1.00 72.14 C ATOM 422 C GLU A 25 -15.274 10.099 0.497 1.00 32.41 C ATOM 423 O GLU A 25 -15.515 11.196 1.013 1.00 33.20 O ATOM 424 CB GLU A 25 -16.374 9.288 -1.682 1.00 42.55 C ATOM 425 CG GLU A 25 -17.579 10.224 -1.797 1.00 54.33 C ATOM 426 CD GLU A 25 -18.350 9.959 -3.096 1.00 21.04 C ATOM 427 OE1 GLU A 25 -18.771 8.809 -3.351 1.00 14.30 O ATOM 428 OE2 GLU A 25 -18.551 10.929 -3.865 1.00 32.11 O ATOM 0 H GLU A 25 -14.151 8.330 -1.768 1.00 54.55 H new ATOM 0 HA GLU A 25 -15.153 11.010 -1.378 1.00 72.14 H new ATOM 0 HB2 GLU A 25 -16.090 8.937 -2.674 1.00 42.55 H new ATOM 0 HB3 GLU A 25 -16.651 8.409 -1.100 1.00 42.55 H new ATOM 0 HG2 GLU A 25 -18.239 10.082 -0.941 1.00 54.33 H new ATOM 0 HG3 GLU A 25 -17.244 11.261 -1.772 1.00 54.33 H new ATOM 435 N GLN A 26 -15.053 8.992 1.215 1.00 22.14 N ATOM 436 CA GLN A 26 -15.090 8.953 2.680 1.00 25.42 C ATOM 437 C GLN A 26 -13.771 9.449 3.278 1.00 42.54 C ATOM 438 O GLN A 26 -13.775 10.146 4.294 1.00 43.55 O ATOM 439 CB GLN A 26 -15.419 7.542 3.208 1.00 15.30 C ATOM 440 CG GLN A 26 -14.484 6.430 2.730 1.00 11.44 C ATOM 441 CD GLN A 26 -14.966 5.053 3.177 1.00 33.02 C ATOM 442 OE1 GLN A 26 -15.948 4.525 2.660 1.00 64.42 O ATOM 443 NE2 GLN A 26 -14.320 4.480 4.177 1.00 3.54 N ATOM 0 H GLN A 26 -14.841 8.089 0.790 1.00 22.14 H new ATOM 0 HA GLN A 26 -15.890 9.623 2.996 1.00 25.42 H new ATOM 0 HB2 GLN A 26 -15.400 7.566 4.298 1.00 15.30 H new ATOM 0 HB3 GLN A 26 -16.437 7.290 2.912 1.00 15.30 H new ATOM 0 HG2 GLN A 26 -14.415 6.456 1.642 1.00 11.44 H new ATOM 0 HG3 GLN A 26 -13.481 6.607 3.117 1.00 11.44 H new ATOM 0 HE21 GLN A 26 -13.508 4.939 4.589 1.00 3.54 H new ATOM 0 HE22 GLN A 26 -14.634 3.579 4.537 1.00 3.54 H new ATOM 452 N HIS A 27 -12.643 9.140 2.633 1.00 4.52 N ATOM 453 CA HIS A 27 -11.304 9.517 3.070 1.00 33.01 C ATOM 454 C HIS A 27 -10.545 10.291 1.974 1.00 61.44 C ATOM 455 O HIS A 27 -9.501 9.834 1.493 1.00 31.44 O ATOM 456 CB HIS A 27 -10.521 8.280 3.560 1.00 43.41 C ATOM 457 CG HIS A 27 -11.180 7.462 4.645 1.00 13.53 C ATOM 458 ND1 HIS A 27 -11.598 7.910 5.879 1.00 52.40 N ATOM 459 CD2 HIS A 27 -11.465 6.126 4.577 1.00 31.21 C ATOM 460 CE1 HIS A 27 -12.137 6.864 6.532 1.00 32.02 C ATOM 461 NE2 HIS A 27 -12.088 5.754 5.770 1.00 64.30 N ATOM 0 H HIS A 27 -12.641 8.604 1.765 1.00 4.52 H new ATOM 0 HA HIS A 27 -11.403 10.197 3.916 1.00 33.01 H new ATOM 0 HB2 HIS A 27 -10.337 7.630 2.705 1.00 43.41 H new ATOM 0 HB3 HIS A 27 -9.548 8.612 3.924 1.00 43.41 H new ATOM 0 HD1 HIS A 27 -11.514 8.863 6.234 1.00 52.40 H new ATOM 0 HD2 HIS A 27 -11.246 5.473 3.745 1.00 31.21 H new ATOM 0 HE1 HIS A 27 -12.551 6.908 7.528 1.00 32.02 H new ATOM 469 N PRO A 28 -10.994 11.502 1.589 1.00 25.21 N ATOM 470 CA PRO A 28 -10.328 12.325 0.578 1.00 74.43 C ATOM 471 C PRO A 28 -9.004 12.877 1.098 1.00 52.42 C ATOM 472 O PRO A 28 -8.308 13.564 0.360 1.00 44.32 O ATOM 473 CB PRO A 28 -11.289 13.472 0.252 1.00 43.24 C ATOM 474 CG PRO A 28 -12.165 13.579 1.492 1.00 30.34 C ATOM 475 CD PRO A 28 -12.186 12.168 2.068 1.00 4.22 C ATOM 0 HA PRO A 28 -10.096 11.732 -0.307 1.00 74.43 H new ATOM 0 HB2 PRO A 28 -10.752 14.401 0.061 1.00 43.24 H new ATOM 0 HB3 PRO A 28 -11.881 13.257 -0.638 1.00 43.24 H new ATOM 0 HG2 PRO A 28 -11.756 14.293 2.207 1.00 30.34 H new ATOM 0 HG3 PRO A 28 -13.169 13.920 1.240 1.00 30.34 H new ATOM 0 HD2 PRO A 28 -12.202 12.196 3.158 1.00 4.22 H new ATOM 0 HD3 PRO A 28 -13.081 11.634 1.750 1.00 4.22 H new ATOM 483 N THR A 29 -8.656 12.559 2.344 1.00 44.55 N ATOM 484 CA THR A 29 -7.472 12.960 3.069 1.00 34.14 C ATOM 485 C THR A 29 -6.464 11.803 3.197 1.00 4.43 C ATOM 486 O THR A 29 -5.450 11.920 3.901 1.00 72.02 O ATOM 487 CB THR A 29 -7.969 13.507 4.412 1.00 34.31 C ATOM 488 OG1 THR A 29 -8.748 12.560 5.124 1.00 31.44 O ATOM 489 CG2 THR A 29 -8.903 14.698 4.201 1.00 51.42 C ATOM 0 H THR A 29 -9.255 11.961 2.914 1.00 44.55 H new ATOM 0 HA THR A 29 -6.910 13.732 2.543 1.00 34.14 H new ATOM 0 HB THR A 29 -7.067 13.772 4.964 1.00 34.31 H new ATOM 0 HG1 THR A 29 -9.042 12.950 5.974 1.00 31.44 H new ATOM 0 HG21 THR A 29 -9.243 15.069 5.168 1.00 51.42 H new ATOM 0 HG22 THR A 29 -8.370 15.490 3.675 1.00 51.42 H new ATOM 0 HG23 THR A 29 -9.763 14.385 3.609 1.00 51.42 H new ATOM 497 N LYS A 30 -6.755 10.656 2.567 1.00 63.33 N ATOM 498 CA LYS A 30 -5.912 9.468 2.551 1.00 42.22 C ATOM 499 C LYS A 30 -5.668 9.098 1.102 1.00 71.23 C ATOM 500 O LYS A 30 -6.570 9.126 0.265 1.00 53.11 O ATOM 501 CB LYS A 30 -6.541 8.289 3.293 1.00 2.35 C ATOM 502 CG LYS A 30 -6.581 8.415 4.819 1.00 20.23 C ATOM 503 CD LYS A 30 -5.207 8.707 5.442 1.00 62.01 C ATOM 504 CE LYS A 30 -5.067 8.249 6.896 1.00 31.15 C ATOM 505 NZ LYS A 30 -6.133 8.790 7.774 1.00 40.43 N ATOM 0 H LYS A 30 -7.618 10.533 2.037 1.00 63.33 H new ATOM 0 HA LYS A 30 -4.979 9.693 3.068 1.00 42.22 H new ATOM 0 HB2 LYS A 30 -7.560 8.156 2.930 1.00 2.35 H new ATOM 0 HB3 LYS A 30 -5.990 7.384 3.035 1.00 2.35 H new ATOM 0 HG2 LYS A 30 -7.273 9.212 5.093 1.00 20.23 H new ATOM 0 HG3 LYS A 30 -6.975 7.491 5.243 1.00 20.23 H new ATOM 0 HD2 LYS A 30 -4.438 8.219 4.843 1.00 62.01 H new ATOM 0 HD3 LYS A 30 -5.018 9.779 5.391 1.00 62.01 H new ATOM 0 HE2 LYS A 30 -5.090 7.160 6.933 1.00 31.15 H new ATOM 0 HE3 LYS A 30 -4.095 8.560 7.278 1.00 31.15 H new ATOM 0 HZ1 LYS A 30 -5.961 8.490 8.755 1.00 40.43 H new ATOM 0 HZ2 LYS A 30 -6.130 9.829 7.724 1.00 40.43 H new ATOM 0 HZ3 LYS A 30 -7.057 8.431 7.460 1.00 40.43 H new ATOM 519 N ILE A 31 -4.445 8.693 0.820 1.00 3.02 N ATOM 520 CA ILE A 31 -3.964 8.317 -0.486 1.00 73.12 C ATOM 521 C ILE A 31 -3.988 6.786 -0.572 1.00 31.54 C ATOM 522 O ILE A 31 -3.310 6.137 0.232 1.00 63.52 O ATOM 523 CB ILE A 31 -2.549 8.909 -0.685 1.00 1.11 C ATOM 524 CG1 ILE A 31 -2.486 10.448 -0.505 1.00 45.24 C ATOM 525 CG2 ILE A 31 -2.007 8.536 -2.063 1.00 43.40 C ATOM 526 CD1 ILE A 31 -3.346 11.262 -1.483 1.00 32.34 C ATOM 0 H ILE A 31 -3.725 8.615 1.538 1.00 3.02 H new ATOM 0 HA ILE A 31 -4.591 8.710 -1.286 1.00 73.12 H new ATOM 0 HB ILE A 31 -1.930 8.473 0.099 1.00 1.11 H new ATOM 0 HG12 ILE A 31 -2.794 10.691 0.512 1.00 45.24 H new ATOM 0 HG13 ILE A 31 -1.449 10.767 -0.608 1.00 45.24 H new ATOM 0 HG21 ILE A 31 -1.011 8.959 -2.189 1.00 43.40 H new ATOM 0 HG22 ILE A 31 -1.954 7.451 -2.152 1.00 43.40 H new ATOM 0 HG23 ILE A 31 -2.669 8.931 -2.834 1.00 43.40 H new ATOM 0 HD11 ILE A 31 -3.230 12.325 -1.272 1.00 32.34 H new ATOM 0 HD12 ILE A 31 -3.026 11.058 -2.505 1.00 32.34 H new ATOM 0 HD13 ILE A 31 -4.393 10.981 -1.367 1.00 32.34 H new ATOM 538 N PRO A 32 -4.766 6.201 -1.503 1.00 44.32 N ATOM 539 CA PRO A 32 -4.859 4.762 -1.706 1.00 41.11 C ATOM 540 C PRO A 32 -3.620 4.232 -2.456 1.00 13.22 C ATOM 541 O PRO A 32 -3.435 4.449 -3.665 1.00 23.24 O ATOM 542 CB PRO A 32 -6.162 4.549 -2.479 1.00 71.41 C ATOM 543 CG PRO A 32 -6.386 5.851 -3.241 1.00 13.41 C ATOM 544 CD PRO A 32 -5.614 6.906 -2.458 1.00 64.42 C ATOM 0 HA PRO A 32 -4.876 4.206 -0.769 1.00 41.11 H new ATOM 0 HB2 PRO A 32 -6.083 3.702 -3.160 1.00 71.41 H new ATOM 0 HB3 PRO A 32 -6.992 4.339 -1.804 1.00 71.41 H new ATOM 0 HG2 PRO A 32 -6.022 5.776 -4.266 1.00 13.41 H new ATOM 0 HG3 PRO A 32 -7.446 6.098 -3.296 1.00 13.41 H new ATOM 0 HD2 PRO A 32 -5.011 7.518 -3.129 1.00 64.42 H new ATOM 0 HD3 PRO A 32 -6.298 7.579 -1.941 1.00 64.42 H new ATOM 552 N VAL A 33 -2.773 3.498 -1.735 1.00 72.30 N ATOM 553 CA VAL A 33 -1.557 2.902 -2.233 1.00 62.10 C ATOM 554 C VAL A 33 -1.636 1.374 -2.041 1.00 12.02 C ATOM 555 O VAL A 33 -2.293 0.887 -1.114 1.00 31.22 O ATOM 556 CB VAL A 33 -0.350 3.584 -1.545 1.00 53.32 C ATOM 557 CG1 VAL A 33 -0.449 5.111 -1.423 1.00 31.34 C ATOM 558 CG2 VAL A 33 -0.033 3.014 -0.159 1.00 0.31 C ATOM 0 H VAL A 33 -2.932 3.301 -0.747 1.00 72.30 H new ATOM 0 HA VAL A 33 -1.423 3.063 -3.303 1.00 62.10 H new ATOM 0 HB VAL A 33 0.463 3.352 -2.233 1.00 53.32 H new ATOM 0 HG11 VAL A 33 0.443 5.495 -0.928 1.00 31.34 H new ATOM 0 HG12 VAL A 33 -0.530 5.551 -2.417 1.00 31.34 H new ATOM 0 HG13 VAL A 33 -1.330 5.373 -0.837 1.00 31.34 H new ATOM 0 HG21 VAL A 33 0.824 3.539 0.263 1.00 0.31 H new ATOM 0 HG22 VAL A 33 -0.896 3.144 0.494 1.00 0.31 H new ATOM 0 HG23 VAL A 33 0.199 1.953 -0.246 1.00 0.31 H new ATOM 568 N ILE A 34 -0.980 0.617 -2.913 1.00 2.33 N ATOM 569 CA ILE A 34 -0.892 -0.838 -2.928 1.00 32.33 C ATOM 570 C ILE A 34 0.545 -1.164 -2.548 1.00 11.03 C ATOM 571 O ILE A 34 1.453 -0.527 -3.067 1.00 21.13 O ATOM 572 CB ILE A 34 -1.245 -1.374 -4.335 1.00 75.30 C ATOM 573 CG1 ILE A 34 -2.712 -1.102 -4.710 1.00 31.42 C ATOM 574 CG2 ILE A 34 -0.925 -2.866 -4.548 1.00 43.01 C ATOM 575 CD1 ILE A 34 -3.740 -1.721 -3.754 1.00 22.54 C ATOM 0 H ILE A 34 -0.458 1.035 -3.684 1.00 2.33 H new ATOM 0 HA ILE A 34 -1.592 -1.305 -2.235 1.00 32.33 H new ATOM 0 HB ILE A 34 -0.591 -0.812 -5.002 1.00 75.30 H new ATOM 0 HG12 ILE A 34 -2.871 -0.024 -4.745 1.00 31.42 H new ATOM 0 HG13 ILE A 34 -2.893 -1.484 -5.715 1.00 31.42 H new ATOM 0 HG21 ILE A 34 -1.204 -3.157 -5.561 1.00 43.01 H new ATOM 0 HG22 ILE A 34 0.142 -3.033 -4.404 1.00 43.01 H new ATOM 0 HG23 ILE A 34 -1.486 -3.465 -3.831 1.00 43.01 H new ATOM 0 HD11 ILE A 34 -4.746 -1.479 -4.095 1.00 22.54 H new ATOM 0 HD12 ILE A 34 -3.614 -2.804 -3.736 1.00 22.54 H new ATOM 0 HD13 ILE A 34 -3.591 -1.321 -2.751 1.00 22.54 H new ATOM 587 N ILE A 35 0.768 -2.112 -1.640 1.00 35.31 N ATOM 588 CA ILE A 35 2.098 -2.521 -1.205 1.00 34.45 C ATOM 589 C ILE A 35 2.139 -4.042 -1.328 1.00 71.50 C ATOM 590 O ILE A 35 1.404 -4.710 -0.601 1.00 60.24 O ATOM 591 CB ILE A 35 2.402 -2.017 0.231 1.00 74.44 C ATOM 592 CG1 ILE A 35 2.220 -0.486 0.328 1.00 20.15 C ATOM 593 CG2 ILE A 35 3.830 -2.433 0.636 1.00 21.33 C ATOM 594 CD1 ILE A 35 2.617 0.135 1.674 1.00 72.52 C ATOM 0 H ILE A 35 0.016 -2.625 -1.180 1.00 35.31 H new ATOM 0 HA ILE A 35 2.879 -2.078 -1.824 1.00 34.45 H new ATOM 0 HB ILE A 35 1.695 -2.474 0.923 1.00 74.44 H new ATOM 0 HG12 ILE A 35 2.809 -0.016 -0.459 1.00 20.15 H new ATOM 0 HG13 ILE A 35 1.175 -0.247 0.130 1.00 20.15 H new ATOM 0 HG21 ILE A 35 4.040 -2.078 1.645 1.00 21.33 H new ATOM 0 HG22 ILE A 35 3.914 -3.519 0.609 1.00 21.33 H new ATOM 0 HG23 ILE A 35 4.547 -1.997 -0.059 1.00 21.33 H new ATOM 0 HD11 ILE A 35 2.452 1.212 1.641 1.00 72.52 H new ATOM 0 HD12 ILE A 35 2.011 -0.300 2.468 1.00 72.52 H new ATOM 0 HD13 ILE A 35 3.670 -0.065 1.870 1.00 72.52 H new ATOM 606 N GLU A 36 2.959 -4.604 -2.223 1.00 55.44 N ATOM 607 CA GLU A 36 3.065 -6.058 -2.387 1.00 73.44 C ATOM 608 C GLU A 36 4.529 -6.510 -2.277 1.00 24.21 C ATOM 609 O GLU A 36 5.452 -5.845 -2.760 1.00 32.51 O ATOM 610 CB GLU A 36 2.366 -6.504 -3.689 1.00 71.13 C ATOM 611 CG GLU A 36 1.880 -7.967 -3.643 1.00 42.11 C ATOM 612 CD GLU A 36 0.869 -8.333 -4.747 1.00 12.33 C ATOM 613 OE1 GLU A 36 1.249 -8.411 -5.942 1.00 73.22 O ATOM 614 OE2 GLU A 36 -0.307 -8.620 -4.429 1.00 11.03 O ATOM 0 H GLU A 36 3.562 -4.070 -2.848 1.00 55.44 H new ATOM 0 HA GLU A 36 2.539 -6.560 -1.575 1.00 73.44 H new ATOM 0 HB2 GLU A 36 1.515 -5.850 -3.880 1.00 71.13 H new ATOM 0 HB3 GLU A 36 3.055 -6.382 -4.525 1.00 71.13 H new ATOM 0 HG2 GLU A 36 2.743 -8.627 -3.724 1.00 42.11 H new ATOM 0 HG3 GLU A 36 1.424 -8.156 -2.671 1.00 42.11 H new ATOM 621 N ARG A 37 4.755 -7.640 -1.607 1.00 71.11 N ATOM 622 CA ARG A 37 6.088 -8.206 -1.420 1.00 74.41 C ATOM 623 C ARG A 37 6.587 -8.667 -2.781 1.00 53.31 C ATOM 624 O ARG A 37 5.854 -9.406 -3.447 1.00 34.15 O ATOM 625 CB ARG A 37 5.992 -9.389 -0.444 1.00 75.13 C ATOM 626 CG ARG A 37 7.359 -10.045 -0.170 1.00 23.32 C ATOM 627 CD ARG A 37 7.277 -11.570 -0.028 1.00 75.34 C ATOM 628 NE ARG A 37 6.821 -12.191 -1.287 1.00 72.22 N ATOM 629 CZ ARG A 37 7.078 -13.440 -1.706 1.00 3.05 C ATOM 630 NH1 ARG A 37 7.838 -14.264 -0.991 1.00 4.41 N ATOM 631 NH2 ARG A 37 6.562 -13.868 -2.851 1.00 13.34 N ATOM 0 H ARG A 37 4.012 -8.191 -1.176 1.00 71.11 H new ATOM 0 HA ARG A 37 6.780 -7.473 -1.005 1.00 74.41 H new ATOM 0 HB2 ARG A 37 5.564 -9.045 0.497 1.00 75.13 H new ATOM 0 HB3 ARG A 37 5.310 -10.136 -0.850 1.00 75.13 H new ATOM 0 HG2 ARG A 37 8.043 -9.798 -0.982 1.00 23.32 H new ATOM 0 HG3 ARG A 37 7.781 -9.623 0.742 1.00 23.32 H new ATOM 0 HD2 ARG A 37 8.255 -11.967 0.245 1.00 75.34 H new ATOM 0 HD3 ARG A 37 6.591 -11.828 0.779 1.00 75.34 H new ATOM 0 HE ARG A 37 6.251 -11.611 -1.903 1.00 72.22 H new ATOM 0 HH11 ARG A 37 8.238 -13.951 -0.106 1.00 4.41 H new ATOM 0 HH12 ARG A 37 8.021 -15.209 -1.327 1.00 4.41 H new ATOM 0 HH21 ARG A 37 5.973 -13.249 -3.408 1.00 13.34 H new ATOM 0 HH22 ARG A 37 6.754 -14.816 -3.174 1.00 13.34 H new ATOM 645 N TYR A 38 7.796 -8.263 -3.183 1.00 20.35 N ATOM 646 CA TYR A 38 8.363 -8.655 -4.465 1.00 31.45 C ATOM 647 C TYR A 38 8.313 -10.179 -4.616 1.00 73.23 C ATOM 648 O TYR A 38 8.566 -10.926 -3.671 1.00 35.35 O ATOM 649 CB TYR A 38 9.794 -8.118 -4.620 1.00 4.14 C ATOM 650 CG TYR A 38 10.437 -8.525 -5.934 1.00 43.11 C ATOM 651 CD1 TYR A 38 9.845 -8.160 -7.158 1.00 21.35 C ATOM 652 CD2 TYR A 38 11.580 -9.344 -5.937 1.00 14.43 C ATOM 653 CE1 TYR A 38 10.354 -8.657 -8.371 1.00 61.24 C ATOM 654 CE2 TYR A 38 12.101 -9.833 -7.149 1.00 20.52 C ATOM 655 CZ TYR A 38 11.478 -9.512 -8.373 1.00 62.11 C ATOM 656 OH TYR A 38 11.971 -10.009 -9.542 1.00 71.24 O ATOM 0 H TYR A 38 8.402 -7.658 -2.628 1.00 20.35 H new ATOM 0 HA TYR A 38 7.766 -8.215 -5.264 1.00 31.45 H new ATOM 0 HB2 TYR A 38 9.778 -7.030 -4.550 1.00 4.14 H new ATOM 0 HB3 TYR A 38 10.405 -8.482 -3.794 1.00 4.14 H new ATOM 0 HD1 TYR A 38 8.995 -7.494 -7.165 1.00 21.35 H new ATOM 0 HD2 TYR A 38 12.061 -9.599 -5.004 1.00 14.43 H new ATOM 0 HE1 TYR A 38 9.884 -8.384 -9.304 1.00 61.24 H new ATOM 0 HE2 TYR A 38 12.982 -10.457 -7.142 1.00 20.52 H new ATOM 0 HH TYR A 38 12.747 -10.578 -9.354 1.00 71.24 H new ATOM 666 N LYS A 39 8.015 -10.660 -5.821 1.00 44.42 N ATOM 667 CA LYS A 39 7.914 -12.089 -6.132 1.00 35.24 C ATOM 668 C LYS A 39 9.203 -12.890 -5.933 1.00 40.34 C ATOM 669 O LYS A 39 9.167 -14.123 -5.897 1.00 62.21 O ATOM 670 CB LYS A 39 7.325 -12.253 -7.536 1.00 35.41 C ATOM 671 CG LYS A 39 8.123 -11.559 -8.655 1.00 60.41 C ATOM 672 CD LYS A 39 7.362 -11.564 -9.989 1.00 21.55 C ATOM 673 CE LYS A 39 7.137 -12.962 -10.577 1.00 24.11 C ATOM 674 NZ LYS A 39 8.402 -13.649 -10.894 1.00 60.53 N ATOM 0 H LYS A 39 7.833 -10.059 -6.625 1.00 44.42 H new ATOM 0 HA LYS A 39 7.241 -12.530 -5.397 1.00 35.24 H new ATOM 0 HB2 LYS A 39 7.256 -13.317 -7.764 1.00 35.41 H new ATOM 0 HB3 LYS A 39 6.308 -11.860 -7.537 1.00 35.41 H new ATOM 0 HG2 LYS A 39 8.338 -10.531 -8.364 1.00 60.41 H new ATOM 0 HG3 LYS A 39 9.082 -12.061 -8.782 1.00 60.41 H new ATOM 0 HD2 LYS A 39 6.395 -11.082 -9.845 1.00 21.55 H new ATOM 0 HD3 LYS A 39 7.913 -10.962 -10.712 1.00 21.55 H new ATOM 0 HE2 LYS A 39 6.568 -13.564 -9.869 1.00 24.11 H new ATOM 0 HE3 LYS A 39 6.535 -12.880 -11.482 1.00 24.11 H new ATOM 0 HZ1 LYS A 39 8.198 -14.545 -11.381 1.00 60.53 H new ATOM 0 HZ2 LYS A 39 8.981 -13.044 -11.511 1.00 60.53 H new ATOM 0 HZ3 LYS A 39 8.921 -13.844 -10.014 1.00 60.53 H new ATOM 688 N GLY A 40 10.342 -12.215 -5.853 1.00 35.41 N ATOM 689 CA GLY A 40 11.654 -12.821 -5.640 1.00 60.22 C ATOM 690 C GLY A 40 12.152 -12.629 -4.208 1.00 51.21 C ATOM 691 O GLY A 40 13.271 -13.036 -3.892 1.00 13.12 O ATOM 0 H GLY A 40 10.382 -11.199 -5.937 1.00 35.41 H new ATOM 0 HA2 GLY A 40 11.601 -13.886 -5.865 1.00 60.22 H new ATOM 0 HA3 GLY A 40 12.372 -12.384 -6.334 1.00 60.22 H new ATOM 695 N GLU A 41 11.365 -11.973 -3.354 1.00 35.12 N ATOM 696 CA GLU A 41 11.708 -11.725 -1.966 1.00 35.34 C ATOM 697 C GLU A 41 11.646 -13.061 -1.225 1.00 63.30 C ATOM 698 O GLU A 41 10.671 -13.805 -1.348 1.00 15.04 O ATOM 699 CB GLU A 41 10.735 -10.681 -1.408 1.00 23.43 C ATOM 700 CG GLU A 41 11.086 -10.172 -0.009 1.00 51.31 C ATOM 701 CD GLU A 41 12.592 -10.012 0.188 1.00 55.01 C ATOM 702 OE1 GLU A 41 13.148 -8.981 -0.227 1.00 40.00 O ATOM 703 OE2 GLU A 41 13.208 -10.980 0.685 1.00 53.03 O ATOM 0 H GLU A 41 10.456 -11.595 -3.620 1.00 35.12 H new ATOM 0 HA GLU A 41 12.715 -11.324 -1.847 1.00 35.34 H new ATOM 0 HB2 GLU A 41 10.701 -9.833 -2.092 1.00 23.43 H new ATOM 0 HB3 GLU A 41 9.734 -11.112 -1.384 1.00 23.43 H new ATOM 0 HG2 GLU A 41 10.596 -9.213 0.160 1.00 51.31 H new ATOM 0 HG3 GLU A 41 10.696 -10.865 0.736 1.00 51.31 H new ATOM 710 N LYS A 42 12.711 -13.410 -0.505 1.00 23.55 N ATOM 711 CA LYS A 42 12.821 -14.657 0.246 1.00 72.50 C ATOM 712 C LYS A 42 13.378 -14.447 1.652 1.00 35.51 C ATOM 713 O LYS A 42 13.295 -15.380 2.451 1.00 44.04 O ATOM 714 CB LYS A 42 13.685 -15.660 -0.545 1.00 3.02 C ATOM 715 CG LYS A 42 13.129 -16.023 -1.938 1.00 1.45 C ATOM 716 CD LYS A 42 11.885 -16.915 -1.904 1.00 62.33 C ATOM 717 CE LYS A 42 12.336 -18.366 -1.737 1.00 75.30 C ATOM 718 NZ LYS A 42 11.231 -19.246 -1.324 1.00 15.02 N ATOM 0 H LYS A 42 13.539 -12.820 -0.427 1.00 23.55 H new ATOM 0 HA LYS A 42 11.816 -15.061 0.372 1.00 72.50 H new ATOM 0 HB2 LYS A 42 14.685 -15.244 -0.664 1.00 3.02 H new ATOM 0 HB3 LYS A 42 13.787 -16.573 0.041 1.00 3.02 H new ATOM 0 HG2 LYS A 42 12.889 -15.104 -2.472 1.00 1.45 H new ATOM 0 HG3 LYS A 42 13.909 -16.528 -2.508 1.00 1.45 H new ATOM 0 HD2 LYS A 42 11.232 -16.624 -1.081 1.00 62.33 H new ATOM 0 HD3 LYS A 42 11.311 -16.800 -2.823 1.00 62.33 H new ATOM 0 HE2 LYS A 42 12.753 -18.726 -2.678 1.00 75.30 H new ATOM 0 HE3 LYS A 42 13.133 -18.414 -0.996 1.00 75.30 H new ATOM 0 HZ1 LYS A 42 11.582 -20.220 -1.223 1.00 15.02 H new ATOM 0 HZ2 LYS A 42 10.849 -18.919 -0.414 1.00 15.02 H new ATOM 0 HZ3 LYS A 42 10.480 -19.222 -2.043 1.00 15.02 H new ATOM 732 N GLN A 43 13.965 -13.286 1.960 1.00 4.13 N ATOM 733 CA GLN A 43 14.507 -12.986 3.273 1.00 2.22 C ATOM 734 C GLN A 43 13.499 -12.186 4.080 1.00 2.12 C ATOM 735 O GLN A 43 13.532 -12.304 5.306 1.00 72.51 O ATOM 736 CB GLN A 43 15.865 -12.264 3.227 1.00 3.25 C ATOM 737 CG GLN A 43 15.944 -11.000 2.361 1.00 55.12 C ATOM 738 CD GLN A 43 16.602 -11.192 0.988 1.00 14.33 C ATOM 739 OE1 GLN A 43 17.321 -10.317 0.524 1.00 35.25 O ATOM 740 NE2 GLN A 43 16.481 -12.327 0.318 1.00 74.32 N ATOM 0 H GLN A 43 14.074 -12.524 1.291 1.00 4.13 H new ATOM 0 HA GLN A 43 14.694 -13.942 3.761 1.00 2.22 H new ATOM 0 HB2 GLN A 43 16.143 -11.996 4.246 1.00 3.25 H new ATOM 0 HB3 GLN A 43 16.614 -12.970 2.868 1.00 3.25 H new ATOM 0 HG2 GLN A 43 14.935 -10.616 2.212 1.00 55.12 H new ATOM 0 HG3 GLN A 43 16.498 -10.237 2.908 1.00 55.12 H new ATOM 0 HE21 GLN A 43 15.888 -13.073 0.682 1.00 74.32 H new ATOM 0 HE22 GLN A 43 16.980 -12.455 -0.562 1.00 74.32 H new ATOM 749 N LEU A 44 12.643 -11.376 3.447 1.00 2.05 N ATOM 750 CA LEU A 44 11.664 -10.592 4.191 1.00 15.21 C ATOM 751 C LEU A 44 10.318 -11.308 4.265 1.00 55.44 C ATOM 752 O LEU A 44 9.964 -12.039 3.338 1.00 55.13 O ATOM 753 CB LEU A 44 11.422 -9.217 3.559 1.00 53.43 C ATOM 754 CG LEU A 44 12.488 -8.187 3.926 1.00 12.03 C ATOM 755 CD1 LEU A 44 12.268 -6.969 3.034 1.00 51.03 C ATOM 756 CD2 LEU A 44 12.388 -7.761 5.400 1.00 64.44 C ATOM 0 H LEU A 44 12.611 -11.250 2.435 1.00 2.05 H new ATOM 0 HA LEU A 44 12.085 -10.467 5.189 1.00 15.21 H new ATOM 0 HB2 LEU A 44 11.388 -9.324 2.475 1.00 53.43 H new ATOM 0 HB3 LEU A 44 10.446 -8.847 3.873 1.00 53.43 H new ATOM 0 HG LEU A 44 13.476 -8.624 3.780 1.00 12.03 H new ATOM 0 HD11 LEU A 44 13.013 -6.208 3.267 1.00 51.03 H new ATOM 0 HD12 LEU A 44 12.363 -7.262 1.988 1.00 51.03 H new ATOM 0 HD13 LEU A 44 11.271 -6.566 3.208 1.00 51.03 H new ATOM 0 HD21 LEU A 44 13.164 -7.028 5.620 1.00 64.44 H new ATOM 0 HD22 LEU A 44 11.409 -7.320 5.586 1.00 64.44 H new ATOM 0 HD23 LEU A 44 12.521 -8.633 6.041 1.00 64.44 H new ATOM 768 N PRO A 45 9.547 -11.057 5.334 1.00 33.11 N ATOM 769 CA PRO A 45 8.234 -11.644 5.517 1.00 51.04 C ATOM 770 C PRO A 45 7.199 -10.898 4.664 1.00 0.34 C ATOM 771 O PRO A 45 7.364 -9.711 4.349 1.00 2.23 O ATOM 772 CB PRO A 45 7.937 -11.492 7.008 1.00 71.42 C ATOM 773 CG PRO A 45 8.713 -10.244 7.417 1.00 52.10 C ATOM 774 CD PRO A 45 9.902 -10.216 6.467 1.00 64.12 C ATOM 0 HA PRO A 45 8.195 -12.688 5.207 1.00 51.04 H new ATOM 0 HB2 PRO A 45 6.869 -11.375 7.192 1.00 71.42 H new ATOM 0 HB3 PRO A 45 8.264 -12.367 7.571 1.00 71.42 H new ATOM 0 HG2 PRO A 45 8.103 -9.346 7.319 1.00 52.10 H new ATOM 0 HG3 PRO A 45 9.035 -10.298 8.457 1.00 52.10 H new ATOM 0 HD2 PRO A 45 10.115 -9.198 6.142 1.00 64.12 H new ATOM 0 HD3 PRO A 45 10.801 -10.588 6.959 1.00 64.12 H new ATOM 782 N VAL A 46 6.120 -11.585 4.292 1.00 71.32 N ATOM 783 CA VAL A 46 5.040 -11.008 3.502 1.00 60.44 C ATOM 784 C VAL A 46 4.128 -10.213 4.447 1.00 63.30 C ATOM 785 O VAL A 46 3.948 -10.590 5.610 1.00 24.54 O ATOM 786 CB VAL A 46 4.298 -12.125 2.736 1.00 13.03 C ATOM 787 CG1 VAL A 46 3.470 -13.039 3.645 1.00 20.24 C ATOM 788 CG2 VAL A 46 3.392 -11.557 1.634 1.00 71.50 C ATOM 0 H VAL A 46 5.972 -12.565 4.534 1.00 71.32 H new ATOM 0 HA VAL A 46 5.421 -10.321 2.746 1.00 60.44 H new ATOM 0 HB VAL A 46 5.087 -12.727 2.285 1.00 13.03 H new ATOM 0 HG11 VAL A 46 2.976 -13.801 3.042 1.00 20.24 H new ATOM 0 HG12 VAL A 46 4.125 -13.520 4.371 1.00 20.24 H new ATOM 0 HG13 VAL A 46 2.719 -12.448 4.169 1.00 20.24 H new ATOM 0 HG21 VAL A 46 2.888 -12.375 1.119 1.00 71.50 H new ATOM 0 HG22 VAL A 46 2.648 -10.896 2.079 1.00 71.50 H new ATOM 0 HG23 VAL A 46 3.995 -10.996 0.920 1.00 71.50 H new ATOM 798 N LEU A 47 3.555 -9.107 3.969 1.00 72.24 N ATOM 799 CA LEU A 47 2.659 -8.298 4.784 1.00 72.34 C ATOM 800 C LEU A 47 1.289 -8.968 4.860 1.00 35.44 C ATOM 801 O LEU A 47 0.870 -9.652 3.927 1.00 15.15 O ATOM 802 CB LEU A 47 2.513 -6.874 4.218 1.00 53.23 C ATOM 803 CG LEU A 47 3.087 -5.743 5.088 1.00 54.12 C ATOM 804 CD1 LEU A 47 2.624 -5.811 6.553 1.00 11.21 C ATOM 805 CD2 LEU A 47 4.612 -5.681 4.987 1.00 32.41 C ATOM 0 H LEU A 47 3.698 -8.755 3.022 1.00 72.24 H new ATOM 0 HA LEU A 47 3.088 -8.219 5.783 1.00 72.34 H new ATOM 0 HB2 LEU A 47 3.000 -6.840 3.244 1.00 53.23 H new ATOM 0 HB3 LEU A 47 1.454 -6.677 4.052 1.00 53.23 H new ATOM 0 HG LEU A 47 2.682 -4.815 4.685 1.00 54.12 H new ATOM 0 HD11 LEU A 47 3.064 -4.986 7.112 1.00 11.21 H new ATOM 0 HD12 LEU A 47 1.537 -5.739 6.595 1.00 11.21 H new ATOM 0 HD13 LEU A 47 2.942 -6.757 6.992 1.00 11.21 H new ATOM 0 HD21 LEU A 47 4.986 -4.871 5.614 1.00 32.41 H new ATOM 0 HD22 LEU A 47 5.038 -6.626 5.324 1.00 32.41 H new ATOM 0 HD23 LEU A 47 4.901 -5.501 3.951 1.00 32.41 H new ATOM 817 N ASP A 48 0.550 -8.669 5.930 1.00 55.40 N ATOM 818 CA ASP A 48 -0.782 -9.226 6.179 1.00 32.11 C ATOM 819 C ASP A 48 -1.850 -8.821 5.158 1.00 24.23 C ATOM 820 O ASP A 48 -2.852 -9.516 5.023 1.00 60.30 O ATOM 821 CB ASP A 48 -1.264 -8.765 7.556 1.00 73.02 C ATOM 822 CG ASP A 48 -2.536 -9.500 7.972 1.00 31.01 C ATOM 823 OD1 ASP A 48 -2.436 -10.681 8.360 1.00 21.01 O ATOM 824 OD2 ASP A 48 -3.616 -8.867 8.029 1.00 12.43 O ATOM 0 H ASP A 48 0.863 -8.026 6.657 1.00 55.40 H new ATOM 0 HA ASP A 48 -0.664 -10.307 6.106 1.00 32.11 H new ATOM 0 HB2 ASP A 48 -0.482 -8.940 8.295 1.00 73.02 H new ATOM 0 HB3 ASP A 48 -1.451 -7.691 7.538 1.00 73.02 H new ATOM 829 N LYS A 49 -1.691 -7.676 4.489 1.00 23.15 N ATOM 830 CA LYS A 49 -2.637 -7.165 3.496 1.00 4.41 C ATOM 831 C LYS A 49 -1.883 -6.438 2.384 1.00 74.43 C ATOM 832 O LYS A 49 -0.655 -6.319 2.459 1.00 63.22 O ATOM 833 CB LYS A 49 -3.729 -6.314 4.174 1.00 15.45 C ATOM 834 CG LYS A 49 -3.235 -4.990 4.794 1.00 43.34 C ATOM 835 CD LYS A 49 -3.557 -4.868 6.293 1.00 41.24 C ATOM 836 CE LYS A 49 -5.047 -4.951 6.661 1.00 51.50 C ATOM 837 NZ LYS A 49 -5.966 -4.118 5.852 1.00 34.42 N ATOM 0 H LYS A 49 -0.885 -7.067 4.626 1.00 23.15 H new ATOM 0 HA LYS A 49 -3.163 -7.993 3.020 1.00 4.41 H new ATOM 0 HB2 LYS A 49 -4.500 -6.087 3.438 1.00 15.45 H new ATOM 0 HB3 LYS A 49 -4.200 -6.910 4.956 1.00 15.45 H new ATOM 0 HG2 LYS A 49 -2.157 -4.909 4.652 1.00 43.34 H new ATOM 0 HG3 LYS A 49 -3.690 -4.155 4.262 1.00 43.34 H new ATOM 0 HD2 LYS A 49 -3.025 -5.656 6.826 1.00 41.24 H new ATOM 0 HD3 LYS A 49 -3.164 -3.918 6.655 1.00 41.24 H new ATOM 0 HE2 LYS A 49 -5.363 -5.991 6.578 1.00 51.50 H new ATOM 0 HE3 LYS A 49 -5.158 -4.667 7.707 1.00 51.50 H new ATOM 0 HZ1 LYS A 49 -6.307 -3.320 6.425 1.00 34.42 H new ATOM 0 HZ2 LYS A 49 -5.462 -3.755 5.018 1.00 34.42 H new ATOM 0 HZ3 LYS A 49 -6.775 -4.694 5.543 1.00 34.42 H new ATOM 851 N THR A 50 -2.603 -5.909 1.400 1.00 14.13 N ATOM 852 CA THR A 50 -2.019 -5.216 0.257 1.00 4.13 C ATOM 853 C THR A 50 -2.479 -3.757 0.120 1.00 35.11 C ATOM 854 O THR A 50 -1.714 -2.950 -0.404 1.00 44.24 O ATOM 855 CB THR A 50 -2.302 -6.027 -1.031 1.00 54.01 C ATOM 856 OG1 THR A 50 -2.419 -7.421 -0.798 1.00 73.10 O ATOM 857 CG2 THR A 50 -1.182 -5.881 -2.062 1.00 72.52 C ATOM 0 H THR A 50 -3.622 -5.950 1.374 1.00 14.13 H new ATOM 0 HA THR A 50 -0.944 -5.156 0.425 1.00 4.13 H new ATOM 0 HB THR A 50 -3.244 -5.616 -1.395 1.00 54.01 H new ATOM 0 HG1 THR A 50 -2.599 -7.880 -1.645 1.00 73.10 H new ATOM 0 HG21 THR A 50 -1.425 -6.467 -2.948 1.00 72.52 H new ATOM 0 HG22 THR A 50 -1.077 -4.832 -2.339 1.00 72.52 H new ATOM 0 HG23 THR A 50 -0.245 -6.240 -1.635 1.00 72.52 H new ATOM 865 N LYS A 51 -3.689 -3.387 0.566 1.00 71.34 N ATOM 866 CA LYS A 51 -4.199 -2.013 0.441 1.00 32.45 C ATOM 867 C LYS A 51 -3.819 -1.141 1.657 1.00 4.33 C ATOM 868 O LYS A 51 -4.091 -1.489 2.809 1.00 63.40 O ATOM 869 CB LYS A 51 -5.715 -2.052 0.147 1.00 74.44 C ATOM 870 CG LYS A 51 -6.095 -2.929 -1.065 1.00 42.33 C ATOM 871 CD LYS A 51 -7.516 -2.725 -1.618 1.00 21.22 C ATOM 872 CE LYS A 51 -8.634 -2.985 -0.608 1.00 34.03 C ATOM 873 NZ LYS A 51 -9.953 -3.124 -1.269 1.00 0.12 N ATOM 0 H LYS A 51 -4.339 -4.028 1.021 1.00 71.34 H new ATOM 0 HA LYS A 51 -3.717 -1.524 -0.405 1.00 32.45 H new ATOM 0 HB2 LYS A 51 -6.237 -2.423 1.029 1.00 74.44 H new ATOM 0 HB3 LYS A 51 -6.067 -1.035 -0.028 1.00 74.44 H new ATOM 0 HG2 LYS A 51 -5.382 -2.737 -1.867 1.00 42.33 H new ATOM 0 HG3 LYS A 51 -5.982 -3.976 -0.782 1.00 42.33 H new ATOM 0 HD2 LYS A 51 -7.606 -1.703 -1.985 1.00 21.22 H new ATOM 0 HD3 LYS A 51 -7.657 -3.384 -2.474 1.00 21.22 H new ATOM 0 HE2 LYS A 51 -8.412 -3.892 -0.046 1.00 34.03 H new ATOM 0 HE3 LYS A 51 -8.672 -2.166 0.110 1.00 34.03 H new ATOM 0 HZ1 LYS A 51 -10.670 -3.383 -0.562 1.00 0.12 H new ATOM 0 HZ2 LYS A 51 -10.215 -2.221 -1.714 1.00 0.12 H new ATOM 0 HZ3 LYS A 51 -9.900 -3.866 -1.996 1.00 0.12 H new ATOM 887 N PHE A 52 -3.198 0.018 1.434 1.00 42.44 N ATOM 888 CA PHE A 52 -2.768 0.946 2.481 1.00 24.45 C ATOM 889 C PHE A 52 -3.331 2.343 2.203 1.00 4.23 C ATOM 890 O PHE A 52 -3.601 2.709 1.060 1.00 20.41 O ATOM 891 CB PHE A 52 -1.227 0.964 2.580 1.00 14.24 C ATOM 892 CG PHE A 52 -0.596 -0.228 3.281 1.00 31.51 C ATOM 893 CD1 PHE A 52 -0.676 -1.520 2.726 1.00 23.15 C ATOM 894 CD2 PHE A 52 0.083 -0.049 4.501 1.00 13.42 C ATOM 895 CE1 PHE A 52 -0.174 -2.627 3.430 1.00 34.33 C ATOM 896 CE2 PHE A 52 0.611 -1.155 5.191 1.00 15.01 C ATOM 897 CZ PHE A 52 0.456 -2.450 4.672 1.00 22.34 C ATOM 0 H PHE A 52 -2.974 0.346 0.495 1.00 42.44 H new ATOM 0 HA PHE A 52 -3.157 0.611 3.443 1.00 24.45 H new ATOM 0 HB2 PHE A 52 -0.818 1.027 1.572 1.00 14.24 H new ATOM 0 HB3 PHE A 52 -0.926 1.871 3.104 1.00 14.24 H new ATOM 0 HD1 PHE A 52 -1.126 -1.660 1.754 1.00 23.15 H new ATOM 0 HD2 PHE A 52 0.199 0.944 4.910 1.00 13.42 H new ATOM 0 HE1 PHE A 52 -0.273 -3.619 3.014 1.00 34.33 H new ATOM 0 HE2 PHE A 52 1.137 -1.008 6.123 1.00 15.01 H new ATOM 0 HZ PHE A 52 0.819 -3.304 5.224 1.00 22.34 H new ATOM 907 N LEU A 53 -3.489 3.140 3.262 1.00 0.24 N ATOM 908 CA LEU A 53 -4.004 4.508 3.236 1.00 12.22 C ATOM 909 C LEU A 53 -2.986 5.386 3.953 1.00 20.32 C ATOM 910 O LEU A 53 -2.887 5.379 5.188 1.00 53.52 O ATOM 911 CB LEU A 53 -5.392 4.592 3.892 1.00 3.12 C ATOM 912 CG LEU A 53 -6.542 4.098 3.006 1.00 34.45 C ATOM 913 CD1 LEU A 53 -7.775 3.926 3.895 1.00 71.40 C ATOM 914 CD2 LEU A 53 -6.903 4.976 1.806 1.00 55.52 C ATOM 0 H LEU A 53 -3.250 2.833 4.205 1.00 0.24 H new ATOM 0 HA LEU A 53 -4.136 4.850 2.209 1.00 12.22 H new ATOM 0 HB2 LEU A 53 -5.382 4.008 4.812 1.00 3.12 H new ATOM 0 HB3 LEU A 53 -5.585 5.627 4.174 1.00 3.12 H new ATOM 0 HG LEU A 53 -6.195 3.166 2.560 1.00 34.45 H new ATOM 0 HD11 LEU A 53 -8.612 3.575 3.292 1.00 71.40 H new ATOM 0 HD12 LEU A 53 -7.561 3.198 4.678 1.00 71.40 H new ATOM 0 HD13 LEU A 53 -8.032 4.883 4.350 1.00 71.40 H new ATOM 0 HD21 LEU A 53 -7.729 4.522 1.258 1.00 55.52 H new ATOM 0 HD22 LEU A 53 -7.199 5.965 2.155 1.00 55.52 H new ATOM 0 HD23 LEU A 53 -6.038 5.067 1.149 1.00 55.52 H new ATOM 926 N VAL A 54 -2.215 6.125 3.165 1.00 13.33 N ATOM 927 CA VAL A 54 -1.166 7.021 3.637 1.00 53.01 C ATOM 928 C VAL A 54 -1.753 8.432 3.576 1.00 25.53 C ATOM 929 O VAL A 54 -2.309 8.787 2.545 1.00 71.23 O ATOM 930 CB VAL A 54 0.074 6.881 2.716 1.00 1.24 C ATOM 931 CG1 VAL A 54 1.322 7.519 3.324 1.00 24.43 C ATOM 932 CG2 VAL A 54 0.392 5.423 2.351 1.00 15.32 C ATOM 0 H VAL A 54 -2.305 6.117 2.149 1.00 13.33 H new ATOM 0 HA VAL A 54 -0.844 6.790 4.652 1.00 53.01 H new ATOM 0 HB VAL A 54 -0.197 7.414 1.805 1.00 1.24 H new ATOM 0 HG11 VAL A 54 2.163 7.395 2.642 1.00 24.43 H new ATOM 0 HG12 VAL A 54 1.143 8.581 3.490 1.00 24.43 H new ATOM 0 HG13 VAL A 54 1.551 7.037 4.274 1.00 24.43 H new ATOM 0 HG21 VAL A 54 1.270 5.393 1.705 1.00 15.32 H new ATOM 0 HG22 VAL A 54 0.591 4.855 3.260 1.00 15.32 H new ATOM 0 HG23 VAL A 54 -0.458 4.985 1.828 1.00 15.32 H new ATOM 942 N PRO A 55 -1.741 9.225 4.656 1.00 53.00 N ATOM 943 CA PRO A 55 -2.287 10.575 4.604 1.00 21.32 C ATOM 944 C PRO A 55 -1.455 11.419 3.630 1.00 72.22 C ATOM 945 O PRO A 55 -0.245 11.263 3.545 1.00 32.45 O ATOM 946 CB PRO A 55 -2.260 11.080 6.042 1.00 12.53 C ATOM 947 CG PRO A 55 -1.169 10.251 6.718 1.00 12.22 C ATOM 948 CD PRO A 55 -1.146 8.939 5.945 1.00 44.54 C ATOM 0 HA PRO A 55 -3.309 10.624 4.228 1.00 21.32 H new ATOM 0 HB2 PRO A 55 -2.033 12.145 6.084 1.00 12.53 H new ATOM 0 HB3 PRO A 55 -3.225 10.940 6.530 1.00 12.53 H new ATOM 0 HG2 PRO A 55 -0.203 10.755 6.672 1.00 12.22 H new ATOM 0 HG3 PRO A 55 -1.393 10.086 7.772 1.00 12.22 H new ATOM 0 HD2 PRO A 55 -0.126 8.571 5.831 1.00 44.54 H new ATOM 0 HD3 PRO A 55 -1.707 8.166 6.471 1.00 44.54 H new ATOM 956 N ASP A 56 -2.095 12.364 2.946 1.00 33.32 N ATOM 957 CA ASP A 56 -1.436 13.243 1.976 1.00 13.23 C ATOM 958 C ASP A 56 -0.342 14.126 2.546 1.00 44.13 C ATOM 959 O ASP A 56 0.493 14.604 1.772 1.00 42.32 O ATOM 960 CB ASP A 56 -2.449 14.149 1.286 1.00 54.21 C ATOM 961 CG ASP A 56 -3.371 14.893 2.275 1.00 61.22 C ATOM 962 OD1 ASP A 56 -2.934 15.781 3.042 1.00 23.43 O ATOM 963 OD2 ASP A 56 -4.560 14.498 2.353 1.00 22.21 O ATOM 0 H ASP A 56 -3.094 12.545 3.048 1.00 33.32 H new ATOM 0 HA ASP A 56 -0.965 12.553 1.276 1.00 13.23 H new ATOM 0 HB2 ASP A 56 -1.917 14.879 0.675 1.00 54.21 H new ATOM 0 HB3 ASP A 56 -3.060 13.551 0.609 1.00 54.21 H new ATOM 968 N HIS A 57 -0.305 14.330 3.864 1.00 21.25 N ATOM 969 CA HIS A 57 0.672 15.195 4.494 1.00 52.33 C ATOM 970 C HIS A 57 1.992 14.506 4.866 1.00 53.01 C ATOM 971 O HIS A 57 2.938 15.230 5.179 1.00 3.42 O ATOM 972 CB HIS A 57 0.030 15.885 5.705 1.00 2.30 C ATOM 973 CG HIS A 57 -0.294 14.984 6.874 1.00 2.12 C ATOM 974 ND1 HIS A 57 -1.544 14.523 7.233 1.00 52.45 N ATOM 975 CD2 HIS A 57 0.595 14.538 7.815 1.00 64.42 C ATOM 976 CE1 HIS A 57 -1.397 13.789 8.349 1.00 72.44 C ATOM 977 NE2 HIS A 57 -0.114 13.758 8.731 1.00 72.03 N ATOM 0 H HIS A 57 -0.956 13.896 4.518 1.00 21.25 H new ATOM 0 HA HIS A 57 0.962 15.938 3.751 1.00 52.33 H new ATOM 0 HB2 HIS A 57 0.701 16.671 6.051 1.00 2.30 H new ATOM 0 HB3 HIS A 57 -0.889 16.371 5.378 1.00 2.30 H new ATOM 0 HD2 HIS A 57 1.653 14.751 7.844 1.00 64.42 H new ATOM 0 HE1 HIS A 57 -2.204 13.292 8.867 1.00 72.44 H new ATOM 0 HE2 HIS A 57 0.271 13.261 9.535 1.00 72.03 H new ATOM 985 N VAL A 58 2.094 13.167 4.872 1.00 2.44 N ATOM 986 CA VAL A 58 3.348 12.511 5.252 1.00 25.42 C ATOM 987 C VAL A 58 4.252 12.198 4.055 1.00 10.25 C ATOM 988 O VAL A 58 3.842 12.124 2.894 1.00 32.21 O ATOM 989 CB VAL A 58 3.130 11.292 6.173 1.00 43.01 C ATOM 990 CG1 VAL A 58 2.455 11.692 7.488 1.00 61.30 C ATOM 991 CG2 VAL A 58 2.338 10.174 5.496 1.00 42.22 C ATOM 0 H VAL A 58 1.337 12.531 4.623 1.00 2.44 H new ATOM 0 HA VAL A 58 3.894 13.244 5.847 1.00 25.42 H new ATOM 0 HB VAL A 58 4.124 10.903 6.393 1.00 43.01 H new ATOM 0 HG11 VAL A 58 2.318 10.808 8.110 1.00 61.30 H new ATOM 0 HG12 VAL A 58 3.081 12.412 8.014 1.00 61.30 H new ATOM 0 HG13 VAL A 58 1.484 12.141 7.277 1.00 61.30 H new ATOM 0 HG21 VAL A 58 2.215 9.343 6.191 1.00 42.22 H new ATOM 0 HG22 VAL A 58 1.358 10.549 5.202 1.00 42.22 H new ATOM 0 HG23 VAL A 58 2.875 9.831 4.612 1.00 42.22 H new ATOM 1001 N ASN A 59 5.514 11.978 4.403 1.00 45.44 N ATOM 1002 CA ASN A 59 6.653 11.672 3.555 1.00 31.44 C ATOM 1003 C ASN A 59 7.035 10.198 3.636 1.00 4.12 C ATOM 1004 O ASN A 59 6.702 9.482 4.591 1.00 41.12 O ATOM 1005 CB ASN A 59 7.834 12.552 4.009 1.00 52.23 C ATOM 1006 CG ASN A 59 7.986 12.565 5.531 1.00 24.11 C ATOM 1007 OD1 ASN A 59 7.389 13.364 6.247 1.00 64.21 O ATOM 1008 ND2 ASN A 59 8.663 11.590 6.099 1.00 62.32 N ATOM 0 H ASN A 59 5.789 12.014 5.385 1.00 45.44 H new ATOM 0 HA ASN A 59 6.394 11.878 2.517 1.00 31.44 H new ATOM 0 HB2 ASN A 59 8.755 12.185 3.556 1.00 52.23 H new ATOM 0 HB3 ASN A 59 7.686 13.571 3.651 1.00 52.23 H new ATOM 0 HD21 ASN A 59 8.685 11.509 7.116 1.00 62.32 H new ATOM 0 HD22 ASN A 59 9.166 10.915 5.523 1.00 62.32 H new ATOM 1015 N MET A 60 7.867 9.784 2.679 1.00 11.42 N ATOM 1016 CA MET A 60 8.334 8.412 2.585 1.00 72.24 C ATOM 1017 C MET A 60 9.062 7.938 3.831 1.00 4.01 C ATOM 1018 O MET A 60 8.877 6.784 4.204 1.00 21.35 O ATOM 1019 CB MET A 60 9.269 8.201 1.381 1.00 72.51 C ATOM 1020 CG MET A 60 8.567 7.993 0.046 1.00 13.43 C ATOM 1021 SD MET A 60 9.469 6.938 -1.113 1.00 44.44 S ATOM 1022 CE MET A 60 9.038 5.320 -0.430 1.00 51.02 C ATOM 0 H MET A 60 8.233 10.396 1.950 1.00 11.42 H new ATOM 0 HA MET A 60 7.425 7.823 2.463 1.00 72.24 H new ATOM 0 HB2 MET A 60 9.928 9.065 1.297 1.00 72.51 H new ATOM 0 HB3 MET A 60 9.902 7.336 1.580 1.00 72.51 H new ATOM 0 HG2 MET A 60 7.586 7.555 0.229 1.00 13.43 H new ATOM 0 HG3 MET A 60 8.401 8.965 -0.419 1.00 13.43 H new ATOM 0 HE1 MET A 60 9.633 4.549 -0.919 1.00 51.02 H new ATOM 0 HE2 MET A 60 9.241 5.311 0.641 1.00 51.02 H new ATOM 0 HE3 MET A 60 7.979 5.124 -0.600 1.00 51.02 H new ATOM 1032 N SER A 61 9.830 8.794 4.514 1.00 74.44 N ATOM 1033 CA SER A 61 10.570 8.411 5.716 1.00 22.22 C ATOM 1034 C SER A 61 9.585 7.766 6.705 1.00 64.40 C ATOM 1035 O SER A 61 9.871 6.705 7.257 1.00 64.34 O ATOM 1036 CB SER A 61 11.341 9.637 6.252 1.00 33.12 C ATOM 1037 OG SER A 61 12.260 9.366 7.288 1.00 74.44 O ATOM 0 H SER A 61 9.954 9.771 4.247 1.00 74.44 H new ATOM 0 HA SER A 61 11.334 7.660 5.517 1.00 22.22 H new ATOM 0 HB2 SER A 61 11.878 10.098 5.423 1.00 33.12 H new ATOM 0 HB3 SER A 61 10.619 10.371 6.612 1.00 33.12 H new ATOM 0 HG SER A 61 12.700 10.198 7.561 1.00 74.44 H new ATOM 1043 N GLU A 62 8.407 8.373 6.877 1.00 41.20 N ATOM 1044 CA GLU A 62 7.349 7.898 7.749 1.00 54.20 C ATOM 1045 C GLU A 62 6.704 6.642 7.179 1.00 23.42 C ATOM 1046 O GLU A 62 6.536 5.676 7.919 1.00 2.22 O ATOM 1047 CB GLU A 62 6.298 8.997 7.948 1.00 3.04 C ATOM 1048 CG GLU A 62 6.870 10.202 8.684 1.00 31.25 C ATOM 1049 CD GLU A 62 7.135 9.897 10.166 1.00 73.51 C ATOM 1050 OE1 GLU A 62 8.193 9.292 10.455 1.00 63.13 O ATOM 1051 OE2 GLU A 62 6.275 10.236 11.015 1.00 61.53 O ATOM 0 H GLU A 62 8.164 9.237 6.393 1.00 41.20 H new ATOM 0 HA GLU A 62 7.784 7.647 8.717 1.00 54.20 H new ATOM 0 HB2 GLU A 62 5.914 9.313 6.978 1.00 3.04 H new ATOM 0 HB3 GLU A 62 5.454 8.595 8.509 1.00 3.04 H new ATOM 0 HG2 GLU A 62 7.799 10.512 8.206 1.00 31.25 H new ATOM 0 HG3 GLU A 62 6.176 11.039 8.604 1.00 31.25 H new ATOM 1058 N LEU A 63 6.344 6.624 5.881 1.00 60.22 N ATOM 1059 CA LEU A 63 5.715 5.428 5.289 1.00 51.12 C ATOM 1060 C LEU A 63 6.613 4.217 5.547 1.00 13.12 C ATOM 1061 O LEU A 63 6.151 3.196 6.058 1.00 34.34 O ATOM 1062 CB LEU A 63 5.419 5.649 3.786 1.00 3.15 C ATOM 1063 CG LEU A 63 4.900 4.453 2.947 1.00 43.33 C ATOM 1064 CD1 LEU A 63 5.917 3.341 2.664 1.00 23.45 C ATOM 1065 CD2 LEU A 63 3.624 3.850 3.528 1.00 35.55 C ATOM 0 H LEU A 63 6.474 7.403 5.236 1.00 60.22 H new ATOM 0 HA LEU A 63 4.750 5.238 5.760 1.00 51.12 H new ATOM 0 HB2 LEU A 63 4.685 6.451 3.708 1.00 3.15 H new ATOM 0 HB3 LEU A 63 6.335 6.009 3.318 1.00 3.15 H new ATOM 0 HG LEU A 63 4.688 4.910 1.981 1.00 43.33 H new ATOM 0 HD11 LEU A 63 5.444 2.558 2.071 1.00 23.45 H new ATOM 0 HD12 LEU A 63 6.763 3.753 2.113 1.00 23.45 H new ATOM 0 HD13 LEU A 63 6.268 2.920 3.606 1.00 23.45 H new ATOM 0 HD21 LEU A 63 3.300 3.016 2.906 1.00 35.55 H new ATOM 0 HD22 LEU A 63 3.818 3.494 4.540 1.00 35.55 H new ATOM 0 HD23 LEU A 63 2.842 4.609 3.554 1.00 35.55 H new ATOM 1077 N ILE A 64 7.895 4.348 5.214 1.00 23.54 N ATOM 1078 CA ILE A 64 8.921 3.328 5.385 1.00 62.31 C ATOM 1079 C ILE A 64 8.958 2.944 6.872 1.00 72.20 C ATOM 1080 O ILE A 64 8.875 1.765 7.220 1.00 52.14 O ATOM 1081 CB ILE A 64 10.263 3.877 4.828 1.00 12.25 C ATOM 1082 CG1 ILE A 64 10.196 4.064 3.289 1.00 20.14 C ATOM 1083 CG2 ILE A 64 11.447 2.956 5.150 1.00 14.02 C ATOM 1084 CD1 ILE A 64 11.357 4.897 2.726 1.00 41.30 C ATOM 0 H ILE A 64 8.260 5.206 4.800 1.00 23.54 H new ATOM 0 HA ILE A 64 8.712 2.416 4.826 1.00 62.31 H new ATOM 0 HB ILE A 64 10.419 4.839 5.317 1.00 12.25 H new ATOM 0 HG12 ILE A 64 10.196 3.084 2.811 1.00 20.14 H new ATOM 0 HG13 ILE A 64 9.253 4.546 3.029 1.00 20.14 H new ATOM 0 HG21 ILE A 64 12.362 3.383 4.740 1.00 14.02 H new ATOM 0 HG22 ILE A 64 11.546 2.855 6.231 1.00 14.02 H new ATOM 0 HG23 ILE A 64 11.275 1.974 4.709 1.00 14.02 H new ATOM 0 HD11 ILE A 64 11.248 4.989 1.645 1.00 41.30 H new ATOM 0 HD12 ILE A 64 11.345 5.889 3.177 1.00 41.30 H new ATOM 0 HD13 ILE A 64 12.302 4.405 2.955 1.00 41.30 H new ATOM 1096 N LYS A 65 9.053 3.925 7.773 1.00 42.30 N ATOM 1097 CA LYS A 65 9.102 3.698 9.213 1.00 42.21 C ATOM 1098 C LYS A 65 7.888 2.910 9.725 1.00 22.22 C ATOM 1099 O LYS A 65 8.103 1.909 10.414 1.00 4.03 O ATOM 1100 CB LYS A 65 9.315 5.057 9.913 1.00 2.05 C ATOM 1101 CG LYS A 65 8.916 5.093 11.394 1.00 11.04 C ATOM 1102 CD LYS A 65 7.610 5.879 11.599 1.00 63.23 C ATOM 1103 CE LYS A 65 6.955 5.588 12.952 1.00 53.21 C ATOM 1104 NZ LYS A 65 7.595 6.313 14.070 1.00 32.11 N ATOM 0 H LYS A 65 9.098 4.911 7.516 1.00 42.30 H new ATOM 0 HA LYS A 65 9.947 3.055 9.459 1.00 42.21 H new ATOM 0 HB2 LYS A 65 10.367 5.331 9.829 1.00 2.05 H new ATOM 0 HB3 LYS A 65 8.744 5.817 9.380 1.00 2.05 H new ATOM 0 HG2 LYS A 65 8.793 4.076 11.765 1.00 11.04 H new ATOM 0 HG3 LYS A 65 9.715 5.551 11.978 1.00 11.04 H new ATOM 0 HD2 LYS A 65 7.817 6.946 11.521 1.00 63.23 H new ATOM 0 HD3 LYS A 65 6.911 5.631 10.800 1.00 63.23 H new ATOM 0 HE2 LYS A 65 5.901 5.861 12.905 1.00 53.21 H new ATOM 0 HE3 LYS A 65 6.999 4.517 13.148 1.00 53.21 H new ATOM 0 HZ1 LYS A 65 7.110 6.077 14.959 1.00 32.11 H new ATOM 0 HZ2 LYS A 65 8.595 6.035 14.137 1.00 32.11 H new ATOM 0 HZ3 LYS A 65 7.531 7.337 13.902 1.00 32.11 H new ATOM 1118 N ILE A 66 6.644 3.300 9.425 1.00 60.53 N ATOM 1119 CA ILE A 66 5.463 2.574 9.910 1.00 22.15 C ATOM 1120 C ILE A 66 5.481 1.137 9.360 1.00 64.34 C ATOM 1121 O ILE A 66 5.184 0.193 10.100 1.00 14.12 O ATOM 1122 CB ILE A 66 4.152 3.359 9.631 1.00 21.25 C ATOM 1123 CG1 ILE A 66 4.015 4.629 10.521 1.00 22.53 C ATOM 1124 CG2 ILE A 66 2.918 2.488 9.934 1.00 23.15 C ATOM 1125 CD1 ILE A 66 4.107 5.980 9.803 1.00 75.31 C ATOM 0 H ILE A 66 6.428 4.114 8.849 1.00 60.53 H new ATOM 0 HA ILE A 66 5.498 2.492 10.996 1.00 22.15 H new ATOM 0 HB ILE A 66 4.202 3.642 8.580 1.00 21.25 H new ATOM 0 HG12 ILE A 66 3.056 4.582 11.038 1.00 22.53 H new ATOM 0 HG13 ILE A 66 4.791 4.595 11.285 1.00 22.53 H new ATOM 0 HG21 ILE A 66 2.011 3.058 9.731 1.00 23.15 H new ATOM 0 HG22 ILE A 66 2.936 1.599 9.303 1.00 23.15 H new ATOM 0 HG23 ILE A 66 2.932 2.189 10.982 1.00 23.15 H new ATOM 0 HD11 ILE A 66 3.997 6.786 10.529 1.00 75.31 H new ATOM 0 HD12 ILE A 66 5.076 6.065 9.310 1.00 75.31 H new ATOM 0 HD13 ILE A 66 3.314 6.051 9.059 1.00 75.31 H new ATOM 1137 N ILE A 67 5.883 0.944 8.098 1.00 24.52 N ATOM 1138 CA ILE A 67 5.955 -0.387 7.498 1.00 43.44 C ATOM 1139 C ILE A 67 6.942 -1.211 8.341 1.00 63.53 C ATOM 1140 O ILE A 67 6.598 -2.314 8.771 1.00 34.52 O ATOM 1141 CB ILE A 67 6.313 -0.257 5.986 1.00 51.30 C ATOM 1142 CG1 ILE A 67 5.086 -0.145 5.042 1.00 12.44 C ATOM 1143 CG2 ILE A 67 7.169 -1.422 5.466 1.00 44.13 C ATOM 1144 CD1 ILE A 67 3.885 0.650 5.560 1.00 22.34 C ATOM 0 H ILE A 67 6.164 1.699 7.473 1.00 24.52 H new ATOM 0 HA ILE A 67 5.003 -0.917 7.511 1.00 43.44 H new ATOM 0 HB ILE A 67 6.875 0.677 5.958 1.00 51.30 H new ATOM 0 HG12 ILE A 67 5.417 0.310 4.108 1.00 12.44 H new ATOM 0 HG13 ILE A 67 4.748 -1.153 4.803 1.00 12.44 H new ATOM 0 HG21 ILE A 67 7.384 -1.272 4.408 1.00 44.13 H new ATOM 0 HG22 ILE A 67 8.105 -1.463 6.024 1.00 44.13 H new ATOM 0 HG23 ILE A 67 6.627 -2.359 5.597 1.00 44.13 H new ATOM 0 HD11 ILE A 67 3.097 0.652 4.806 1.00 22.34 H new ATOM 0 HD12 ILE A 67 3.511 0.190 6.475 1.00 22.34 H new ATOM 0 HD13 ILE A 67 4.190 1.676 5.768 1.00 22.34 H new ATOM 1156 N ARG A 68 8.129 -0.680 8.668 1.00 61.51 N ATOM 1157 CA ARG A 68 9.108 -1.412 9.468 1.00 71.41 C ATOM 1158 C ARG A 68 8.597 -1.683 10.877 1.00 61.31 C ATOM 1159 O ARG A 68 8.874 -2.744 11.435 1.00 32.31 O ATOM 1160 CB ARG A 68 10.408 -0.604 9.513 1.00 22.21 C ATOM 1161 CG ARG A 68 11.080 -0.584 8.139 1.00 53.10 C ATOM 1162 CD ARG A 68 12.345 0.272 8.177 1.00 23.21 C ATOM 1163 NE ARG A 68 13.501 -0.474 7.670 1.00 11.12 N ATOM 1164 CZ ARG A 68 14.721 0.058 7.492 1.00 51.11 C ATOM 1165 NH1 ARG A 68 14.965 1.317 7.823 1.00 41.43 N ATOM 1166 NH2 ARG A 68 15.708 -0.651 6.965 1.00 11.44 N ATOM 0 H ARG A 68 8.430 0.254 8.388 1.00 61.51 H new ATOM 0 HA ARG A 68 9.287 -2.382 9.004 1.00 71.41 H new ATOM 0 HB2 ARG A 68 10.197 0.416 9.835 1.00 22.21 H new ATOM 0 HB3 ARG A 68 11.086 -1.037 10.249 1.00 22.21 H new ATOM 0 HG2 ARG A 68 11.330 -1.600 7.835 1.00 53.10 H new ATOM 0 HG3 ARG A 68 10.388 -0.189 7.395 1.00 53.10 H new ATOM 0 HD2 ARG A 68 12.198 1.171 7.579 1.00 23.21 H new ATOM 0 HD3 ARG A 68 12.538 0.597 9.199 1.00 23.21 H new ATOM 0 HE ARG A 68 13.370 -1.459 7.438 1.00 11.12 H new ATOM 0 HH11 ARG A 68 14.222 1.894 8.218 1.00 41.43 H new ATOM 0 HH12 ARG A 68 15.896 1.710 7.683 1.00 41.43 H new ATOM 0 HH21 ARG A 68 15.548 -1.619 6.686 1.00 11.44 H new ATOM 0 HH22 ARG A 68 16.628 -0.229 6.838 1.00 11.44 H new ATOM 1180 N ARG A 69 7.825 -0.759 11.447 1.00 15.23 N ATOM 1181 CA ARG A 69 7.272 -0.870 12.789 1.00 33.53 C ATOM 1182 C ARG A 69 6.407 -2.109 12.926 1.00 1.24 C ATOM 1183 O ARG A 69 6.618 -2.892 13.847 1.00 12.13 O ATOM 1184 CB ARG A 69 6.456 0.386 13.110 1.00 34.24 C ATOM 1185 CG ARG A 69 5.920 0.374 14.549 1.00 13.13 C ATOM 1186 CD ARG A 69 5.818 1.792 15.121 1.00 32.25 C ATOM 1187 NE ARG A 69 7.132 2.281 15.557 1.00 73.03 N ATOM 1188 CZ ARG A 69 7.724 2.037 16.729 1.00 42.34 C ATOM 1189 NH1 ARG A 69 7.066 1.460 17.729 1.00 43.54 N ATOM 1190 NH2 ARG A 69 8.993 2.385 16.872 1.00 23.03 N ATOM 0 H ARG A 69 7.563 0.106 10.975 1.00 15.23 H new ATOM 0 HA ARG A 69 8.095 -0.961 13.497 1.00 33.53 H new ATOM 0 HB2 ARG A 69 7.078 1.269 12.962 1.00 34.24 H new ATOM 0 HB3 ARG A 69 5.621 0.464 12.413 1.00 34.24 H new ATOM 0 HG2 ARG A 69 4.938 -0.099 14.569 1.00 13.13 H new ATOM 0 HG3 ARG A 69 6.576 -0.227 15.178 1.00 13.13 H new ATOM 0 HD2 ARG A 69 5.409 2.463 14.366 1.00 32.25 H new ATOM 0 HD3 ARG A 69 5.126 1.799 15.963 1.00 32.25 H new ATOM 0 HE ARG A 69 7.645 2.867 14.898 1.00 73.03 H new ATOM 0 HH11 ARG A 69 6.089 1.194 17.610 1.00 43.54 H new ATOM 0 HH12 ARG A 69 7.538 1.283 18.616 1.00 43.54 H new ATOM 0 HH21 ARG A 69 9.491 2.826 16.099 1.00 23.03 H new ATOM 0 HH22 ARG A 69 9.473 2.212 17.755 1.00 23.03 H new ATOM 1204 N ARG A 70 5.386 -2.260 12.071 1.00 20.53 N ATOM 1205 CA ARG A 70 4.537 -3.450 12.174 1.00 53.42 C ATOM 1206 C ARG A 70 5.230 -4.702 11.646 1.00 60.53 C ATOM 1207 O ARG A 70 5.060 -5.758 12.248 1.00 64.41 O ATOM 1208 CB ARG A 70 3.157 -3.243 11.525 1.00 41.53 C ATOM 1209 CG ARG A 70 3.176 -2.471 10.198 1.00 4.21 C ATOM 1210 CD ARG A 70 1.886 -2.641 9.381 1.00 2.11 C ATOM 1211 NE ARG A 70 1.427 -4.032 9.180 1.00 74.04 N ATOM 1212 CZ ARG A 70 0.152 -4.382 8.957 1.00 34.24 C ATOM 1213 NH1 ARG A 70 -0.772 -3.467 8.681 1.00 11.22 N ATOM 1214 NH2 ARG A 70 -0.199 -5.661 9.005 1.00 72.01 N ATOM 0 H ARG A 70 5.136 -1.603 11.331 1.00 20.53 H new ATOM 0 HA ARG A 70 4.363 -3.610 13.238 1.00 53.42 H new ATOM 0 HB2 ARG A 70 2.702 -4.219 11.354 1.00 41.53 H new ATOM 0 HB3 ARG A 70 2.517 -2.711 12.229 1.00 41.53 H new ATOM 0 HG2 ARG A 70 3.332 -1.412 10.403 1.00 4.21 H new ATOM 0 HG3 ARG A 70 4.024 -2.808 9.601 1.00 4.21 H new ATOM 0 HD2 ARG A 70 1.090 -2.084 9.875 1.00 2.11 H new ATOM 0 HD3 ARG A 70 2.035 -2.183 8.403 1.00 2.11 H new ATOM 0 HE ARG A 70 2.126 -4.774 9.213 1.00 74.04 H new ATOM 0 HH11 ARG A 70 -0.516 -2.481 8.636 1.00 11.22 H new ATOM 0 HH12 ARG A 70 -1.737 -3.751 8.514 1.00 11.22 H new ATOM 0 HH21 ARG A 70 0.500 -6.374 9.211 1.00 72.01 H new ATOM 0 HH22 ARG A 70 -1.168 -5.931 8.836 1.00 72.01 H new ATOM 1228 N LEU A 71 6.030 -4.604 10.575 1.00 75.54 N ATOM 1229 CA LEU A 71 6.720 -5.773 10.016 1.00 40.34 C ATOM 1230 C LEU A 71 7.821 -6.307 10.940 1.00 63.53 C ATOM 1231 O LEU A 71 8.213 -7.461 10.817 1.00 62.41 O ATOM 1232 CB LEU A 71 7.272 -5.434 8.619 1.00 14.13 C ATOM 1233 CG LEU A 71 7.561 -6.679 7.758 1.00 61.13 C ATOM 1234 CD1 LEU A 71 6.278 -7.494 7.530 1.00 73.53 C ATOM 1235 CD2 LEU A 71 8.158 -6.248 6.413 1.00 12.31 C ATOM 0 H LEU A 71 6.214 -3.731 10.081 1.00 75.54 H new ATOM 0 HA LEU A 71 5.990 -6.577 9.924 1.00 40.34 H new ATOM 0 HB2 LEU A 71 6.556 -4.799 8.098 1.00 14.13 H new ATOM 0 HB3 LEU A 71 8.190 -4.856 8.729 1.00 14.13 H new ATOM 0 HG LEU A 71 8.276 -7.310 8.285 1.00 61.13 H new ATOM 0 HD11 LEU A 71 6.506 -8.368 6.920 1.00 73.53 H new ATOM 0 HD12 LEU A 71 5.876 -7.817 8.491 1.00 73.53 H new ATOM 0 HD13 LEU A 71 5.541 -6.876 7.018 1.00 73.53 H new ATOM 0 HD21 LEU A 71 8.362 -7.130 5.806 1.00 12.31 H new ATOM 0 HD22 LEU A 71 7.451 -5.603 5.891 1.00 12.31 H new ATOM 0 HD23 LEU A 71 9.087 -5.704 6.585 1.00 12.31 H new ATOM 1247 N GLN A 72 8.315 -5.475 11.862 1.00 21.43 N ATOM 1248 CA GLN A 72 9.346 -5.777 12.855 1.00 63.40 C ATOM 1249 C GLN A 72 10.628 -6.383 12.250 1.00 51.44 C ATOM 1250 O GLN A 72 11.306 -7.184 12.890 1.00 55.21 O ATOM 1251 CB GLN A 72 8.718 -6.573 14.015 1.00 4.44 C ATOM 1252 CG GLN A 72 7.623 -5.720 14.681 1.00 75.52 C ATOM 1253 CD GLN A 72 6.943 -6.405 15.850 1.00 34.32 C ATOM 1254 OE1 GLN A 72 6.446 -7.518 15.750 1.00 31.13 O ATOM 1255 NE2 GLN A 72 6.857 -5.742 16.987 1.00 40.21 N ATOM 0 H GLN A 72 7.984 -4.513 11.938 1.00 21.43 H new ATOM 0 HA GLN A 72 9.719 -4.844 13.277 1.00 63.40 H new ATOM 0 HB2 GLN A 72 8.293 -7.506 13.644 1.00 4.44 H new ATOM 0 HB3 GLN A 72 9.483 -6.839 14.745 1.00 4.44 H new ATOM 0 HG2 GLN A 72 8.063 -4.784 15.026 1.00 75.52 H new ATOM 0 HG3 GLN A 72 6.871 -5.463 13.935 1.00 75.52 H new ATOM 0 HE21 GLN A 72 7.272 -4.814 17.069 1.00 40.21 H new ATOM 0 HE22 GLN A 72 6.375 -6.157 17.784 1.00 40.21 H new ATOM 1264 N LEU A 73 10.978 -5.937 11.032 1.00 14.14 N ATOM 1265 CA LEU A 73 12.147 -6.357 10.250 1.00 0.32 C ATOM 1266 C LEU A 73 13.465 -6.167 11.030 1.00 55.33 C ATOM 1267 O LEU A 73 13.503 -5.473 12.051 1.00 15.05 O ATOM 1268 CB LEU A 73 12.098 -5.666 8.855 1.00 12.13 C ATOM 1269 CG LEU A 73 13.149 -4.608 8.475 1.00 31.31 C ATOM 1270 CD1 LEU A 73 12.825 -4.094 7.068 1.00 42.03 C ATOM 1271 CD2 LEU A 73 13.136 -3.396 9.418 1.00 21.45 C ATOM 0 H LEU A 73 10.421 -5.236 10.543 1.00 14.14 H new ATOM 0 HA LEU A 73 12.114 -7.432 10.070 1.00 0.32 H new ATOM 0 HB2 LEU A 73 12.146 -6.454 8.103 1.00 12.13 H new ATOM 0 HB3 LEU A 73 11.119 -5.196 8.762 1.00 12.13 H new ATOM 0 HG LEU A 73 14.128 -5.082 8.537 1.00 31.31 H new ATOM 0 HD11 LEU A 73 13.558 -3.342 6.778 1.00 42.03 H new ATOM 0 HD12 LEU A 73 12.857 -4.923 6.361 1.00 42.03 H new ATOM 0 HD13 LEU A 73 11.829 -3.651 7.063 1.00 42.03 H new ATOM 0 HD21 LEU A 73 13.897 -2.682 9.103 1.00 21.45 H new ATOM 0 HD22 LEU A 73 12.156 -2.920 9.385 1.00 21.45 H new ATOM 0 HD23 LEU A 73 13.346 -3.725 10.436 1.00 21.45 H new ATOM 1283 N ASN A 74 14.571 -6.763 10.577 1.00 15.01 N ATOM 1284 CA ASN A 74 15.854 -6.624 11.259 1.00 72.12 C ATOM 1285 C ASN A 74 16.465 -5.256 10.974 1.00 12.25 C ATOM 1286 O ASN A 74 16.115 -4.600 9.994 1.00 62.44 O ATOM 1287 CB ASN A 74 16.836 -7.711 10.781 1.00 52.44 C ATOM 1288 CG ASN A 74 17.212 -8.727 11.837 1.00 1.23 C ATOM 1289 OD1 ASN A 74 17.009 -8.532 13.038 1.00 33.25 O ATOM 1290 ND2 ASN A 74 17.866 -9.777 11.387 1.00 62.44 N ATOM 0 H ASN A 74 14.601 -7.346 9.740 1.00 15.01 H new ATOM 0 HA ASN A 74 15.678 -6.731 12.329 1.00 72.12 H new ATOM 0 HB2 ASN A 74 16.394 -8.234 9.933 1.00 52.44 H new ATOM 0 HB3 ASN A 74 17.744 -7.229 10.420 1.00 52.44 H new ATOM 0 HD21 ASN A 74 18.229 -10.471 12.041 1.00 62.44 H new ATOM 0 HD22 ASN A 74 18.010 -9.897 10.384 1.00 62.44 H new ATOM 1297 N ALA A 75 17.418 -4.834 11.806 1.00 74.10 N ATOM 1298 CA ALA A 75 18.105 -3.555 11.627 1.00 31.44 C ATOM 1299 C ALA A 75 19.435 -3.793 10.917 1.00 1.13 C ATOM 1300 O ALA A 75 19.948 -2.878 10.273 1.00 75.13 O ATOM 1301 CB ALA A 75 18.334 -2.845 12.961 1.00 22.13 C ATOM 0 H ALA A 75 17.734 -5.365 12.618 1.00 74.10 H new ATOM 0 HA ALA A 75 17.473 -2.907 11.020 1.00 31.44 H new ATOM 0 HB1 ALA A 75 18.847 -1.899 12.786 1.00 22.13 H new ATOM 0 HB2 ALA A 75 17.374 -2.654 13.441 1.00 22.13 H new ATOM 0 HB3 ALA A 75 18.945 -3.475 13.608 1.00 22.13 H new ATOM 1307 N ASN A 76 19.981 -5.011 11.032 1.00 2.02 N ATOM 1308 CA ASN A 76 21.245 -5.401 10.396 1.00 52.32 C ATOM 1309 C ASN A 76 21.036 -5.626 8.897 1.00 42.34 C ATOM 1310 O ASN A 76 21.988 -5.595 8.118 1.00 44.23 O ATOM 1311 CB ASN A 76 21.816 -6.671 11.045 1.00 43.21 C ATOM 1312 CG ASN A 76 20.815 -7.813 11.083 1.00 54.40 C ATOM 1313 OD1 ASN A 76 20.523 -8.459 10.086 1.00 35.12 O ATOM 1314 ND2 ASN A 76 20.202 -8.054 12.231 1.00 15.25 N ATOM 0 H ASN A 76 19.552 -5.761 11.575 1.00 2.02 H new ATOM 0 HA ASN A 76 21.961 -4.591 10.538 1.00 52.32 H new ATOM 0 HB2 ASN A 76 22.702 -6.988 10.494 1.00 43.21 H new ATOM 0 HB3 ASN A 76 22.137 -6.441 12.061 1.00 43.21 H new ATOM 0 HD21 ASN A 76 19.486 -8.778 12.285 1.00 15.25 H new ATOM 0 HD22 ASN A 76 20.446 -7.515 13.062 1.00 15.25 H new ATOM 1321 N GLN A 77 19.782 -5.827 8.496 1.00 73.43 N ATOM 1322 CA GLN A 77 19.346 -6.031 7.124 1.00 33.44 C ATOM 1323 C GLN A 77 18.787 -4.695 6.627 1.00 43.42 C ATOM 1324 O GLN A 77 18.477 -3.831 7.454 1.00 33.25 O ATOM 1325 CB GLN A 77 18.334 -7.186 7.043 1.00 62.52 C ATOM 1326 CG GLN A 77 16.871 -6.811 7.337 1.00 75.13 C ATOM 1327 CD GLN A 77 15.883 -7.956 7.099 1.00 41.12 C ATOM 1328 OE1 GLN A 77 14.941 -8.138 7.865 1.00 55.40 O ATOM 1329 NE2 GLN A 77 16.066 -8.755 6.056 1.00 75.14 N ATOM 0 H GLN A 77 19.006 -5.852 9.157 1.00 73.43 H new ATOM 0 HA GLN A 77 20.171 -6.330 6.478 1.00 33.44 H new ATOM 0 HB2 GLN A 77 18.385 -7.621 6.045 1.00 62.52 H new ATOM 0 HB3 GLN A 77 18.639 -7.962 7.745 1.00 62.52 H new ATOM 0 HG2 GLN A 77 16.790 -6.483 8.373 1.00 75.13 H new ATOM 0 HG3 GLN A 77 16.589 -5.964 6.712 1.00 75.13 H new ATOM 0 HE21 GLN A 77 16.851 -8.597 5.424 1.00 75.14 H new ATOM 0 HE22 GLN A 77 15.422 -9.527 5.886 1.00 75.14 H new ATOM 1338 N ALA A 78 18.796 -4.423 5.325 1.00 22.52 N ATOM 1339 CA ALA A 78 18.242 -3.187 4.763 1.00 40.42 C ATOM 1340 C ALA A 78 17.110 -3.553 3.807 1.00 44.13 C ATOM 1341 O ALA A 78 17.074 -4.677 3.292 1.00 20.15 O ATOM 1342 CB ALA A 78 19.313 -2.348 4.066 1.00 12.42 C ATOM 0 H ALA A 78 19.188 -5.053 4.625 1.00 22.52 H new ATOM 0 HA ALA A 78 17.852 -2.569 5.572 1.00 40.42 H new ATOM 0 HB1 ALA A 78 18.861 -1.442 3.664 1.00 12.42 H new ATOM 0 HB2 ALA A 78 20.088 -2.079 4.783 1.00 12.42 H new ATOM 0 HB3 ALA A 78 19.755 -2.924 3.253 1.00 12.42 H new ATOM 1348 N PHE A 79 16.164 -2.642 3.588 1.00 32.44 N ATOM 1349 CA PHE A 79 15.041 -2.871 2.691 1.00 43.30 C ATOM 1350 C PHE A 79 14.695 -1.577 1.981 1.00 40.20 C ATOM 1351 O PHE A 79 14.983 -0.489 2.496 1.00 21.41 O ATOM 1352 CB PHE A 79 13.833 -3.462 3.435 1.00 41.34 C ATOM 1353 CG PHE A 79 12.653 -2.536 3.634 1.00 3.02 C ATOM 1354 CD1 PHE A 79 12.738 -1.529 4.604 1.00 73.11 C ATOM 1355 CD2 PHE A 79 11.512 -2.627 2.812 1.00 64.50 C ATOM 1356 CE1 PHE A 79 11.676 -0.634 4.777 1.00 61.10 C ATOM 1357 CE2 PHE A 79 10.452 -1.718 2.979 1.00 51.20 C ATOM 1358 CZ PHE A 79 10.532 -0.726 3.972 1.00 35.31 C ATOM 0 H PHE A 79 16.158 -1.723 4.030 1.00 32.44 H new ATOM 0 HA PHE A 79 15.328 -3.611 1.944 1.00 43.30 H new ATOM 0 HB2 PHE A 79 13.491 -4.341 2.889 1.00 41.34 H new ATOM 0 HB3 PHE A 79 14.168 -3.806 4.414 1.00 41.34 H new ATOM 0 HD1 PHE A 79 13.622 -1.443 5.218 1.00 73.11 H new ATOM 0 HD2 PHE A 79 11.452 -3.394 2.054 1.00 64.50 H new ATOM 0 HE1 PHE A 79 11.738 0.132 5.535 1.00 61.10 H new ATOM 0 HE2 PHE A 79 9.579 -1.782 2.346 1.00 51.20 H new ATOM 0 HZ PHE A 79 9.713 -0.036 4.114 1.00 35.31 H new ATOM 1368 N PHE A 80 14.027 -1.723 0.841 1.00 2.04 N ATOM 1369 CA PHE A 80 13.618 -0.627 -0.002 1.00 51.32 C ATOM 1370 C PHE A 80 12.189 -0.861 -0.470 1.00 3.05 C ATOM 1371 O PHE A 80 11.699 -1.997 -0.552 1.00 13.21 O ATOM 1372 CB PHE A 80 14.606 -0.509 -1.175 1.00 62.33 C ATOM 1373 CG PHE A 80 16.053 -0.488 -0.709 1.00 13.42 C ATOM 1374 CD1 PHE A 80 16.657 0.719 -0.311 1.00 31.33 C ATOM 1375 CD2 PHE A 80 16.745 -1.701 -0.536 1.00 64.44 C ATOM 1376 CE1 PHE A 80 17.944 0.703 0.255 1.00 42.22 C ATOM 1377 CE2 PHE A 80 18.032 -1.717 0.024 1.00 44.23 C ATOM 1378 CZ PHE A 80 18.634 -0.511 0.418 1.00 71.52 C ATOM 0 H PHE A 80 13.752 -2.635 0.477 1.00 2.04 H new ATOM 0 HA PHE A 80 13.633 0.316 0.545 1.00 51.32 H new ATOM 0 HB2 PHE A 80 14.458 -1.346 -1.857 1.00 62.33 H new ATOM 0 HB3 PHE A 80 14.394 0.401 -1.736 1.00 62.33 H new ATOM 0 HD1 PHE A 80 16.134 1.655 -0.440 1.00 31.33 H new ATOM 0 HD2 PHE A 80 16.281 -2.629 -0.837 1.00 64.44 H new ATOM 0 HE1 PHE A 80 18.405 1.629 0.566 1.00 42.22 H new ATOM 0 HE2 PHE A 80 18.557 -2.652 0.151 1.00 44.23 H new ATOM 0 HZ PHE A 80 19.626 -0.516 0.846 1.00 71.52 H new ATOM 1388 N LEU A 81 11.529 0.259 -0.738 1.00 13.22 N ATOM 1389 CA LEU A 81 10.169 0.377 -1.212 1.00 21.34 C ATOM 1390 C LEU A 81 10.299 1.024 -2.577 1.00 13.22 C ATOM 1391 O LEU A 81 10.918 2.081 -2.743 1.00 31.53 O ATOM 1392 CB LEU A 81 9.350 1.203 -0.223 1.00 54.40 C ATOM 1393 CG LEU A 81 7.867 1.379 -0.590 1.00 60.20 C ATOM 1394 CD1 LEU A 81 7.586 2.344 -1.738 1.00 53.44 C ATOM 1395 CD2 LEU A 81 7.079 0.077 -0.737 1.00 60.12 C ATOM 0 H LEU A 81 11.969 1.171 -0.619 1.00 13.22 H new ATOM 0 HA LEU A 81 9.643 -0.574 -1.293 1.00 21.34 H new ATOM 0 HB2 LEU A 81 9.412 0.732 0.758 1.00 54.40 H new ATOM 0 HB3 LEU A 81 9.805 2.189 -0.133 1.00 54.40 H new ATOM 0 HG LEU A 81 7.479 1.868 0.304 1.00 60.20 H new ATOM 0 HD11 LEU A 81 6.512 2.395 -1.916 1.00 53.44 H new ATOM 0 HD12 LEU A 81 7.959 3.335 -1.480 1.00 53.44 H new ATOM 0 HD13 LEU A 81 8.086 1.992 -2.640 1.00 53.44 H new ATOM 0 HD21 LEU A 81 6.045 0.305 -0.996 1.00 60.12 H new ATOM 0 HD22 LEU A 81 7.525 -0.531 -1.524 1.00 60.12 H new ATOM 0 HD23 LEU A 81 7.104 -0.472 0.204 1.00 60.12 H new ATOM 1407 N LEU A 82 9.719 0.340 -3.541 1.00 20.32 N ATOM 1408 CA LEU A 82 9.708 0.687 -4.945 1.00 31.44 C ATOM 1409 C LEU A 82 8.338 1.178 -5.350 1.00 61.34 C ATOM 1410 O LEU A 82 7.336 0.640 -4.884 1.00 53.42 O ATOM 1411 CB LEU A 82 10.047 -0.561 -5.764 1.00 41.23 C ATOM 1412 CG LEU A 82 11.421 -1.161 -5.429 1.00 0.22 C ATOM 1413 CD1 LEU A 82 11.357 -2.296 -4.398 1.00 63.31 C ATOM 1414 CD2 LEU A 82 12.057 -1.657 -6.726 1.00 31.32 C ATOM 0 H LEU A 82 9.212 -0.525 -3.353 1.00 20.32 H new ATOM 0 HA LEU A 82 10.439 1.475 -5.126 1.00 31.44 H new ATOM 0 HB2 LEU A 82 9.279 -1.316 -5.595 1.00 41.23 H new ATOM 0 HB3 LEU A 82 10.018 -0.309 -6.824 1.00 41.23 H new ATOM 0 HG LEU A 82 12.025 -0.378 -4.970 1.00 0.22 H new ATOM 0 HD11 LEU A 82 12.362 -2.673 -4.209 1.00 63.31 H new ATOM 0 HD12 LEU A 82 10.930 -1.920 -3.469 1.00 63.31 H new ATOM 0 HD13 LEU A 82 10.734 -3.103 -4.783 1.00 63.31 H new ATOM 0 HD21 LEU A 82 13.035 -2.087 -6.510 1.00 31.32 H new ATOM 0 HD22 LEU A 82 11.418 -2.416 -7.178 1.00 31.32 H new ATOM 0 HD23 LEU A 82 12.173 -0.822 -7.417 1.00 31.32 H new ATOM 1426 N VAL A 83 8.284 2.161 -6.240 1.00 42.40 N ATOM 1427 CA VAL A 83 7.028 2.725 -6.727 1.00 21.21 C ATOM 1428 C VAL A 83 6.853 2.140 -8.120 1.00 51.10 C ATOM 1429 O VAL A 83 7.774 2.199 -8.930 1.00 53.00 O ATOM 1430 CB VAL A 83 7.054 4.262 -6.673 1.00 4.45 C ATOM 1431 CG1 VAL A 83 5.669 4.811 -7.040 1.00 65.30 C ATOM 1432 CG2 VAL A 83 7.399 4.746 -5.251 1.00 45.00 C ATOM 0 H VAL A 83 9.114 2.593 -6.647 1.00 42.40 H new ATOM 0 HA VAL A 83 6.168 2.467 -6.109 1.00 21.21 H new ATOM 0 HB VAL A 83 7.808 4.617 -7.376 1.00 4.45 H new ATOM 0 HG11 VAL A 83 5.687 5.900 -7.002 1.00 65.30 H new ATOM 0 HG12 VAL A 83 5.405 4.488 -8.047 1.00 65.30 H new ATOM 0 HG13 VAL A 83 4.930 4.436 -6.333 1.00 65.30 H new ATOM 0 HG21 VAL A 83 7.413 5.836 -5.231 1.00 45.00 H new ATOM 0 HG22 VAL A 83 6.649 4.380 -4.550 1.00 45.00 H new ATOM 0 HG23 VAL A 83 8.379 4.365 -4.965 1.00 45.00 H new ATOM 1442 N ASN A 84 5.743 1.439 -8.364 1.00 2.21 N ATOM 1443 CA ASN A 84 5.404 0.774 -9.627 1.00 63.44 C ATOM 1444 C ASN A 84 6.486 -0.245 -10.046 1.00 43.04 C ATOM 1445 O ASN A 84 6.487 -0.717 -11.187 1.00 31.43 O ATOM 1446 CB ASN A 84 5.085 1.806 -10.730 1.00 41.41 C ATOM 1447 CG ASN A 84 3.807 2.617 -10.498 1.00 62.32 C ATOM 1448 OD1 ASN A 84 3.251 2.655 -9.411 1.00 34.45 O ATOM 1449 ND2 ASN A 84 3.286 3.257 -11.527 1.00 22.11 N ATOM 0 H ASN A 84 5.022 1.313 -7.654 1.00 2.21 H new ATOM 0 HA ASN A 84 4.494 0.194 -9.470 1.00 63.44 H new ATOM 0 HB2 ASN A 84 5.925 2.495 -10.818 1.00 41.41 H new ATOM 0 HB3 ASN A 84 5.000 1.284 -11.683 1.00 41.41 H new ATOM 0 HD21 ASN A 84 2.419 3.783 -11.415 1.00 22.11 H new ATOM 0 HD22 ASN A 84 3.750 3.226 -12.435 1.00 22.11 H new ATOM 1456 N GLY A 85 7.390 -0.627 -9.132 1.00 40.41 N ATOM 1457 CA GLY A 85 8.493 -1.562 -9.345 1.00 34.31 C ATOM 1458 C GLY A 85 9.830 -0.851 -9.574 1.00 62.51 C ATOM 1459 O GLY A 85 10.793 -1.510 -9.969 1.00 23.53 O ATOM 0 H GLY A 85 7.366 -0.271 -8.176 1.00 40.41 H new ATOM 0 HA2 GLY A 85 8.579 -2.220 -8.480 1.00 34.31 H new ATOM 0 HA3 GLY A 85 8.269 -2.193 -10.205 1.00 34.31 H new ATOM 1463 N HIS A 86 9.914 0.451 -9.274 1.00 40.32 N ATOM 1464 CA HIS A 86 11.086 1.297 -9.442 1.00 11.42 C ATOM 1465 C HIS A 86 11.438 2.079 -8.174 1.00 1.35 C ATOM 1466 O HIS A 86 10.705 2.977 -7.749 1.00 32.54 O ATOM 1467 CB HIS A 86 10.828 2.258 -10.612 1.00 24.25 C ATOM 1468 CG HIS A 86 10.467 1.504 -11.861 1.00 31.31 C ATOM 1469 ND1 HIS A 86 11.333 0.692 -12.549 1.00 23.21 N ATOM 1470 CD2 HIS A 86 9.201 1.272 -12.334 1.00 34.52 C ATOM 1471 CE1 HIS A 86 10.610 -0.045 -13.396 1.00 1.31 C ATOM 1472 NE2 HIS A 86 9.308 0.295 -13.335 1.00 4.04 N ATOM 0 H HIS A 86 9.121 0.963 -8.888 1.00 40.32 H new ATOM 0 HA HIS A 86 11.943 0.657 -9.652 1.00 11.42 H new ATOM 0 HB2 HIS A 86 10.022 2.944 -10.352 1.00 24.25 H new ATOM 0 HB3 HIS A 86 11.716 2.863 -10.793 1.00 24.25 H new ATOM 0 HD2 HIS A 86 8.293 1.751 -11.999 1.00 34.52 H new ATOM 0 HE1 HIS A 86 11.014 -0.810 -14.042 1.00 1.31 H new ATOM 0 HE2 HIS A 86 8.550 -0.083 -13.904 1.00 4.04 H new ATOM 1480 N SER A 87 12.545 1.721 -7.526 1.00 40.41 N ATOM 1481 CA SER A 87 13.035 2.398 -6.333 1.00 55.13 C ATOM 1482 C SER A 87 13.738 3.663 -6.847 1.00 42.03 C ATOM 1483 O SER A 87 14.965 3.700 -6.936 1.00 63.44 O ATOM 1484 CB SER A 87 13.992 1.472 -5.549 1.00 42.34 C ATOM 1485 OG SER A 87 13.907 1.757 -4.166 1.00 21.52 O ATOM 0 H SER A 87 13.133 0.941 -7.821 1.00 40.41 H new ATOM 0 HA SER A 87 12.237 2.657 -5.637 1.00 55.13 H new ATOM 0 HB2 SER A 87 13.734 0.429 -5.731 1.00 42.34 H new ATOM 0 HB3 SER A 87 15.015 1.613 -5.897 1.00 42.34 H new ATOM 0 HG SER A 87 14.622 1.285 -3.690 1.00 21.52 H new ATOM 1491 N MET A 88 12.984 4.740 -7.090 1.00 51.41 N ATOM 1492 CA MET A 88 13.561 5.984 -7.612 1.00 31.52 C ATOM 1493 C MET A 88 13.212 7.251 -6.847 1.00 63.22 C ATOM 1494 O MET A 88 13.762 8.318 -7.137 1.00 32.13 O ATOM 1495 CB MET A 88 13.172 6.121 -9.093 1.00 45.41 C ATOM 1496 CG MET A 88 11.684 6.422 -9.319 1.00 31.43 C ATOM 1497 SD MET A 88 11.333 7.115 -10.953 1.00 71.33 S ATOM 1498 CE MET A 88 11.775 5.692 -11.973 1.00 3.24 C ATOM 0 H MET A 88 11.977 4.776 -6.934 1.00 51.41 H new ATOM 0 HA MET A 88 14.639 5.892 -7.483 1.00 31.52 H new ATOM 0 HB2 MET A 88 13.766 6.917 -9.543 1.00 45.41 H new ATOM 0 HB3 MET A 88 13.429 5.198 -9.613 1.00 45.41 H new ATOM 0 HG2 MET A 88 11.111 5.503 -9.191 1.00 31.43 H new ATOM 0 HG3 MET A 88 11.342 7.120 -8.555 1.00 31.43 H new ATOM 0 HE1 MET A 88 11.638 5.942 -13.025 1.00 3.24 H new ATOM 0 HE2 MET A 88 12.817 5.427 -11.796 1.00 3.24 H new ATOM 0 HE3 MET A 88 11.137 4.847 -11.715 1.00 3.24 H new ATOM 1508 N VAL A 89 12.277 7.143 -5.917 1.00 2.03 N ATOM 1509 CA VAL A 89 11.806 8.251 -5.105 1.00 10.15 C ATOM 1510 C VAL A 89 12.780 8.456 -3.934 1.00 34.32 C ATOM 1511 O VAL A 89 13.604 7.585 -3.625 1.00 74.42 O ATOM 1512 CB VAL A 89 10.337 7.958 -4.718 1.00 63.10 C ATOM 1513 CG1 VAL A 89 9.682 9.073 -3.899 1.00 24.12 C ATOM 1514 CG2 VAL A 89 9.473 7.775 -5.984 1.00 50.34 C ATOM 0 H VAL A 89 11.814 6.260 -5.701 1.00 2.03 H new ATOM 0 HA VAL A 89 11.796 9.205 -5.632 1.00 10.15 H new ATOM 0 HB VAL A 89 10.380 7.053 -4.112 1.00 63.10 H new ATOM 0 HG11 VAL A 89 8.654 8.797 -3.665 1.00 24.12 H new ATOM 0 HG12 VAL A 89 10.238 9.219 -2.973 1.00 24.12 H new ATOM 0 HG13 VAL A 89 9.687 9.998 -4.475 1.00 24.12 H new ATOM 0 HG21 VAL A 89 8.442 7.570 -5.695 1.00 50.34 H new ATOM 0 HG22 VAL A 89 9.507 8.685 -6.583 1.00 50.34 H new ATOM 0 HG23 VAL A 89 9.858 6.941 -6.570 1.00 50.34 H new ATOM 1524 N SER A 90 12.743 9.627 -3.303 1.00 11.01 N ATOM 1525 CA SER A 90 13.591 9.956 -2.172 1.00 70.42 C ATOM 1526 C SER A 90 12.793 9.729 -0.887 1.00 43.23 C ATOM 1527 O SER A 90 11.561 9.800 -0.862 1.00 22.44 O ATOM 1528 CB SER A 90 14.057 11.405 -2.325 1.00 50.04 C ATOM 1529 OG SER A 90 14.804 11.843 -1.211 1.00 62.34 O ATOM 0 H SER A 90 12.112 10.382 -3.571 1.00 11.01 H new ATOM 0 HA SER A 90 14.477 9.323 -2.129 1.00 70.42 H new ATOM 0 HB2 SER A 90 14.663 11.497 -3.226 1.00 50.04 H new ATOM 0 HB3 SER A 90 13.190 12.052 -2.457 1.00 50.04 H new ATOM 0 HG SER A 90 15.084 12.772 -1.349 1.00 62.34 H new ATOM 1535 N VAL A 91 13.499 9.479 0.214 1.00 22.21 N ATOM 1536 CA VAL A 91 12.887 9.256 1.520 1.00 42.34 C ATOM 1537 C VAL A 91 12.163 10.518 2.029 1.00 41.22 C ATOM 1538 O VAL A 91 11.337 10.425 2.937 1.00 73.21 O ATOM 1539 CB VAL A 91 13.943 8.748 2.525 1.00 62.32 C ATOM 1540 CG1 VAL A 91 14.488 7.371 2.105 1.00 13.22 C ATOM 1541 CG2 VAL A 91 15.127 9.712 2.704 1.00 11.33 C ATOM 0 H VAL A 91 14.518 9.425 0.224 1.00 22.21 H new ATOM 0 HA VAL A 91 12.125 8.483 1.416 1.00 42.34 H new ATOM 0 HB VAL A 91 13.422 8.675 3.480 1.00 62.32 H new ATOM 0 HG11 VAL A 91 15.230 7.037 2.830 1.00 13.22 H new ATOM 0 HG12 VAL A 91 13.669 6.652 2.066 1.00 13.22 H new ATOM 0 HG13 VAL A 91 14.951 7.448 1.121 1.00 13.22 H new ATOM 0 HG21 VAL A 91 15.831 9.294 3.423 1.00 11.33 H new ATOM 0 HG22 VAL A 91 15.628 9.855 1.747 1.00 11.33 H new ATOM 0 HG23 VAL A 91 14.762 10.672 3.069 1.00 11.33 H new ATOM 1551 N SER A 92 12.382 11.677 1.411 1.00 72.11 N ATOM 1552 CA SER A 92 11.776 12.937 1.814 1.00 1.01 C ATOM 1553 C SER A 92 10.628 13.403 0.904 1.00 73.41 C ATOM 1554 O SER A 92 10.084 14.484 1.134 1.00 43.21 O ATOM 1555 CB SER A 92 12.902 13.976 1.887 1.00 63.51 C ATOM 1556 OG SER A 92 14.030 13.464 2.581 1.00 13.45 O ATOM 0 H SER A 92 12.997 11.764 0.602 1.00 72.11 H new ATOM 0 HA SER A 92 11.299 12.802 2.785 1.00 1.01 H new ATOM 0 HB2 SER A 92 13.195 14.270 0.879 1.00 63.51 H new ATOM 0 HB3 SER A 92 12.540 14.874 2.388 1.00 63.51 H new ATOM 0 HG SER A 92 14.733 14.146 2.611 1.00 13.45 H new ATOM 1562 N THR A 93 10.242 12.642 -0.125 1.00 5.34 N ATOM 1563 CA THR A 93 9.174 13.043 -1.041 1.00 62.53 C ATOM 1564 C THR A 93 7.783 12.720 -0.456 1.00 11.04 C ATOM 1565 O THR A 93 7.602 11.600 0.038 1.00 11.05 O ATOM 1566 CB THR A 93 9.398 12.330 -2.389 1.00 44.03 C ATOM 1567 OG1 THR A 93 10.774 12.297 -2.732 1.00 41.11 O ATOM 1568 CG2 THR A 93 8.657 13.009 -3.540 1.00 61.52 C ATOM 0 H THR A 93 10.659 11.737 -0.344 1.00 5.34 H new ATOM 0 HA THR A 93 9.204 14.122 -1.190 1.00 62.53 H new ATOM 0 HB THR A 93 9.010 11.321 -2.251 1.00 44.03 H new ATOM 0 HG1 THR A 93 10.874 11.984 -3.655 1.00 41.11 H new ATOM 0 HG21 THR A 93 8.849 12.467 -4.466 1.00 61.52 H new ATOM 0 HG22 THR A 93 7.587 13.009 -3.334 1.00 61.52 H new ATOM 0 HG23 THR A 93 9.006 14.036 -3.642 1.00 61.52 H new ATOM 1576 N PRO A 94 6.792 13.639 -0.491 1.00 22.13 N ATOM 1577 CA PRO A 94 5.450 13.383 0.028 1.00 30.55 C ATOM 1578 C PRO A 94 4.690 12.380 -0.851 1.00 73.50 C ATOM 1579 O PRO A 94 4.810 12.366 -2.086 1.00 14.23 O ATOM 1580 CB PRO A 94 4.741 14.732 0.094 1.00 54.30 C ATOM 1581 CG PRO A 94 5.484 15.610 -0.910 1.00 14.22 C ATOM 1582 CD PRO A 94 6.880 14.993 -1.023 1.00 72.52 C ATOM 0 HA PRO A 94 5.497 12.929 1.018 1.00 30.55 H new ATOM 0 HB2 PRO A 94 3.687 14.638 -0.166 1.00 54.30 H new ATOM 0 HB3 PRO A 94 4.785 15.154 1.098 1.00 54.30 H new ATOM 0 HG2 PRO A 94 4.978 15.620 -1.875 1.00 14.22 H new ATOM 0 HG3 PRO A 94 5.536 16.643 -0.567 1.00 14.22 H new ATOM 0 HD2 PRO A 94 7.212 14.979 -2.061 1.00 72.52 H new ATOM 0 HD3 PRO A 94 7.608 15.581 -0.463 1.00 72.52 H new ATOM 1590 N ILE A 95 3.860 11.549 -0.213 1.00 32.33 N ATOM 1591 CA ILE A 95 3.102 10.536 -0.945 1.00 44.01 C ATOM 1592 C ILE A 95 2.097 11.183 -1.896 1.00 74.42 C ATOM 1593 O ILE A 95 1.754 10.556 -2.890 1.00 23.25 O ATOM 1594 CB ILE A 95 2.487 9.494 0.018 1.00 32.51 C ATOM 1595 CG1 ILE A 95 1.870 8.244 -0.678 1.00 3.04 C ATOM 1596 CG2 ILE A 95 1.426 10.175 0.907 1.00 42.22 C ATOM 1597 CD1 ILE A 95 2.834 7.401 -1.513 1.00 25.31 C ATOM 0 H ILE A 95 3.699 11.558 0.794 1.00 32.33 H new ATOM 0 HA ILE A 95 3.785 9.973 -1.582 1.00 44.01 H new ATOM 0 HB ILE A 95 3.317 9.115 0.615 1.00 32.51 H new ATOM 0 HG12 ILE A 95 1.430 7.606 0.088 1.00 3.04 H new ATOM 0 HG13 ILE A 95 1.056 8.576 -1.323 1.00 3.04 H new ATOM 0 HG21 ILE A 95 0.993 9.440 1.585 1.00 42.22 H new ATOM 0 HG22 ILE A 95 1.893 10.972 1.486 1.00 42.22 H new ATOM 0 HG23 ILE A 95 0.641 10.596 0.279 1.00 42.22 H new ATOM 0 HD11 ILE A 95 2.297 6.559 -1.949 1.00 25.31 H new ATOM 0 HD12 ILE A 95 3.257 8.014 -2.309 1.00 25.31 H new ATOM 0 HD13 ILE A 95 3.637 7.028 -0.876 1.00 25.31 H new ATOM 1609 N SER A 96 1.630 12.406 -1.621 1.00 10.24 N ATOM 1610 CA SER A 96 0.679 13.120 -2.462 1.00 51.13 C ATOM 1611 C SER A 96 1.278 13.332 -3.860 1.00 64.24 C ATOM 1612 O SER A 96 0.639 12.998 -4.862 1.00 62.14 O ATOM 1613 CB SER A 96 0.254 14.430 -1.766 1.00 32.34 C ATOM 1614 OG SER A 96 1.213 14.851 -0.803 1.00 33.35 O ATOM 0 H SER A 96 1.911 12.931 -0.793 1.00 10.24 H new ATOM 0 HA SER A 96 -0.229 12.533 -2.602 1.00 51.13 H new ATOM 0 HB2 SER A 96 0.121 15.212 -2.513 1.00 32.34 H new ATOM 0 HB3 SER A 96 -0.711 14.287 -1.280 1.00 32.34 H new ATOM 0 HG SER A 96 0.914 14.589 0.093 1.00 33.35 H new ATOM 1620 N GLU A 97 2.514 13.841 -3.952 1.00 70.11 N ATOM 1621 CA GLU A 97 3.115 14.046 -5.262 1.00 41.34 C ATOM 1622 C GLU A 97 3.540 12.712 -5.880 1.00 12.25 C ATOM 1623 O GLU A 97 3.425 12.553 -7.093 1.00 54.23 O ATOM 1624 CB GLU A 97 4.228 15.091 -5.241 1.00 50.03 C ATOM 1625 CG GLU A 97 5.555 14.638 -4.629 1.00 61.21 C ATOM 1626 CD GLU A 97 6.596 15.740 -4.798 1.00 12.44 C ATOM 1627 OE1 GLU A 97 6.424 16.838 -4.219 1.00 10.05 O ATOM 1628 OE2 GLU A 97 7.516 15.536 -5.618 1.00 62.43 O ATOM 0 H GLU A 97 3.096 14.109 -3.158 1.00 70.11 H new ATOM 0 HA GLU A 97 2.352 14.467 -5.917 1.00 41.34 H new ATOM 0 HB2 GLU A 97 4.414 15.417 -6.264 1.00 50.03 H new ATOM 0 HB3 GLU A 97 3.873 15.961 -4.689 1.00 50.03 H new ATOM 0 HG2 GLU A 97 5.421 14.409 -3.572 1.00 61.21 H new ATOM 0 HG3 GLU A 97 5.897 13.723 -5.112 1.00 61.21 H new ATOM 1635 N VAL A 98 4.000 11.737 -5.077 1.00 51.44 N ATOM 1636 CA VAL A 98 4.389 10.432 -5.636 1.00 63.41 C ATOM 1637 C VAL A 98 3.159 9.797 -6.310 1.00 30.21 C ATOM 1638 O VAL A 98 3.250 9.230 -7.399 1.00 25.23 O ATOM 1639 CB VAL A 98 5.005 9.553 -4.533 1.00 65.11 C ATOM 1640 CG1 VAL A 98 5.317 8.137 -5.044 1.00 5.23 C ATOM 1641 CG2 VAL A 98 6.319 10.187 -4.050 1.00 4.01 C ATOM 0 H VAL A 98 4.110 11.823 -4.067 1.00 51.44 H new ATOM 0 HA VAL A 98 5.158 10.545 -6.400 1.00 63.41 H new ATOM 0 HB VAL A 98 4.279 9.484 -3.722 1.00 65.11 H new ATOM 0 HG11 VAL A 98 5.751 7.546 -4.237 1.00 5.23 H new ATOM 0 HG12 VAL A 98 4.397 7.663 -5.387 1.00 5.23 H new ATOM 0 HG13 VAL A 98 6.025 8.196 -5.871 1.00 5.23 H new ATOM 0 HG21 VAL A 98 6.757 9.566 -3.269 1.00 4.01 H new ATOM 0 HG22 VAL A 98 7.015 10.263 -4.886 1.00 4.01 H new ATOM 0 HG23 VAL A 98 6.118 11.182 -3.653 1.00 4.01 H new ATOM 1651 N TYR A 99 2.006 9.921 -5.661 1.00 23.23 N ATOM 1652 CA TYR A 99 0.712 9.438 -6.095 1.00 54.01 C ATOM 1653 C TYR A 99 0.389 10.035 -7.447 1.00 64.52 C ATOM 1654 O TYR A 99 0.240 9.278 -8.407 1.00 12.12 O ATOM 1655 CB TYR A 99 -0.274 9.839 -5.012 1.00 64.40 C ATOM 1656 CG TYR A 99 -1.750 9.886 -5.299 1.00 13.24 C ATOM 1657 CD1 TYR A 99 -2.484 8.696 -5.404 1.00 65.31 C ATOM 1658 CD2 TYR A 99 -2.414 11.126 -5.235 1.00 52.41 C ATOM 1659 CE1 TYR A 99 -3.882 8.731 -5.374 1.00 43.04 C ATOM 1660 CE2 TYR A 99 -3.814 11.174 -5.210 1.00 21.25 C ATOM 1661 CZ TYR A 99 -4.549 9.972 -5.265 1.00 21.32 C ATOM 1662 OH TYR A 99 -5.902 10.008 -5.210 1.00 64.34 O ATOM 0 H TYR A 99 1.954 10.394 -4.759 1.00 23.23 H new ATOM 0 HA TYR A 99 0.678 8.356 -6.225 1.00 54.01 H new ATOM 0 HB2 TYR A 99 -0.131 9.153 -4.177 1.00 64.40 H new ATOM 0 HB3 TYR A 99 0.017 10.830 -4.664 1.00 64.40 H new ATOM 0 HD1 TYR A 99 -1.970 7.752 -5.508 1.00 65.31 H new ATOM 0 HD2 TYR A 99 -1.843 12.042 -5.205 1.00 52.41 H new ATOM 0 HE1 TYR A 99 -4.449 7.814 -5.434 1.00 43.04 H new ATOM 0 HE2 TYR A 99 -4.326 12.123 -5.149 1.00 21.25 H new ATOM 0 HH TYR A 99 -6.202 10.938 -5.135 1.00 64.34 H new ATOM 1672 N GLU A 100 0.315 11.365 -7.560 1.00 53.03 N ATOM 1673 CA GLU A 100 0.007 11.925 -8.878 1.00 23.33 C ATOM 1674 C GLU A 100 1.120 11.671 -9.920 1.00 34.54 C ATOM 1675 O GLU A 100 0.853 11.779 -11.116 1.00 64.40 O ATOM 1676 CB GLU A 100 -0.423 13.396 -8.794 1.00 70.54 C ATOM 1677 CG GLU A 100 0.539 14.258 -7.983 1.00 42.11 C ATOM 1678 CD GLU A 100 0.220 15.745 -8.094 1.00 31.52 C ATOM 1679 OE1 GLU A 100 0.685 16.396 -9.063 1.00 10.11 O ATOM 1680 OE2 GLU A 100 -0.524 16.247 -7.214 1.00 50.12 O ATOM 0 H GLU A 100 0.454 12.038 -6.806 1.00 53.03 H new ATOM 0 HA GLU A 100 -0.858 11.377 -9.251 1.00 23.33 H new ATOM 0 HB2 GLU A 100 -0.503 13.803 -9.802 1.00 70.54 H new ATOM 0 HB3 GLU A 100 -1.416 13.453 -8.348 1.00 70.54 H new ATOM 0 HG2 GLU A 100 0.498 13.957 -6.936 1.00 42.11 H new ATOM 0 HG3 GLU A 100 1.558 14.081 -8.326 1.00 42.11 H new ATOM 1687 N SER A 101 2.334 11.288 -9.500 1.00 71.30 N ATOM 1688 CA SER A 101 3.472 11.006 -10.369 1.00 42.30 C ATOM 1689 C SER A 101 3.511 9.565 -10.885 1.00 53.10 C ATOM 1690 O SER A 101 4.099 9.322 -11.944 1.00 71.43 O ATOM 1691 CB SER A 101 4.760 11.366 -9.592 1.00 5.44 C ATOM 1692 OG SER A 101 5.986 11.086 -10.250 1.00 4.03 O ATOM 0 H SER A 101 2.552 11.163 -8.511 1.00 71.30 H new ATOM 0 HA SER A 101 3.379 11.615 -11.268 1.00 42.30 H new ATOM 0 HB2 SER A 101 4.732 12.430 -9.357 1.00 5.44 H new ATOM 0 HB3 SER A 101 4.750 10.829 -8.643 1.00 5.44 H new ATOM 0 HG SER A 101 6.734 11.352 -9.675 1.00 4.03 H new ATOM 1698 N GLU A 102 2.853 8.610 -10.228 1.00 14.25 N ATOM 1699 CA GLU A 102 2.856 7.202 -10.647 1.00 50.22 C ATOM 1700 C GLU A 102 1.467 6.558 -10.677 1.00 22.34 C ATOM 1701 O GLU A 102 1.359 5.351 -10.905 1.00 32.54 O ATOM 1702 CB GLU A 102 3.851 6.450 -9.746 1.00 65.50 C ATOM 1703 CG GLU A 102 5.314 6.689 -10.138 1.00 45.33 C ATOM 1704 CD GLU A 102 5.790 5.770 -11.267 1.00 61.20 C ATOM 1705 OE1 GLU A 102 5.200 5.752 -12.374 1.00 63.23 O ATOM 1706 OE2 GLU A 102 6.800 5.050 -11.080 1.00 31.43 O ATOM 0 H GLU A 102 2.301 8.788 -9.389 1.00 14.25 H new ATOM 0 HA GLU A 102 3.177 7.142 -11.687 1.00 50.22 H new ATOM 0 HB2 GLU A 102 3.702 6.761 -8.712 1.00 65.50 H new ATOM 0 HB3 GLU A 102 3.638 5.382 -9.792 1.00 65.50 H new ATOM 0 HG2 GLU A 102 5.437 7.727 -10.446 1.00 45.33 H new ATOM 0 HG3 GLU A 102 5.948 6.539 -9.264 1.00 45.33 H new ATOM 1713 N LYS A 103 0.401 7.348 -10.508 1.00 72.54 N ATOM 1714 CA LYS A 103 -0.970 6.818 -10.505 1.00 22.24 C ATOM 1715 C LYS A 103 -1.350 6.002 -11.745 1.00 3.21 C ATOM 1716 O LYS A 103 -1.019 6.360 -12.879 1.00 50.31 O ATOM 1717 CB LYS A 103 -2.011 7.907 -10.191 1.00 73.43 C ATOM 1718 CG LYS A 103 -1.939 9.236 -10.969 1.00 3.43 C ATOM 1719 CD LYS A 103 -2.652 9.251 -12.330 1.00 63.31 C ATOM 1720 CE LYS A 103 -2.668 10.698 -12.837 1.00 71.21 C ATOM 1721 NZ LYS A 103 -3.419 10.872 -14.100 1.00 21.21 N ATOM 0 H LYS A 103 0.460 8.357 -10.371 1.00 72.54 H new ATOM 0 HA LYS A 103 -0.981 6.097 -9.688 1.00 22.24 H new ATOM 0 HB2 LYS A 103 -3.000 7.479 -10.356 1.00 73.43 H new ATOM 0 HB3 LYS A 103 -1.938 8.140 -9.129 1.00 73.43 H new ATOM 0 HG2 LYS A 103 -2.366 10.023 -10.347 1.00 3.43 H new ATOM 0 HG3 LYS A 103 -0.890 9.487 -11.126 1.00 3.43 H new ATOM 0 HD2 LYS A 103 -2.135 8.604 -13.039 1.00 63.31 H new ATOM 0 HD3 LYS A 103 -3.668 8.869 -12.233 1.00 63.31 H new ATOM 0 HE2 LYS A 103 -3.107 11.338 -12.071 1.00 71.21 H new ATOM 0 HE3 LYS A 103 -1.642 11.035 -12.984 1.00 71.21 H new ATOM 0 HZ1 LYS A 103 -3.390 11.871 -14.386 1.00 21.21 H new ATOM 0 HZ2 LYS A 103 -2.988 10.286 -14.844 1.00 21.21 H new ATOM 0 HZ3 LYS A 103 -4.407 10.581 -13.959 1.00 21.21 H new ATOM 1735 N ASP A 104 -2.098 4.926 -11.504 1.00 70.13 N ATOM 1736 CA ASP A 104 -2.612 3.989 -12.500 1.00 33.31 C ATOM 1737 C ASP A 104 -3.878 4.548 -13.156 1.00 30.34 C ATOM 1738 O ASP A 104 -4.390 5.599 -12.757 1.00 30.23 O ATOM 1739 CB ASP A 104 -3.029 2.696 -11.766 1.00 43.23 C ATOM 1740 CG ASP A 104 -3.196 1.491 -12.689 1.00 45.23 C ATOM 1741 OD1 ASP A 104 -2.184 0.852 -13.044 1.00 11.12 O ATOM 1742 OD2 ASP A 104 -4.349 1.170 -13.058 1.00 45.21 O ATOM 0 H ASP A 104 -2.376 4.671 -10.556 1.00 70.13 H new ATOM 0 HA ASP A 104 -1.843 3.814 -13.252 1.00 33.31 H new ATOM 0 HB2 ASP A 104 -2.281 2.461 -11.009 1.00 43.23 H new ATOM 0 HB3 ASP A 104 -3.968 2.873 -11.242 1.00 43.23 H new ATOM 1747 N GLU A 105 -4.397 3.862 -14.176 1.00 5.45 N ATOM 1748 CA GLU A 105 -5.644 4.242 -14.835 1.00 64.42 C ATOM 1749 C GLU A 105 -6.769 4.092 -13.794 1.00 70.30 C ATOM 1750 O GLU A 105 -7.748 4.836 -13.817 1.00 62.24 O ATOM 1751 CB GLU A 105 -5.874 3.336 -16.056 1.00 44.11 C ATOM 1752 CG GLU A 105 -7.319 3.399 -16.562 1.00 62.21 C ATOM 1753 CD GLU A 105 -7.473 2.776 -17.948 1.00 12.23 C ATOM 1754 OE1 GLU A 105 -7.432 1.529 -18.062 1.00 65.14 O ATOM 1755 OE2 GLU A 105 -7.607 3.559 -18.917 1.00 3.14 O ATOM 0 H GLU A 105 -3.962 3.026 -14.568 1.00 5.45 H new ATOM 0 HA GLU A 105 -5.615 5.270 -15.197 1.00 64.42 H new ATOM 0 HB2 GLU A 105 -5.197 3.632 -16.858 1.00 44.11 H new ATOM 0 HB3 GLU A 105 -5.628 2.307 -15.794 1.00 44.11 H new ATOM 0 HG2 GLU A 105 -7.971 2.882 -15.859 1.00 62.21 H new ATOM 0 HG3 GLU A 105 -7.646 4.438 -16.594 1.00 62.21 H new ATOM 1762 N ASP A 106 -6.604 3.163 -12.844 1.00 61.52 N ATOM 1763 CA ASP A 106 -7.561 2.896 -11.764 1.00 23.55 C ATOM 1764 C ASP A 106 -7.541 4.093 -10.796 1.00 14.01 C ATOM 1765 O ASP A 106 -8.510 4.408 -10.108 1.00 31.35 O ATOM 1766 CB ASP A 106 -7.052 1.641 -11.025 1.00 62.21 C ATOM 1767 CG ASP A 106 -8.061 0.624 -10.507 1.00 2.04 C ATOM 1768 OD1 ASP A 106 -9.088 1.020 -9.932 1.00 22.44 O ATOM 1769 OD2 ASP A 106 -7.697 -0.582 -10.588 1.00 42.13 O ATOM 0 H ASP A 106 -5.781 2.562 -12.805 1.00 61.52 H new ATOM 0 HA ASP A 106 -8.573 2.748 -12.142 1.00 23.55 H new ATOM 0 HB2 ASP A 106 -6.373 1.117 -11.698 1.00 62.21 H new ATOM 0 HB3 ASP A 106 -6.460 1.979 -10.174 1.00 62.21 H new ATOM 1774 N GLY A 107 -6.394 4.781 -10.751 1.00 42.30 N ATOM 1775 CA GLY A 107 -6.070 5.932 -9.922 1.00 33.15 C ATOM 1776 C GLY A 107 -5.286 5.501 -8.676 1.00 44.00 C ATOM 1777 O GLY A 107 -4.889 6.354 -7.879 1.00 45.00 O ATOM 0 H GLY A 107 -5.608 4.519 -11.346 1.00 42.30 H new ATOM 0 HA2 GLY A 107 -5.482 6.647 -10.498 1.00 33.15 H new ATOM 0 HA3 GLY A 107 -6.987 6.440 -9.623 1.00 33.15 H new ATOM 1781 N PHE A 108 -5.078 4.193 -8.492 1.00 71.13 N ATOM 1782 CA PHE A 108 -4.343 3.578 -7.393 1.00 12.41 C ATOM 1783 C PHE A 108 -2.848 3.853 -7.558 1.00 34.15 C ATOM 1784 O PHE A 108 -2.377 3.979 -8.692 1.00 14.35 O ATOM 1785 CB PHE A 108 -4.529 2.039 -7.457 1.00 73.11 C ATOM 1786 CG PHE A 108 -5.191 1.396 -6.258 1.00 75.11 C ATOM 1787 CD1 PHE A 108 -4.775 1.728 -4.958 1.00 64.51 C ATOM 1788 CD2 PHE A 108 -6.199 0.431 -6.438 1.00 15.12 C ATOM 1789 CE1 PHE A 108 -5.410 1.165 -3.843 1.00 22.55 C ATOM 1790 CE2 PHE A 108 -6.840 -0.137 -5.324 1.00 4.41 C ATOM 1791 CZ PHE A 108 -6.468 0.262 -4.029 1.00 60.41 C ATOM 0 H PHE A 108 -5.441 3.500 -9.146 1.00 71.13 H new ATOM 0 HA PHE A 108 -4.712 3.985 -6.452 1.00 12.41 H new ATOM 0 HB2 PHE A 108 -5.119 1.802 -8.342 1.00 73.11 H new ATOM 0 HB3 PHE A 108 -3.550 1.581 -7.594 1.00 73.11 H new ATOM 0 HD1 PHE A 108 -3.960 2.422 -4.817 1.00 64.51 H new ATOM 0 HD2 PHE A 108 -6.481 0.126 -7.435 1.00 15.12 H new ATOM 0 HE1 PHE A 108 -5.087 1.425 -2.846 1.00 22.55 H new ATOM 0 HE2 PHE A 108 -7.615 -0.877 -5.462 1.00 4.41 H new ATOM 0 HZ PHE A 108 -6.999 -0.128 -3.173 1.00 60.41 H new ATOM 1801 N LEU A 109 -2.097 3.886 -6.451 1.00 10.25 N ATOM 1802 CA LEU A 109 -0.644 4.083 -6.502 1.00 32.21 C ATOM 1803 C LEU A 109 -0.026 2.715 -6.202 1.00 14.44 C ATOM 1804 O LEU A 109 -0.289 2.170 -5.130 1.00 53.40 O ATOM 1805 CB LEU A 109 -0.248 5.179 -5.510 1.00 43.41 C ATOM 1806 CG LEU A 109 1.205 5.676 -5.563 1.00 21.22 C ATOM 1807 CD1 LEU A 109 2.195 4.728 -4.901 1.00 45.44 C ATOM 1808 CD2 LEU A 109 1.675 6.006 -6.978 1.00 74.14 C ATOM 0 H LEU A 109 -2.472 3.779 -5.509 1.00 10.25 H new ATOM 0 HA LEU A 109 -0.282 4.427 -7.471 1.00 32.21 H new ATOM 0 HB2 LEU A 109 -0.905 6.034 -5.670 1.00 43.41 H new ATOM 0 HB3 LEU A 109 -0.444 4.811 -4.503 1.00 43.41 H new ATOM 0 HG LEU A 109 1.189 6.600 -4.985 1.00 21.22 H new ATOM 0 HD11 LEU A 109 3.201 5.142 -4.976 1.00 45.44 H new ATOM 0 HD12 LEU A 109 1.931 4.602 -3.851 1.00 45.44 H new ATOM 0 HD13 LEU A 109 2.163 3.760 -5.402 1.00 45.44 H new ATOM 0 HD21 LEU A 109 2.708 6.351 -6.947 1.00 74.14 H new ATOM 0 HD22 LEU A 109 1.609 5.114 -7.601 1.00 74.14 H new ATOM 0 HD23 LEU A 109 1.043 6.789 -7.398 1.00 74.14 H new ATOM 1820 N TYR A 110 0.699 2.105 -7.139 1.00 61.51 N ATOM 1821 CA TYR A 110 1.303 0.786 -6.937 1.00 74.54 C ATOM 1822 C TYR A 110 2.687 0.897 -6.291 1.00 24.35 C ATOM 1823 O TYR A 110 3.494 1.743 -6.663 1.00 71.44 O ATOM 1824 CB TYR A 110 1.402 0.028 -8.278 1.00 31.53 C ATOM 1825 CG TYR A 110 0.164 -0.729 -8.758 1.00 35.42 C ATOM 1826 CD1 TYR A 110 -1.090 -0.092 -8.882 1.00 60.54 C ATOM 1827 CD2 TYR A 110 0.300 -2.062 -9.200 1.00 21.31 C ATOM 1828 CE1 TYR A 110 -2.190 -0.776 -9.438 1.00 42.12 C ATOM 1829 CE2 TYR A 110 -0.793 -2.751 -9.759 1.00 71.32 C ATOM 1830 CZ TYR A 110 -2.045 -2.109 -9.889 1.00 51.44 C ATOM 1831 OH TYR A 110 -3.085 -2.766 -10.484 1.00 4.05 O ATOM 0 H TYR A 110 0.885 2.509 -8.057 1.00 61.51 H new ATOM 0 HA TYR A 110 0.659 0.227 -6.259 1.00 74.54 H new ATOM 0 HB2 TYR A 110 1.676 0.747 -9.050 1.00 31.53 H new ATOM 0 HB3 TYR A 110 2.222 -0.685 -8.201 1.00 31.53 H new ATOM 0 HD1 TYR A 110 -1.207 0.928 -8.548 1.00 60.54 H new ATOM 0 HD2 TYR A 110 1.254 -2.560 -9.108 1.00 21.31 H new ATOM 0 HE1 TYR A 110 -3.146 -0.281 -9.520 1.00 42.12 H new ATOM 0 HE2 TYR A 110 -0.674 -3.772 -10.089 1.00 71.32 H new ATOM 0 HH TYR A 110 -2.802 -3.671 -10.730 1.00 4.05 H new ATOM 1841 N MET A 111 3.003 0.028 -5.328 1.00 52.34 N ATOM 1842 CA MET A 111 4.290 -0.009 -4.646 1.00 1.04 C ATOM 1843 C MET A 111 4.611 -1.468 -4.319 1.00 63.10 C ATOM 1844 O MET A 111 3.715 -2.294 -4.104 1.00 14.12 O ATOM 1845 CB MET A 111 4.335 0.858 -3.370 1.00 4.05 C ATOM 1846 CG MET A 111 3.854 2.298 -3.583 1.00 24.24 C ATOM 1847 SD MET A 111 4.154 3.515 -2.262 1.00 40.01 S ATOM 1848 CE MET A 111 3.470 2.672 -0.821 1.00 31.22 C ATOM 0 H MET A 111 2.353 -0.684 -4.996 1.00 52.34 H new ATOM 0 HA MET A 111 5.040 0.418 -5.312 1.00 1.04 H new ATOM 0 HB2 MET A 111 3.720 0.389 -2.602 1.00 4.05 H new ATOM 0 HB3 MET A 111 5.357 0.878 -2.992 1.00 4.05 H new ATOM 0 HG2 MET A 111 4.322 2.673 -4.493 1.00 24.24 H new ATOM 0 HG3 MET A 111 2.780 2.266 -3.767 1.00 24.24 H new ATOM 0 HE1 MET A 111 3.291 3.397 -0.027 1.00 31.22 H new ATOM 0 HE2 MET A 111 2.530 2.192 -1.093 1.00 31.22 H new ATOM 0 HE3 MET A 111 4.175 1.918 -0.472 1.00 31.22 H new ATOM 1858 N VAL A 112 5.894 -1.816 -4.324 1.00 11.44 N ATOM 1859 CA VAL A 112 6.381 -3.158 -4.026 1.00 21.41 C ATOM 1860 C VAL A 112 7.614 -3.045 -3.138 1.00 51.34 C ATOM 1861 O VAL A 112 8.286 -2.020 -3.197 1.00 73.42 O ATOM 1862 CB VAL A 112 6.619 -3.978 -5.316 1.00 54.43 C ATOM 1863 CG1 VAL A 112 5.287 -4.320 -6.007 1.00 0.44 C ATOM 1864 CG2 VAL A 112 7.508 -3.307 -6.358 1.00 64.32 C ATOM 0 H VAL A 112 6.642 -1.157 -4.541 1.00 11.44 H new ATOM 0 HA VAL A 112 5.623 -3.717 -3.477 1.00 21.41 H new ATOM 0 HB VAL A 112 7.138 -4.868 -4.961 1.00 54.43 H new ATOM 0 HG11 VAL A 112 5.484 -4.897 -6.911 1.00 0.44 H new ATOM 0 HG12 VAL A 112 4.666 -4.907 -5.330 1.00 0.44 H new ATOM 0 HG13 VAL A 112 4.767 -3.399 -6.270 1.00 0.44 H new ATOM 0 HG21 VAL A 112 7.613 -3.962 -7.223 1.00 64.32 H new ATOM 0 HG22 VAL A 112 7.057 -2.365 -6.669 1.00 64.32 H new ATOM 0 HG23 VAL A 112 8.491 -3.114 -5.928 1.00 64.32 H new ATOM 1874 N TYR A 113 7.929 -4.051 -2.320 1.00 33.12 N ATOM 1875 CA TYR A 113 9.105 -3.970 -1.444 1.00 3.34 C ATOM 1876 C TYR A 113 9.968 -5.225 -1.471 1.00 11.25 C ATOM 1877 O TYR A 113 9.447 -6.323 -1.703 1.00 43.34 O ATOM 1878 CB TYR A 113 8.669 -3.647 -0.009 1.00 24.13 C ATOM 1879 CG TYR A 113 7.985 -4.778 0.742 1.00 42.10 C ATOM 1880 CD1 TYR A 113 6.601 -4.987 0.599 1.00 32.21 C ATOM 1881 CD2 TYR A 113 8.736 -5.622 1.586 1.00 52.34 C ATOM 1882 CE1 TYR A 113 5.964 -6.022 1.307 1.00 4.01 C ATOM 1883 CE2 TYR A 113 8.109 -6.666 2.291 1.00 41.14 C ATOM 1884 CZ TYR A 113 6.717 -6.866 2.156 1.00 51.13 C ATOM 1885 OH TYR A 113 6.091 -7.873 2.821 1.00 35.21 O ATOM 0 H TYR A 113 7.398 -4.919 -2.244 1.00 33.12 H new ATOM 0 HA TYR A 113 9.729 -3.165 -1.831 1.00 3.34 H new ATOM 0 HB2 TYR A 113 9.548 -3.338 0.557 1.00 24.13 H new ATOM 0 HB3 TYR A 113 7.992 -2.793 -0.038 1.00 24.13 H new ATOM 0 HD1 TYR A 113 6.026 -4.350 -0.057 1.00 32.21 H new ATOM 0 HD2 TYR A 113 9.799 -5.466 1.692 1.00 52.34 H new ATOM 0 HE1 TYR A 113 4.900 -6.172 1.202 1.00 4.01 H new ATOM 0 HE2 TYR A 113 8.690 -7.312 2.933 1.00 41.14 H new ATOM 0 HH TYR A 113 6.727 -8.313 3.423 1.00 35.21 H new ATOM 1895 N ALA A 114 11.271 -5.046 -1.207 1.00 34.25 N ATOM 1896 CA ALA A 114 12.258 -6.123 -1.157 1.00 63.41 C ATOM 1897 C ALA A 114 13.520 -5.675 -0.400 1.00 51.12 C ATOM 1898 O ALA A 114 13.691 -4.489 -0.099 1.00 24.34 O ATOM 1899 CB ALA A 114 12.660 -6.521 -2.585 1.00 53.40 C ATOM 0 H ALA A 114 11.671 -4.127 -1.019 1.00 34.25 H new ATOM 0 HA ALA A 114 11.810 -6.970 -0.637 1.00 63.41 H new ATOM 0 HB1 ALA A 114 13.396 -7.324 -2.545 1.00 53.40 H new ATOM 0 HB2 ALA A 114 11.779 -6.862 -3.129 1.00 53.40 H new ATOM 0 HB3 ALA A 114 13.090 -5.659 -3.095 1.00 53.40 H new ATOM 1905 N SER A 115 14.444 -6.605 -0.162 1.00 44.13 N ATOM 1906 CA SER A 115 15.707 -6.383 0.517 1.00 3.33 C ATOM 1907 C SER A 115 16.811 -6.527 -0.533 1.00 43.01 C ATOM 1908 O SER A 115 17.580 -7.488 -0.544 1.00 55.34 O ATOM 1909 CB SER A 115 15.782 -7.426 1.643 1.00 74.44 C ATOM 1910 OG SER A 115 16.892 -7.283 2.517 1.00 54.20 O ATOM 0 H SER A 115 14.321 -7.575 -0.453 1.00 44.13 H new ATOM 0 HA SER A 115 15.814 -5.396 0.966 1.00 3.33 H new ATOM 0 HB2 SER A 115 14.866 -7.371 2.231 1.00 74.44 H new ATOM 0 HB3 SER A 115 15.815 -8.420 1.196 1.00 74.44 H new ATOM 0 HG SER A 115 17.015 -6.336 2.737 1.00 54.20 H new ATOM 1916 N GLN A 116 16.944 -5.491 -1.358 1.00 14.12 N ATOM 1917 CA GLN A 116 17.915 -5.353 -2.436 1.00 34.32 C ATOM 1918 C GLN A 116 17.708 -3.928 -2.933 1.00 60.44 C ATOM 1919 O GLN A 116 16.556 -3.531 -3.138 1.00 60.20 O ATOM 1920 CB GLN A 116 17.623 -6.380 -3.541 1.00 71.30 C ATOM 1921 CG GLN A 116 18.743 -6.457 -4.580 1.00 24.12 C ATOM 1922 CD GLN A 116 18.441 -7.573 -5.574 1.00 35.35 C ATOM 1923 OE1 GLN A 116 18.725 -8.742 -5.338 1.00 74.20 O ATOM 1924 NE2 GLN A 116 17.789 -7.270 -6.685 1.00 74.50 N ATOM 0 H GLN A 116 16.337 -4.675 -1.285 1.00 14.12 H new ATOM 0 HA GLN A 116 18.943 -5.532 -2.119 1.00 34.32 H new ATOM 0 HB2 GLN A 116 17.481 -7.363 -3.091 1.00 71.30 H new ATOM 0 HB3 GLN A 116 16.688 -6.119 -4.038 1.00 71.30 H new ATOM 0 HG2 GLN A 116 18.834 -5.505 -5.103 1.00 24.12 H new ATOM 0 HG3 GLN A 116 19.698 -6.643 -4.088 1.00 24.12 H new ATOM 0 HE21 GLN A 116 17.550 -6.299 -6.887 1.00 74.50 H new ATOM 0 HE22 GLN A 116 17.526 -8.007 -7.339 1.00 74.50 H new ATOM 1933 N GLU A 117 18.780 -3.161 -3.106 1.00 73.21 N ATOM 1934 CA GLU A 117 18.674 -1.780 -3.549 1.00 44.14 C ATOM 1935 C GLU A 117 18.519 -1.673 -5.064 1.00 71.41 C ATOM 1936 O GLU A 117 17.692 -0.884 -5.529 1.00 0.15 O ATOM 1937 CB GLU A 117 19.879 -0.977 -3.039 1.00 75.20 C ATOM 1938 CG GLU A 117 19.603 0.527 -3.165 1.00 60.52 C ATOM 1939 CD GLU A 117 20.606 1.357 -2.372 1.00 75.31 C ATOM 1940 OE1 GLU A 117 21.760 1.513 -2.821 1.00 3.11 O ATOM 1941 OE2 GLU A 117 20.235 1.952 -1.333 1.00 60.40 O ATOM 0 H GLU A 117 19.736 -3.477 -2.944 1.00 73.21 H new ATOM 0 HA GLU A 117 17.767 -1.352 -3.122 1.00 44.14 H new ATOM 0 HB2 GLU A 117 20.081 -1.231 -1.999 1.00 75.20 H new ATOM 0 HB3 GLU A 117 20.769 -1.240 -3.610 1.00 75.20 H new ATOM 0 HG2 GLU A 117 19.642 0.817 -4.215 1.00 60.52 H new ATOM 0 HG3 GLU A 117 18.594 0.742 -2.812 1.00 60.52 H new ATOM 1948 N THR A 118 19.249 -2.482 -5.836 1.00 1.45 N ATOM 1949 CA THR A 118 19.188 -2.447 -7.293 1.00 24.54 C ATOM 1950 C THR A 118 18.464 -3.699 -7.789 1.00 33.21 C ATOM 1951 O THR A 118 18.855 -4.829 -7.475 1.00 71.24 O ATOM 1952 CB THR A 118 20.594 -2.212 -7.877 1.00 52.41 C ATOM 1953 OG1 THR A 118 21.484 -3.270 -7.582 1.00 72.51 O ATOM 1954 CG2 THR A 118 21.202 -0.901 -7.352 1.00 31.34 C ATOM 0 H THR A 118 19.897 -3.177 -5.466 1.00 1.45 H new ATOM 0 HA THR A 118 18.600 -1.603 -7.654 1.00 24.54 H new ATOM 0 HB THR A 118 20.463 -2.156 -8.958 1.00 52.41 H new ATOM 0 HG1 THR A 118 20.973 -4.066 -7.325 1.00 72.51 H new ATOM 0 HG21 THR A 118 22.194 -0.762 -7.782 1.00 31.34 H new ATOM 0 HG22 THR A 118 20.564 -0.064 -7.636 1.00 31.34 H new ATOM 0 HG23 THR A 118 21.280 -0.945 -6.266 1.00 31.34 H new ATOM 1962 N PHE A 119 17.325 -3.515 -8.455 1.00 42.44 N ATOM 1963 CA PHE A 119 16.528 -4.610 -8.996 1.00 71.20 C ATOM 1964 C PHE A 119 17.238 -5.281 -10.170 1.00 13.45 C ATOM 1965 O PHE A 119 16.707 -6.319 -10.620 1.00 42.02 O ATOM 1966 CB PHE A 119 15.119 -4.104 -9.354 1.00 13.42 C ATOM 1967 CG PHE A 119 14.066 -4.361 -8.285 1.00 41.40 C ATOM 1968 CD1 PHE A 119 14.392 -4.347 -6.913 1.00 60.44 C ATOM 1969 CD2 PHE A 119 12.751 -4.686 -8.669 1.00 42.20 C ATOM 1970 CE1 PHE A 119 13.424 -4.675 -5.948 1.00 72.43 C ATOM 1971 CE2 PHE A 119 11.786 -5.030 -7.703 1.00 21.21 C ATOM 1972 CZ PHE A 119 12.117 -5.020 -6.337 1.00 41.34 C ATOM 0 H PHE A 119 16.928 -2.593 -8.635 1.00 42.44 H new ATOM 0 HA PHE A 119 16.412 -5.382 -8.236 1.00 71.20 H new ATOM 0 HB2 PHE A 119 15.169 -3.032 -9.546 1.00 13.42 H new ATOM 0 HB3 PHE A 119 14.801 -4.580 -10.282 1.00 13.42 H new ATOM 0 HD1 PHE A 119 15.392 -4.083 -6.602 1.00 60.44 H new ATOM 0 HD2 PHE A 119 12.480 -4.671 -9.714 1.00 42.20 H new ATOM 0 HE1 PHE A 119 13.686 -4.662 -4.900 1.00 72.43 H new ATOM 0 HE2 PHE A 119 10.788 -5.303 -8.013 1.00 21.21 H new ATOM 0 HZ PHE A 119 11.376 -5.275 -5.594 1.00 41.34 H new TER 1982 PHE A 119 ATOM 1983 N ASN B 169 -28.055 -4.276 6.743 1.00 43.40 N ATOM 1984 CA ASN B 169 -28.726 -2.994 7.041 1.00 32.25 C ATOM 1985 C ASN B 169 -28.710 -2.769 8.551 1.00 43.44 C ATOM 1986 O ASN B 169 -27.946 -1.921 9.002 1.00 20.14 O ATOM 1987 CB ASN B 169 -30.121 -2.861 6.400 1.00 35.43 C ATOM 1988 CG ASN B 169 -31.107 -3.926 6.876 1.00 4.54 C ATOM 1989 OD1 ASN B 169 -30.704 -5.013 7.268 1.00 2.33 O ATOM 1990 ND2 ASN B 169 -32.396 -3.632 6.927 1.00 62.14 N ATOM 0 HA ASN B 169 -28.165 -2.187 6.569 1.00 32.25 H new ATOM 0 HB2 ASN B 169 -30.525 -1.874 6.626 1.00 35.43 H new ATOM 0 HB3 ASN B 169 -30.023 -2.924 5.316 1.00 35.43 H new ATOM 0 HD21 ASN B 169 -33.060 -4.313 7.295 1.00 62.14 H new ATOM 0 HD22 ASN B 169 -32.725 -2.724 6.599 1.00 62.14 H new HETATM 1997 N SEP B 170 -29.578 -3.421 9.335 1.00 34.14 N HETATM 1998 CA SEP B 170 -29.584 -3.303 10.791 1.00 53.53 C HETATM 1999 CB SEP B 170 -30.857 -3.941 11.354 1.00 44.10 C HETATM 2000 OG SEP B 170 -30.783 -4.057 12.753 1.00 23.24 O HETATM 2001 C SEP B 170 -28.298 -4.037 11.172 1.00 54.50 C HETATM 2002 O SEP B 170 -27.329 -3.423 11.629 1.00 75.04 O HETATM 2003 P SEP B 170 -31.993 -4.726 13.556 1.00 4.12 P HETATM 2004 O1P SEP B 170 -31.477 -4.703 14.943 1.00 60.13 O HETATM 2005 O2P SEP B 170 -33.122 -3.819 13.280 1.00 75.04 O HETATM 2006 O3P SEP B 170 -32.076 -6.064 12.943 1.00 64.14 O HETATM 0 HB3 SEP B 170 -31.723 -3.338 11.080 1.00 44.10 H new HETATM 0 HB2 SEP B 170 -31.002 -4.926 10.910 1.00 44.10 H new HETATM 0 HA SEP B 170 -29.598 -2.287 11.186 1.00 53.53 H new HETATM 0 H SEP B 170 -30.354 -3.878 8.857 1.00 34.14 H new HETATM 2011 N SEP B 171 -28.243 -5.319 10.803 1.00 41.34 N HETATM 2012 CA SEP B 171 -27.083 -6.158 11.001 1.00 0.21 C HETATM 2013 CB SEP B 171 -27.491 -7.624 10.825 1.00 3.44 C HETATM 2014 OG SEP B 171 -26.339 -8.434 10.893 1.00 73.12 O HETATM 2015 C SEP B 171 -26.071 -5.741 9.919 1.00 1.12 C HETATM 2016 O SEP B 171 -26.453 -5.205 8.867 1.00 1.32 O HETATM 2017 P SEP B 171 -26.074 -9.607 9.850 1.00 44.31 P HETATM 2018 O1P SEP B 171 -26.289 -8.985 8.527 1.00 12.31 O HETATM 2019 O2P SEP B 171 -24.664 -9.936 10.130 1.00 24.35 O HETATM 2020 O3P SEP B 171 -27.066 -10.626 10.253 1.00 35.31 O HETATM 0 HB3 SEP B 171 -28.200 -7.913 11.601 1.00 3.44 H new HETATM 0 HB2 SEP B 171 -27.992 -7.763 9.867 1.00 3.44 H new HETATM 0 HA SEP B 171 -26.654 -6.048 11.997 1.00 0.21 H new HETATM 0 H SEP B 171 -29.146 -5.740 10.584 1.00 41.34 H new ATOM 2025 N GLY B 172 -24.802 -6.051 10.150 1.00 24.13 N ATOM 2026 CA GLY B 172 -23.675 -5.775 9.283 1.00 14.32 C ATOM 2027 C GLY B 172 -22.410 -6.387 9.881 1.00 71.01 C ATOM 2028 O GLY B 172 -22.355 -6.708 11.076 1.00 73.41 O ATOM 0 H GLY B 172 -24.520 -6.533 11.004 1.00 24.13 H new ATOM 0 HA2 GLY B 172 -23.857 -6.187 8.290 1.00 14.32 H new ATOM 0 HA3 GLY B 172 -23.550 -4.699 9.163 1.00 14.32 H new HETATM 2032 N SEP B 173 -21.377 -6.517 9.054 1.00 22.02 N HETATM 2033 CA SEP B 173 -20.077 -7.082 9.390 1.00 22.21 C HETATM 2034 CB SEP B 173 -19.831 -8.307 8.506 1.00 42.34 C HETATM 2035 OG SEP B 173 -18.943 -9.205 9.127 1.00 64.10 O HETATM 2036 C SEP B 173 -18.978 -6.043 9.181 1.00 64.43 C HETATM 2037 O SEP B 173 -19.222 -4.960 8.635 1.00 51.54 O HETATM 2038 P SEP B 173 -18.448 -10.503 8.343 1.00 44.33 P HETATM 2039 O1P SEP B 173 -17.717 -11.231 9.393 1.00 12.11 O HETATM 2040 O2P SEP B 173 -19.707 -11.140 7.912 1.00 13.23 O HETATM 2041 O3P SEP B 173 -17.617 -9.993 7.242 1.00 2.23 O HETATM 0 HB3 SEP B 173 -20.777 -8.808 8.301 1.00 42.34 H new HETATM 0 HB2 SEP B 173 -19.423 -7.991 7.546 1.00 42.34 H new HETATM 0 HA SEP B 173 -20.064 -7.379 10.439 1.00 22.21 H new HETATM 2046 N SEP B 174 -17.785 -6.326 9.691 1.00 52.14 N HETATM 2047 CA SEP B 174 -16.620 -5.470 9.581 1.00 12.35 C HETATM 2048 CB SEP B 174 -16.283 -4.829 10.934 1.00 44.44 C HETATM 2049 OG SEP B 174 -15.142 -3.984 10.877 1.00 23.15 O HETATM 2050 C SEP B 174 -15.517 -6.355 9.022 1.00 54.20 C HETATM 2051 O SEP B 174 -15.319 -7.479 9.493 1.00 1.55 O HETATM 2052 P SEP B 174 -15.131 -2.561 10.139 1.00 55.20 P HETATM 2053 O1P SEP B 174 -13.778 -2.095 10.498 1.00 71.24 O HETATM 2054 O2P SEP B 174 -15.292 -2.882 8.709 1.00 62.31 O HETATM 2055 O3P SEP B 174 -16.247 -1.813 10.756 1.00 31.15 O HETATM 0 HB3 SEP B 174 -17.140 -4.251 11.280 1.00 44.44 H new HETATM 0 HB2 SEP B 174 -16.111 -5.615 11.670 1.00 44.44 H new HETATM 0 HA SEP B 174 -16.779 -4.620 8.917 1.00 12.35 H new ATOM 2060 N GLU B 175 -15.008 -5.956 7.863 1.00 51.54 N ATOM 2061 CA GLU B 175 -13.970 -6.656 7.131 1.00 34.01 C ATOM 2062 C GLU B 175 -12.757 -5.747 7.029 1.00 43.21 C ATOM 2063 O GLU B 175 -12.868 -4.527 7.180 1.00 13.41 O ATOM 2064 CB GLU B 175 -14.482 -6.982 5.718 1.00 60.44 C ATOM 2065 CG GLU B 175 -15.675 -7.947 5.705 1.00 21.15 C ATOM 2066 CD GLU B 175 -16.293 -8.025 4.312 1.00 35.01 C ATOM 2067 OE1 GLU B 175 -15.682 -8.667 3.422 1.00 54.53 O ATOM 2068 OE2 GLU B 175 -17.364 -7.401 4.102 1.00 42.54 O ATOM 0 H GLU B 175 -15.320 -5.106 7.394 1.00 51.54 H new ATOM 0 HA GLU B 175 -13.704 -7.581 7.643 1.00 34.01 H new ATOM 0 HB2 GLU B 175 -14.770 -6.055 5.222 1.00 60.44 H new ATOM 0 HB3 GLU B 175 -13.668 -7.415 5.137 1.00 60.44 H new ATOM 0 HG2 GLU B 175 -15.350 -8.939 6.020 1.00 21.15 H new ATOM 0 HG3 GLU B 175 -16.425 -7.615 6.423 1.00 21.15 H new ATOM 2075 N ASP B 176 -11.584 -6.329 6.811 1.00 63.42 N ATOM 2076 CA ASP B 176 -10.353 -5.572 6.660 1.00 52.54 C ATOM 2077 C ASP B 176 -10.089 -5.458 5.163 1.00 61.42 C ATOM 2078 O ASP B 176 -10.247 -6.437 4.429 1.00 32.24 O ATOM 2079 CB ASP B 176 -9.173 -6.231 7.401 1.00 33.45 C ATOM 2080 CG ASP B 176 -8.201 -6.987 6.489 1.00 42.13 C ATOM 2081 OD1 ASP B 176 -7.457 -6.339 5.719 1.00 75.02 O ATOM 2082 OD2 ASP B 176 -8.106 -8.229 6.590 1.00 43.21 O ATOM 0 H ASP B 176 -11.462 -7.339 6.734 1.00 63.42 H new ATOM 0 HA ASP B 176 -10.456 -4.584 7.109 1.00 52.54 H new ATOM 0 HB2 ASP B 176 -8.622 -5.461 7.941 1.00 33.45 H new ATOM 0 HB3 ASP B 176 -9.567 -6.923 8.146 1.00 33.45 H new HETATM 2087 N SEP B 177 -9.648 -4.284 4.725 1.00 32.03 N HETATM 2088 CA SEP B 177 -9.319 -4.036 3.337 1.00 1.55 C HETATM 2089 CB SEP B 177 -10.495 -3.411 2.584 1.00 51.11 C HETATM 2090 OG SEP B 177 -11.529 -4.364 2.486 1.00 31.35 O HETATM 2091 C SEP B 177 -8.068 -3.184 3.341 1.00 44.44 C HETATM 2092 O SEP B 177 -6.953 -3.707 3.240 1.00 23.14 O HETATM 2093 P SEP B 177 -12.101 -4.876 1.096 1.00 24.02 P HETATM 2094 O1P SEP B 177 -13.398 -5.458 1.460 1.00 13.44 O HETATM 2095 O2P SEP B 177 -12.163 -3.660 0.258 1.00 35.31 O HETATM 2096 O3P SEP B 177 -11.101 -5.862 0.617 1.00 14.45 O HETATM 0 HB3 SEP B 177 -10.849 -2.523 3.107 1.00 51.11 H new HETATM 0 HB2 SEP B 177 -10.180 -3.092 1.590 1.00 51.11 H new HETATM 0 HA SEP B 177 -9.123 -4.961 2.795 1.00 1.55 H new ATOM 2101 N PHE B 178 -8.228 -1.871 3.475 1.00 74.11 N ATOM 2102 CA PHE B 178 -7.092 -0.980 3.508 1.00 64.00 C ATOM 2103 C PHE B 178 -6.592 -0.855 4.936 1.00 22.01 C ATOM 2104 O PHE B 178 -7.301 -1.227 5.871 1.00 11.15 O ATOM 2105 CB PHE B 178 -7.481 0.418 3.017 1.00 12.54 C ATOM 2106 CG PHE B 178 -7.829 0.533 1.551 1.00 42.42 C ATOM 2107 CD1 PHE B 178 -9.067 0.055 1.090 1.00 71.21 C ATOM 2108 CD2 PHE B 178 -6.966 1.207 0.661 1.00 14.32 C ATOM 2109 CE1 PHE B 178 -9.438 0.257 -0.245 1.00 73.32 C ATOM 2110 CE2 PHE B 178 -7.345 1.402 -0.678 1.00 62.44 C ATOM 2111 CZ PHE B 178 -8.587 0.929 -1.133 1.00 40.12 C ATOM 0 H PHE B 178 -9.133 -1.409 3.562 1.00 74.11 H new ATOM 0 HA PHE B 178 -6.319 -1.391 2.859 1.00 64.00 H new ATOM 0 HB2 PHE B 178 -8.335 0.762 3.601 1.00 12.54 H new ATOM 0 HB3 PHE B 178 -6.656 1.098 3.228 1.00 12.54 H new ATOM 0 HD1 PHE B 178 -9.731 -0.467 1.763 1.00 71.21 H new ATOM 0 HD2 PHE B 178 -6.012 1.574 1.010 1.00 14.32 H new ATOM 0 HE1 PHE B 178 -10.392 -0.110 -0.595 1.00 73.32 H new ATOM 0 HE2 PHE B 178 -6.681 1.916 -1.358 1.00 62.44 H new ATOM 0 HZ PHE B 178 -8.884 1.082 -2.160 1.00 40.12 H new ATOM 2121 N VAL B 179 -5.389 -0.311 5.110 1.00 63.44 N ATOM 2122 CA VAL B 179 -4.831 -0.064 6.432 1.00 0.35 C ATOM 2123 C VAL B 179 -4.318 1.381 6.498 1.00 44.10 C ATOM 2124 O VAL B 179 -3.377 1.761 5.793 1.00 75.30 O ATOM 2125 CB VAL B 179 -3.869 -1.177 6.869 1.00 23.01 C ATOM 2126 CG1 VAL B 179 -2.560 -1.247 6.076 1.00 13.22 C ATOM 2127 CG2 VAL B 179 -3.596 -1.070 8.372 1.00 71.24 C ATOM 0 H VAL B 179 -4.779 -0.032 4.342 1.00 63.44 H new ATOM 0 HA VAL B 179 -5.599 -0.126 7.203 1.00 0.35 H new ATOM 0 HB VAL B 179 -4.377 -2.115 6.645 1.00 23.01 H new ATOM 0 HG11 VAL B 179 -1.947 -2.063 6.457 1.00 13.22 H new ATOM 0 HG12 VAL B 179 -2.781 -1.421 5.023 1.00 13.22 H new ATOM 0 HG13 VAL B 179 -2.019 -0.307 6.183 1.00 13.22 H new ATOM 0 HG21 VAL B 179 -2.912 -1.863 8.675 1.00 71.24 H new ATOM 0 HG22 VAL B 179 -3.148 -0.101 8.592 1.00 71.24 H new ATOM 0 HG23 VAL B 179 -4.533 -1.170 8.920 1.00 71.24 H new ATOM 2137 N GLU B 180 -4.932 2.216 7.334 1.00 11.11 N ATOM 2138 CA GLU B 180 -4.575 3.619 7.531 1.00 42.13 C ATOM 2139 C GLU B 180 -3.307 3.692 8.371 1.00 61.12 C ATOM 2140 O GLU B 180 -3.141 2.919 9.319 1.00 34.14 O ATOM 2141 CB GLU B 180 -5.686 4.435 8.228 1.00 71.30 C ATOM 2142 CG GLU B 180 -7.121 4.214 7.722 1.00 63.13 C ATOM 2143 CD GLU B 180 -7.741 2.944 8.312 1.00 32.34 C ATOM 2144 OE1 GLU B 180 -8.214 2.988 9.473 1.00 42.33 O ATOM 2145 OE2 GLU B 180 -7.625 1.866 7.693 1.00 31.34 O ATOM 0 H GLU B 180 -5.719 1.924 7.913 1.00 11.11 H new ATOM 0 HA GLU B 180 -4.426 4.056 6.544 1.00 42.13 H new ATOM 0 HB2 GLU B 180 -5.661 4.205 9.293 1.00 71.30 H new ATOM 0 HB3 GLU B 180 -5.447 5.494 8.125 1.00 71.30 H new ATOM 0 HG2 GLU B 180 -7.736 5.075 7.985 1.00 63.13 H new ATOM 0 HG3 GLU B 180 -7.117 4.145 6.634 1.00 63.13 H new ATOM 2152 N ILE B 181 -2.447 4.678 8.118 1.00 32.43 N ATOM 2153 CA ILE B 181 -1.206 4.806 8.876 1.00 61.42 C ATOM 2154 C ILE B 181 -1.460 5.395 10.265 1.00 23.33 C ATOM 2155 O ILE B 181 -2.498 6.001 10.526 1.00 32.21 O ATOM 2156 CB ILE B 181 -0.243 5.663 8.028 1.00 11.22 C ATOM 2157 CG1 ILE B 181 0.335 4.710 6.964 1.00 1.04 C ATOM 2158 CG2 ILE B 181 0.849 6.402 8.822 1.00 42.22 C ATOM 2159 CD1 ILE B 181 1.418 5.361 6.142 1.00 21.11 C ATOM 0 H ILE B 181 -2.585 5.392 7.402 1.00 32.43 H new ATOM 0 HA ILE B 181 -0.757 3.830 9.060 1.00 61.42 H new ATOM 0 HB ILE B 181 -0.793 6.491 7.580 1.00 11.22 H new ATOM 0 HG12 ILE B 181 0.737 3.823 7.454 1.00 1.04 H new ATOM 0 HG13 ILE B 181 -0.466 4.375 6.305 1.00 1.04 H new ATOM 0 HG21 ILE B 181 1.473 6.975 8.136 1.00 42.22 H new ATOM 0 HG22 ILE B 181 0.383 7.078 9.539 1.00 42.22 H new ATOM 0 HG23 ILE B 181 1.466 5.677 9.354 1.00 42.22 H new ATOM 0 HD11 ILE B 181 1.794 4.650 5.406 1.00 21.11 H new ATOM 0 HD12 ILE B 181 1.011 6.233 5.629 1.00 21.11 H new ATOM 0 HD13 ILE B 181 2.233 5.672 6.795 1.00 21.11 H new ATOM 2171 N ARG B 182 -0.533 5.108 11.186 1.00 22.04 N ATOM 2172 CA ARG B 182 -0.530 5.569 12.570 1.00 71.22 C ATOM 2173 C ARG B 182 0.384 6.776 12.610 1.00 40.11 C ATOM 2174 O ARG B 182 1.417 6.802 11.939 1.00 75.13 O ATOM 2175 CB ARG B 182 0.035 4.495 13.521 1.00 62.22 C ATOM 2176 CG ARG B 182 -1.005 3.478 14.005 1.00 4.32 C ATOM 2177 CD ARG B 182 -1.591 2.703 12.828 1.00 22.42 C ATOM 2178 NE ARG B 182 -2.516 1.650 13.253 1.00 73.14 N ATOM 2179 CZ ARG B 182 -2.341 0.337 13.110 1.00 22.11 C ATOM 2180 NH1 ARG B 182 -1.138 -0.161 12.830 1.00 63.11 N ATOM 2181 NH2 ARG B 182 -3.403 -0.446 13.182 1.00 71.23 N ATOM 0 H ARG B 182 0.272 4.519 10.971 1.00 22.04 H new ATOM 0 HA ARG B 182 -1.547 5.796 12.891 1.00 71.22 H new ATOM 0 HB2 ARG B 182 0.839 3.962 13.013 1.00 62.22 H new ATOM 0 HB3 ARG B 182 0.476 4.988 14.387 1.00 62.22 H new ATOM 0 HG2 ARG B 182 -0.543 2.786 14.709 1.00 4.32 H new ATOM 0 HG3 ARG B 182 -1.802 3.993 14.541 1.00 4.32 H new ATOM 0 HD2 ARG B 182 -2.112 3.394 12.166 1.00 22.42 H new ATOM 0 HD3 ARG B 182 -0.780 2.258 12.251 1.00 22.42 H new ATOM 0 HE ARG B 182 -3.380 1.952 13.703 1.00 73.14 H new ATOM 0 HH11 ARG B 182 -0.339 0.464 12.723 1.00 63.11 H new ATOM 0 HH12 ARG B 182 -1.015 -1.168 12.723 1.00 63.11 H new ATOM 0 HH21 ARG B 182 -4.325 -0.041 13.343 1.00 71.23 H new ATOM 0 HH22 ARG B 182 -3.301 -1.455 13.076 1.00 71.23 H new ATOM 2195 N MET B 183 0.023 7.760 13.410 1.00 4.41 N ATOM 2196 CA MET B 183 0.769 8.994 13.596 1.00 73.41 C ATOM 2197 C MET B 183 0.678 9.321 15.082 1.00 0.14 C ATOM 2198 O MET B 183 -0.142 8.744 15.802 1.00 33.41 O ATOM 2199 CB MET B 183 0.252 10.129 12.682 1.00 4.53 C ATOM 2200 CG MET B 183 -1.070 9.835 11.954 1.00 14.13 C ATOM 2201 SD MET B 183 -1.798 11.230 11.060 1.00 44.14 S ATOM 2202 CE MET B 183 -2.453 12.188 12.455 1.00 12.12 C ATOM 0 H MET B 183 -0.829 7.723 13.970 1.00 4.41 H new ATOM 0 HA MET B 183 1.812 8.879 13.302 1.00 73.41 H new ATOM 0 HB2 MET B 183 0.124 11.028 13.284 1.00 4.53 H new ATOM 0 HB3 MET B 183 1.017 10.350 11.937 1.00 4.53 H new ATOM 0 HG2 MET B 183 -0.902 9.022 11.248 1.00 14.13 H new ATOM 0 HG3 MET B 183 -1.795 9.477 12.685 1.00 14.13 H new ATOM 0 HE1 MET B 183 -3.030 13.032 12.078 1.00 12.12 H new ATOM 0 HE2 MET B 183 -3.096 11.552 13.063 1.00 12.12 H new ATOM 0 HE3 MET B 183 -1.627 12.556 13.063 1.00 12.12 H new ATOM 2212 N ALA B 184 1.572 10.169 15.564 1.00 1.23 N ATOM 2213 CA ALA B 184 1.640 10.602 16.946 1.00 40.13 C ATOM 2214 C ALA B 184 2.282 11.982 16.948 1.00 32.31 C ATOM 2215 O ALA B 184 2.621 12.510 15.886 1.00 71.00 O ATOM 2216 CB ALA B 184 2.475 9.609 17.757 1.00 32.14 C ATOM 0 H ALA B 184 2.296 10.589 14.980 1.00 1.23 H new ATOM 0 HA ALA B 184 0.650 10.646 17.400 1.00 40.13 H new ATOM 0 HB1 ALA B 184 2.524 9.938 18.795 1.00 32.14 H new ATOM 0 HB2 ALA B 184 2.014 8.622 17.710 1.00 32.14 H new ATOM 0 HB3 ALA B 184 3.483 9.559 17.344 1.00 32.14 H new ATOM 2222 N GLU B 185 2.422 12.579 18.126 1.00 71.43 N ATOM 2223 CA GLU B 185 3.017 13.889 18.272 1.00 41.13 C ATOM 2224 C GLU B 185 4.419 13.692 18.802 1.00 41.22 C ATOM 2225 O GLU B 185 4.558 13.251 19.959 1.00 0.41 O ATOM 2226 CB GLU B 185 2.100 14.765 19.143 1.00 42.31 C ATOM 2227 CG GLU B 185 2.380 16.264 18.963 1.00 53.23 C ATOM 2228 CD GLU B 185 2.204 16.692 17.500 1.00 41.45 C ATOM 2229 OE1 GLU B 185 1.126 16.443 16.911 1.00 45.12 O ATOM 2230 OE2 GLU B 185 3.196 17.134 16.882 1.00 32.33 O ATOM 0 H GLU B 185 2.123 12.161 19.007 1.00 71.43 H new ATOM 0 HA GLU B 185 3.110 14.428 17.329 1.00 41.13 H new ATOM 0 HB2 GLU B 185 1.060 14.560 18.891 1.00 42.31 H new ATOM 0 HB3 GLU B 185 2.233 14.496 20.191 1.00 42.31 H new ATOM 0 HG2 GLU B 185 1.706 16.841 19.596 1.00 53.23 H new ATOM 0 HG3 GLU B 185 3.395 16.488 19.290 1.00 53.23 H new TER 2237 GLU B 185