USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 723 hydrogens (0 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 Set 1.1: A 36 GLN : amide:sc= -10.3! C(o=-15!,f=-15!) USER MOD Set 1.2: A 48 ASN : amide:sc= -4.87! C(o=-15!,f=-29!) USER MOD Set 2.1: A 37 CYS SG : rot -129:sc= -7.03! USER MOD Set 2.2: A 47 CYS SG : rot -59:sc= -9.83! USER MOD Set 3.1: A 27 GLN : amide:sc= -1.34! C(o=-4.8!,f=-4.3!) USER MOD Set 3.2: A 30 THR OG1 : rot -150:sc= 0 USER MOD Set 3.3: A 32 TYR OH : rot -15:sc= -0.0574 USER MOD Set 3.4: A 103 ASN : amide:sc= -3.43! C(o=-4.8!,f=-4.3!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.768 USER MOD Single : A 8 THR OG1 : rot -140:sc= -5.36! USER MOD Single : A 10 SER OG : rot -140:sc= -0.35 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 89:sc= 0.966 USER MOD Single : A 20 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.703) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.152 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.2) USER MOD Single : A 62 SER OG : rot 14:sc= 0.702 USER MOD Single : A 64 SER OG : rot 180:sc= -0.186 USER MOD Single : A 65 THR OG1 : rot -175:sc= -0.339 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 110:sc= -0.278 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0893 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0719 K(o=-0.072,f=-2!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.575 K(o=-0.58,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 3.566 12.325 -5.353 1.00 0.00 N ATOM 12 CA ALA A 2 4.086 11.387 -4.379 1.00 0.00 C ATOM 13 C ALA A 2 5.404 11.903 -3.820 1.00 0.00 C ATOM 14 O ALA A 2 6.316 12.229 -4.576 1.00 0.00 O ATOM 15 CB ALA A 2 4.274 10.023 -5.037 1.00 0.00 C ATOM 0 HA ALA A 2 3.380 11.283 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.665 9.317 -4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.315 9.664 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.976 10.113 -5.866 1.00 0.00 H new ATOM 21 N PRO A 3 5.502 11.976 -2.490 1.00 0.00 N ATOM 22 CA PRO A 3 6.677 12.440 -1.783 1.00 0.00 C ATOM 23 C PRO A 3 7.777 11.392 -1.878 1.00 0.00 C ATOM 24 O PRO A 3 7.623 10.388 -2.571 1.00 0.00 O ATOM 25 CB PRO A 3 6.218 12.622 -0.338 1.00 0.00 C ATOM 26 CG PRO A 3 5.117 11.572 -0.198 1.00 0.00 C ATOM 27 CD PRO A 3 4.450 11.600 -1.571 1.00 0.00 C ATOM 0 HA PRO A 3 7.082 13.365 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.030 12.453 0.369 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.842 13.629 -0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.523 10.588 0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.416 11.824 0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.032 10.626 -1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.629 12.316 -1.596 1.00 0.00 H new ATOM 35 N THR A 4 8.891 11.627 -1.181 1.00 0.00 N ATOM 36 CA THR A 4 10.006 10.703 -1.194 1.00 0.00 C ATOM 37 C THR A 4 9.956 9.812 0.039 1.00 0.00 C ATOM 38 O THR A 4 10.213 10.269 1.150 1.00 0.00 O ATOM 39 CB THR A 4 11.315 11.487 -1.241 1.00 0.00 C ATOM 40 OG1 THR A 4 11.620 11.812 -2.579 1.00 0.00 O ATOM 41 CG2 THR A 4 12.439 10.637 -0.655 1.00 0.00 C ATOM 0 H THR A 4 9.036 12.454 -0.602 1.00 0.00 H new ATOM 0 HA THR A 4 9.945 10.068 -2.078 1.00 0.00 H new ATOM 0 HB THR A 4 11.211 12.403 -0.659 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.459 12.317 -2.610 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.374 11.197 -0.689 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.204 10.385 0.379 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.544 9.721 -1.237 1.00 0.00 H new ATOM 49 N ALA A 5 9.623 8.534 -0.161 1.00 0.00 N ATOM 50 CA ALA A 5 9.540 7.586 0.932 1.00 0.00 C ATOM 51 C ALA A 5 10.445 6.395 0.652 1.00 0.00 C ATOM 52 O ALA A 5 10.590 5.980 -0.496 1.00 0.00 O ATOM 53 CB ALA A 5 8.092 7.136 1.104 1.00 0.00 C ATOM 0 H ALA A 5 9.407 8.140 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 5 9.872 8.060 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.028 6.423 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.466 8.001 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.747 6.663 0.185 1.00 0.00 H new ATOM 59 N THR A 6 11.055 5.845 1.704 1.00 0.00 N ATOM 60 CA THR A 6 11.940 4.707 1.561 1.00 0.00 C ATOM 61 C THR A 6 11.252 3.448 2.068 1.00 0.00 C ATOM 62 O THR A 6 10.994 3.316 3.263 1.00 0.00 O ATOM 63 CB THR A 6 13.230 4.966 2.334 1.00 0.00 C ATOM 64 OG1 THR A 6 12.945 5.746 3.474 1.00 0.00 O ATOM 65 CG2 THR A 6 14.217 5.712 1.441 1.00 0.00 C ATOM 0 H THR A 6 10.946 6.176 2.663 1.00 0.00 H new ATOM 0 HA THR A 6 12.184 4.564 0.508 1.00 0.00 H new ATOM 0 HB THR A 6 13.666 4.016 2.643 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.772 5.912 3.972 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.139 5.897 1.993 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.437 5.110 0.559 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.782 6.662 1.132 1.00 0.00 H new ATOM 73 N VAL A 7 10.954 2.520 1.155 1.00 0.00 N ATOM 74 CA VAL A 7 10.299 1.278 1.512 1.00 0.00 C ATOM 75 C VAL A 7 11.273 0.119 1.357 1.00 0.00 C ATOM 76 O VAL A 7 12.200 0.188 0.552 1.00 0.00 O ATOM 77 CB VAL A 7 9.074 1.078 0.625 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.526 2.436 0.199 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.468 0.277 -0.613 1.00 0.00 C ATOM 0 H VAL A 7 11.161 2.615 0.161 1.00 0.00 H new ATOM 0 HA VAL A 7 9.976 1.318 2.552 1.00 0.00 H new ATOM 0 HB VAL A 7 8.308 0.536 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.651 2.293 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.244 3.008 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.291 2.979 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.593 0.134 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.234 0.819 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.859 -0.694 -0.309 1.00 0.00 H new ATOM 89 N THR A 8 11.062 -0.949 2.129 1.00 0.00 N ATOM 90 CA THR A 8 11.922 -2.114 2.069 1.00 0.00 C ATOM 91 C THR A 8 11.743 -2.823 0.734 1.00 0.00 C ATOM 92 O THR A 8 10.892 -2.441 -0.066 1.00 0.00 O ATOM 93 CB THR A 8 11.590 -3.050 3.227 1.00 0.00 C ATOM 94 OG1 THR A 8 12.784 -3.568 3.770 1.00 0.00 O ATOM 95 CG2 THR A 8 10.722 -4.199 2.720 1.00 0.00 C ATOM 0 H THR A 8 10.299 -1.023 2.802 1.00 0.00 H new ATOM 0 HA THR A 8 12.964 -1.805 2.155 1.00 0.00 H new ATOM 0 HB THR A 8 11.050 -2.498 3.996 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.658 -4.514 3.993 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.485 -4.868 3.547 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.799 -3.800 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.262 -4.751 1.951 1.00 0.00 H new ATOM 103 N PRO A 9 12.550 -3.859 0.496 1.00 0.00 N ATOM 104 CA PRO A 9 12.524 -4.652 -0.715 1.00 0.00 C ATOM 105 C PRO A 9 11.279 -5.528 -0.724 1.00 0.00 C ATOM 106 O PRO A 9 11.109 -6.377 0.148 1.00 0.00 O ATOM 107 CB PRO A 9 13.791 -5.502 -0.654 1.00 0.00 C ATOM 108 CG PRO A 9 14.006 -5.682 0.848 1.00 0.00 C ATOM 109 CD PRO A 9 13.562 -4.334 1.414 1.00 0.00 C ATOM 0 HA PRO A 9 12.493 -4.045 -1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.662 -6.458 -1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.637 -5.002 -1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.412 -6.504 1.247 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.048 -5.898 1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.162 -4.442 2.422 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.398 -3.637 1.476 1.00 0.00 H new ATOM 117 N SER A 10 10.407 -5.319 -1.713 1.00 0.00 N ATOM 118 CA SER A 10 9.185 -6.089 -1.828 1.00 0.00 C ATOM 119 C SER A 10 9.257 -6.992 -3.051 1.00 0.00 C ATOM 120 O SER A 10 8.308 -7.065 -3.829 1.00 0.00 O ATOM 121 CB SER A 10 7.994 -5.139 -1.927 1.00 0.00 C ATOM 122 OG SER A 10 8.137 -4.325 -3.069 1.00 0.00 O ATOM 0 H SER A 10 10.533 -4.619 -2.444 1.00 0.00 H new ATOM 0 HA SER A 10 9.061 -6.716 -0.945 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.066 -5.707 -1.986 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.933 -4.521 -1.032 1.00 0.00 H new ATOM 0 HG SER A 10 7.852 -3.412 -2.858 1.00 0.00 H new ATOM 128 N SER A 11 10.388 -7.682 -3.219 1.00 0.00 N ATOM 129 CA SER A 11 10.576 -8.577 -4.343 1.00 0.00 C ATOM 130 C SER A 11 11.021 -9.945 -3.846 1.00 0.00 C ATOM 131 O SER A 11 12.172 -10.121 -3.453 1.00 0.00 O ATOM 132 CB SER A 11 11.611 -7.985 -5.296 1.00 0.00 C ATOM 133 OG SER A 11 11.351 -6.611 -5.477 1.00 0.00 O ATOM 0 H SER A 11 11.185 -7.632 -2.584 1.00 0.00 H new ATOM 0 HA SER A 11 9.634 -8.697 -4.878 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.614 -8.126 -4.894 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.576 -8.502 -6.255 1.00 0.00 H new ATOM 0 HG SER A 11 12.016 -6.230 -6.087 1.00 0.00 H new ATOM 139 N GLY A 12 10.105 -10.916 -3.864 1.00 0.00 N ATOM 140 CA GLY A 12 10.412 -12.260 -3.416 1.00 0.00 C ATOM 141 C GLY A 12 10.047 -12.422 -1.947 1.00 0.00 C ATOM 142 O GLY A 12 10.652 -13.224 -1.239 1.00 0.00 O ATOM 0 H GLY A 12 9.146 -10.788 -4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.863 -12.985 -4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.473 -12.465 -3.559 1.00 0.00 H new ATOM 146 N LEU A 13 9.053 -11.656 -1.490 1.00 0.00 N ATOM 147 CA LEU A 13 8.612 -11.717 -0.110 1.00 0.00 C ATOM 148 C LEU A 13 7.349 -12.560 -0.009 1.00 0.00 C ATOM 149 O LEU A 13 6.411 -12.372 -0.780 1.00 0.00 O ATOM 150 CB LEU A 13 8.362 -10.304 0.406 1.00 0.00 C ATOM 151 CG LEU A 13 9.432 -9.365 -0.142 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.715 -8.264 0.877 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.712 -10.153 -0.408 1.00 0.00 C ATOM 0 H LEU A 13 8.542 -10.986 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 13 9.385 -12.182 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.373 -9.963 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.379 -10.295 1.496 1.00 0.00 H new ATOM 0 HG LEU A 13 9.080 -8.917 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.480 -7.593 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.801 -7.701 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.066 -8.711 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.477 -9.483 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.063 -10.601 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.511 -10.939 -1.136 1.00 0.00 H new ATOM 165 N SER A 14 7.327 -13.492 0.947 1.00 0.00 N ATOM 166 CA SER A 14 6.180 -14.356 1.144 1.00 0.00 C ATOM 167 C SER A 14 5.431 -13.941 2.402 1.00 0.00 C ATOM 168 O SER A 14 5.914 -13.112 3.170 1.00 0.00 O ATOM 169 CB SER A 14 6.648 -15.805 1.246 1.00 0.00 C ATOM 170 OG SER A 14 7.556 -16.080 0.203 1.00 0.00 O ATOM 0 H SER A 14 8.097 -13.661 1.594 1.00 0.00 H new ATOM 0 HA SER A 14 5.502 -14.266 0.296 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.123 -15.978 2.211 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.794 -16.479 1.186 1.00 0.00 H new ATOM 0 HG SER A 14 7.858 -17.010 0.269 1.00 0.00 H new ATOM 176 N ASP A 15 4.247 -14.521 2.613 1.00 0.00 N ATOM 177 CA ASP A 15 3.439 -14.209 3.774 1.00 0.00 C ATOM 178 C ASP A 15 4.307 -14.221 5.024 1.00 0.00 C ATOM 179 O ASP A 15 5.207 -15.049 5.149 1.00 0.00 O ATOM 180 CB ASP A 15 2.307 -15.226 3.892 1.00 0.00 C ATOM 181 CG ASP A 15 1.627 -15.127 5.251 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.328 -15.380 6.255 1.00 0.00 O ATOM 183 OD2 ASP A 15 0.421 -14.801 5.260 1.00 0.00 O ATOM 0 H ASP A 15 3.833 -15.211 1.986 1.00 0.00 H new ATOM 0 HA ASP A 15 3.007 -13.214 3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.576 -15.056 3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.701 -16.232 3.750 1.00 0.00 H new ATOM 188 N GLY A 16 4.037 -13.300 5.952 1.00 0.00 N ATOM 189 CA GLY A 16 4.797 -13.214 7.183 1.00 0.00 C ATOM 190 C GLY A 16 5.788 -12.061 7.111 1.00 0.00 C ATOM 191 O GLY A 16 6.215 -11.540 8.140 1.00 0.00 O ATOM 0 H GLY A 16 3.295 -12.606 5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.122 -13.070 8.026 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.329 -14.150 7.356 1.00 0.00 H new ATOM 195 N THR A 17 6.156 -11.662 5.891 1.00 0.00 N ATOM 196 CA THR A 17 7.093 -10.574 5.696 1.00 0.00 C ATOM 197 C THR A 17 6.389 -9.240 5.902 1.00 0.00 C ATOM 198 O THR A 17 5.186 -9.129 5.678 1.00 0.00 O ATOM 199 CB THR A 17 7.687 -10.661 4.293 1.00 0.00 C ATOM 200 OG1 THR A 17 8.262 -11.934 4.105 1.00 0.00 O ATOM 201 CG2 THR A 17 8.760 -9.589 4.127 1.00 0.00 C ATOM 0 H THR A 17 5.814 -12.083 5.027 1.00 0.00 H new ATOM 0 HA THR A 17 7.900 -10.651 6.424 1.00 0.00 H new ATOM 0 HB THR A 17 6.900 -10.505 3.555 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.583 -12.552 3.762 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.184 -9.651 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.316 -8.604 4.273 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.547 -9.745 4.865 1.00 0.00 H new ATOM 209 N VAL A 18 7.145 -8.226 6.329 1.00 0.00 N ATOM 210 CA VAL A 18 6.594 -6.906 6.562 1.00 0.00 C ATOM 211 C VAL A 18 7.423 -5.864 5.825 1.00 0.00 C ATOM 212 O VAL A 18 8.600 -5.678 6.127 1.00 0.00 O ATOM 213 CB VAL A 18 6.575 -6.622 8.061 1.00 0.00 C ATOM 214 CG1 VAL A 18 7.994 -6.707 8.614 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.017 -5.222 8.306 1.00 0.00 C ATOM 0 H VAL A 18 8.144 -8.303 6.519 1.00 0.00 H new ATOM 0 HA VAL A 18 5.573 -6.861 6.184 1.00 0.00 H new ATOM 0 HB VAL A 18 5.946 -7.358 8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.980 -6.504 9.685 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.393 -7.706 8.439 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.624 -5.972 8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.003 -5.018 9.377 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.646 -4.487 7.805 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.003 -5.160 7.912 1.00 0.00 H new ATOM 225 N VAL A 19 6.805 -5.183 4.857 1.00 0.00 N ATOM 226 CA VAL A 19 7.487 -4.165 4.084 1.00 0.00 C ATOM 227 C VAL A 19 7.572 -2.877 4.890 1.00 0.00 C ATOM 228 O VAL A 19 6.723 -2.618 5.740 1.00 0.00 O ATOM 229 CB VAL A 19 6.738 -3.935 2.774 1.00 0.00 C ATOM 230 CG1 VAL A 19 5.261 -3.691 3.069 1.00 0.00 C ATOM 231 CG2 VAL A 19 7.322 -2.719 2.061 1.00 0.00 C ATOM 0 H VAL A 19 5.829 -5.326 4.596 1.00 0.00 H new ATOM 0 HA VAL A 19 8.500 -4.494 3.855 1.00 0.00 H new ATOM 0 HB VAL A 19 6.841 -4.814 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.726 -3.527 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.843 -4.559 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.157 -2.812 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.787 -2.554 1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.219 -1.840 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.377 -2.893 1.850 1.00 0.00 H new ATOM 241 N LYS A 20 8.600 -2.069 4.621 1.00 0.00 N ATOM 242 CA LYS A 20 8.788 -0.815 5.322 1.00 0.00 C ATOM 243 C LYS A 20 8.473 0.350 4.394 1.00 0.00 C ATOM 244 O LYS A 20 8.763 0.293 3.202 1.00 0.00 O ATOM 245 CB LYS A 20 10.225 -0.727 5.830 1.00 0.00 C ATOM 246 CG LYS A 20 10.226 -0.208 7.265 1.00 0.00 C ATOM 247 CD LYS A 20 10.426 1.305 7.260 1.00 0.00 C ATOM 248 CE LYS A 20 11.816 1.636 7.797 1.00 0.00 C ATOM 249 NZ LYS A 20 11.834 2.965 8.428 1.00 0.00 N ATOM 0 H LYS A 20 9.312 -2.269 3.919 1.00 0.00 H new ATOM 0 HA LYS A 20 8.110 -0.767 6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.698 -1.708 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.808 -0.063 5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.285 -0.459 7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.020 -0.688 7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.313 1.694 6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.664 1.785 7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.119 0.881 8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.541 1.606 6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.641 3.511 8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.949 3.466 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.925 2.859 9.459 1.00 0.00 H new ATOM 263 N VAL A 21 7.875 1.409 4.946 1.00 0.00 N ATOM 264 CA VAL A 21 7.523 2.580 4.168 1.00 0.00 C ATOM 265 C VAL A 21 7.791 3.838 4.982 1.00 0.00 C ATOM 266 O VAL A 21 7.056 4.140 5.920 1.00 0.00 O ATOM 267 CB VAL A 21 6.054 2.498 3.765 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.950 2.308 2.255 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.397 1.317 4.473 1.00 0.00 C ATOM 0 H VAL A 21 7.627 1.471 5.934 1.00 0.00 H new ATOM 0 HA VAL A 21 8.132 2.619 3.265 1.00 0.00 H new ATOM 0 HB VAL A 21 5.547 3.420 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.900 2.249 1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.418 3.152 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.457 1.386 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.347 1.258 4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.903 0.395 4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.470 1.453 5.552 1.00 0.00 H new ATOM 279 N ALA A 22 8.846 4.572 4.621 1.00 0.00 N ATOM 280 CA ALA A 22 9.204 5.790 5.318 1.00 0.00 C ATOM 281 C ALA A 22 9.090 6.977 4.372 1.00 0.00 C ATOM 282 O ALA A 22 9.803 7.049 3.374 1.00 0.00 O ATOM 283 CB ALA A 22 10.625 5.666 5.860 1.00 0.00 C ATOM 0 H ALA A 22 9.464 4.335 3.845 1.00 0.00 H new ATOM 0 HA ALA A 22 8.523 5.949 6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.895 6.582 6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.679 4.823 6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.317 5.504 5.033 1.00 0.00 H new ATOM 289 N GLY A 23 8.189 7.911 4.688 1.00 0.00 N ATOM 290 CA GLY A 23 7.990 9.086 3.863 1.00 0.00 C ATOM 291 C GLY A 23 9.041 10.139 4.183 1.00 0.00 C ATOM 292 O GLY A 23 9.384 10.345 5.346 1.00 0.00 O ATOM 0 H GLY A 23 7.589 7.868 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.048 8.813 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.993 9.494 4.033 1.00 0.00 H new ATOM 296 N ALA A 24 9.552 10.808 3.147 1.00 0.00 N ATOM 297 CA ALA A 24 10.561 11.833 3.321 1.00 0.00 C ATOM 298 C ALA A 24 10.230 13.035 2.448 1.00 0.00 C ATOM 299 O ALA A 24 10.357 12.971 1.227 1.00 0.00 O ATOM 300 CB ALA A 24 11.931 11.265 2.963 1.00 0.00 C ATOM 0 H ALA A 24 9.276 10.651 2.178 1.00 0.00 H new ATOM 0 HA ALA A 24 10.579 12.158 4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.690 12.036 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.156 10.420 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.927 10.932 1.925 1.00 0.00 H new ATOM 306 N GLY A 25 9.804 14.134 3.075 1.00 0.00 N ATOM 307 CA GLY A 25 9.459 15.339 2.349 1.00 0.00 C ATOM 308 C GLY A 25 7.948 15.447 2.193 1.00 0.00 C ATOM 309 O GLY A 25 7.461 16.076 1.256 1.00 0.00 O ATOM 0 H GLY A 25 9.693 14.205 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.840 16.212 2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.933 15.329 1.368 1.00 0.00 H new ATOM 313 N LEU A 26 7.206 14.829 3.115 1.00 0.00 N ATOM 314 CA LEU A 26 5.758 14.857 3.076 1.00 0.00 C ATOM 315 C LEU A 26 5.243 16.060 3.854 1.00 0.00 C ATOM 316 O LEU A 26 6.024 16.912 4.271 1.00 0.00 O ATOM 317 CB LEU A 26 5.209 13.559 3.663 1.00 0.00 C ATOM 318 CG LEU A 26 6.177 12.418 3.368 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.393 11.125 3.160 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.973 12.739 2.106 1.00 0.00 C ATOM 0 H LEU A 26 7.595 14.303 3.898 1.00 0.00 H new ATOM 0 HA LEU A 26 5.420 14.946 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.071 13.664 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.230 13.340 3.236 1.00 0.00 H new ATOM 0 HG LEU A 26 6.861 12.296 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.085 10.310 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.825 10.895 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.708 11.246 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.665 11.924 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.289 12.861 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.534 13.662 2.255 1.00 0.00 H new ATOM 332 N GLN A 27 3.924 16.127 4.048 1.00 0.00 N ATOM 333 CA GLN A 27 3.314 17.224 4.773 1.00 0.00 C ATOM 334 C GLN A 27 3.406 16.968 6.271 1.00 0.00 C ATOM 335 O GLN A 27 2.962 15.929 6.754 1.00 0.00 O ATOM 336 CB GLN A 27 1.859 17.371 4.338 1.00 0.00 C ATOM 337 CG GLN A 27 1.803 17.699 2.849 1.00 0.00 C ATOM 338 CD GLN A 27 0.417 17.422 2.283 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.222 18.316 1.733 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.046 16.177 2.420 1.00 0.00 N ATOM 0 H GLN A 27 3.263 15.428 3.709 1.00 0.00 H new ATOM 0 HA GLN A 27 3.843 18.151 4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.314 16.449 4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.374 18.160 4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.061 18.747 2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.544 17.105 2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.523 15.469 2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.969 15.934 2.060 1.00 0.00 H new ATOM 349 N ALA A 28 3.984 17.921 7.006 1.00 0.00 N ATOM 350 CA ALA A 28 4.132 17.795 8.442 1.00 0.00 C ATOM 351 C ALA A 28 2.773 17.937 9.114 1.00 0.00 C ATOM 352 O ALA A 28 1.966 18.774 8.715 1.00 0.00 O ATOM 353 CB ALA A 28 5.100 18.861 8.948 1.00 0.00 C ATOM 0 H ALA A 28 4.356 18.789 6.620 1.00 0.00 H new ATOM 0 HA ALA A 28 4.535 16.812 8.686 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.212 18.767 10.028 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.070 18.728 8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.710 19.850 8.708 1.00 0.00 H new ATOM 359 N GLY A 29 2.521 17.117 10.136 1.00 0.00 N ATOM 360 CA GLY A 29 1.263 17.159 10.853 1.00 0.00 C ATOM 361 C GLY A 29 0.145 16.590 9.990 1.00 0.00 C ATOM 362 O GLY A 29 -1.027 16.674 10.353 1.00 0.00 O ATOM 0 H GLY A 29 3.179 16.417 10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.344 16.588 11.778 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.030 18.186 11.132 1.00 0.00 H new ATOM 366 N THR A 30 0.509 16.010 8.844 1.00 0.00 N ATOM 367 CA THR A 30 -0.465 15.433 7.940 1.00 0.00 C ATOM 368 C THR A 30 -0.628 13.948 8.233 1.00 0.00 C ATOM 369 O THR A 30 0.330 13.279 8.615 1.00 0.00 O ATOM 370 CB THR A 30 -0.013 15.653 6.499 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.061 16.243 5.763 1.00 0.00 O ATOM 372 CG2 THR A 30 0.357 14.312 5.871 1.00 0.00 C ATOM 0 H THR A 30 1.475 15.932 8.527 1.00 0.00 H new ATOM 0 HA THR A 30 -1.430 15.918 8.083 1.00 0.00 H new ATOM 0 HB THR A 30 0.856 16.312 6.487 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.999 15.966 4.825 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.680 14.469 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.167 13.855 6.440 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.511 13.653 5.882 1.00 0.00 H new ATOM 380 N ALA A 31 -1.847 13.434 8.053 1.00 0.00 N ATOM 381 CA ALA A 31 -2.130 12.035 8.298 1.00 0.00 C ATOM 382 C ALA A 31 -2.108 11.266 6.985 1.00 0.00 C ATOM 383 O ALA A 31 -2.437 11.816 5.936 1.00 0.00 O ATOM 384 CB ALA A 31 -3.490 11.904 8.978 1.00 0.00 C ATOM 0 H ALA A 31 -2.651 13.976 7.737 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.368 11.615 8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.704 10.851 9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.477 12.444 9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.262 12.323 8.332 1.00 0.00 H new ATOM 390 N TYR A 32 -1.718 9.991 7.043 1.00 0.00 N ATOM 391 CA TYR A 32 -1.653 9.157 5.860 1.00 0.00 C ATOM 392 C TYR A 32 -2.225 7.781 6.166 1.00 0.00 C ATOM 393 O TYR A 32 -2.067 7.273 7.274 1.00 0.00 O ATOM 394 CB TYR A 32 -0.204 9.050 5.394 1.00 0.00 C ATOM 395 CG TYR A 32 0.320 10.314 4.755 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.190 10.738 3.522 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.314 11.062 5.396 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.296 11.910 2.930 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.800 12.233 4.804 1.00 0.00 C ATOM 400 CZ TYR A 32 1.291 12.658 3.571 1.00 0.00 C ATOM 401 OH TYR A 32 1.765 13.800 2.994 1.00 0.00 O ATOM 0 H TYR A 32 -1.443 9.520 7.905 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.246 9.604 5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.425 8.796 6.247 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.120 8.230 4.681 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.958 10.161 3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.706 10.735 6.348 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.097 12.237 1.979 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.568 12.809 5.298 1.00 0.00 H new ATOM 0 HH TYR A 32 1.494 13.827 2.052 1.00 0.00 H new ATOM 411 N ASP A 33 -2.892 7.176 5.179 1.00 0.00 N ATOM 412 CA ASP A 33 -3.483 5.864 5.348 1.00 0.00 C ATOM 413 C ASP A 33 -2.722 4.845 4.513 1.00 0.00 C ATOM 414 O ASP A 33 -2.742 4.907 3.286 1.00 0.00 O ATOM 415 CB ASP A 33 -4.952 5.913 4.937 1.00 0.00 C ATOM 416 CG ASP A 33 -5.439 4.540 4.496 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.149 4.181 3.334 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.092 3.875 5.329 1.00 0.00 O ATOM 0 H ASP A 33 -3.031 7.584 4.254 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.422 5.564 6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.556 6.266 5.773 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.083 6.628 4.125 1.00 0.00 H new ATOM 423 N VAL A 34 -2.050 3.905 5.182 1.00 0.00 N ATOM 424 CA VAL A 34 -1.287 2.879 4.499 1.00 0.00 C ATOM 425 C VAL A 34 -2.099 1.593 4.432 1.00 0.00 C ATOM 426 O VAL A 34 -2.776 1.233 5.392 1.00 0.00 O ATOM 427 CB VAL A 34 0.029 2.650 5.237 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.085 2.156 4.253 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.494 3.960 5.866 1.00 0.00 C ATOM 0 H VAL A 34 -2.024 3.840 6.200 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.066 3.200 3.481 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.118 1.904 6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.025 1.992 4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.754 1.220 3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.232 2.902 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.434 3.797 6.393 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.641 4.707 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.260 4.314 6.569 1.00 0.00 H new ATOM 439 N GLY A 35 -2.030 0.900 3.293 1.00 0.00 N ATOM 440 CA GLY A 35 -2.759 -0.339 3.112 1.00 0.00 C ATOM 441 C GLY A 35 -2.182 -1.124 1.942 1.00 0.00 C ATOM 442 O GLY A 35 -1.436 -0.578 1.132 1.00 0.00 O ATOM 0 H GLY A 35 -1.474 1.184 2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.706 -0.937 4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.813 -0.126 2.932 1.00 0.00 H new ATOM 446 N GLN A 36 -2.531 -2.410 1.855 1.00 0.00 N ATOM 447 CA GLN A 36 -2.046 -3.262 0.787 1.00 0.00 C ATOM 448 C GLN A 36 -3.208 -3.695 -0.096 1.00 0.00 C ATOM 449 O GLN A 36 -4.032 -4.509 0.313 1.00 0.00 O ATOM 450 CB GLN A 36 -1.342 -4.476 1.387 1.00 0.00 C ATOM 451 CG GLN A 36 -1.233 -5.574 0.333 1.00 0.00 C ATOM 452 CD GLN A 36 -0.730 -6.871 0.951 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.326 -7.382 1.897 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.371 -7.402 0.414 1.00 0.00 N ATOM 0 H GLN A 36 -3.150 -2.877 2.518 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.334 -2.712 0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.349 -4.196 1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.897 -4.841 2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.207 -5.740 -0.128 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.555 -5.257 -0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.830 -6.939 -0.371 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.753 -8.270 0.789 1.00 0.00 H new ATOM 463 N CYS A 37 -3.271 -3.147 -1.312 1.00 0.00 N ATOM 464 CA CYS A 37 -4.329 -3.478 -2.246 1.00 0.00 C ATOM 465 C CYS A 37 -3.757 -4.277 -3.409 1.00 0.00 C ATOM 466 O CYS A 37 -2.618 -4.057 -3.815 1.00 0.00 O ATOM 467 CB CYS A 37 -4.987 -2.194 -2.744 1.00 0.00 C ATOM 468 SG CYS A 37 -4.900 -0.820 -1.569 1.00 0.00 S ATOM 0 H CYS A 37 -2.595 -2.470 -1.666 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.083 -4.087 -1.748 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.511 -1.892 -3.677 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.033 -2.398 -2.972 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.087 -0.317 -1.401 1.00 0.00 H new ATOM 473 N ALA A 38 -4.551 -5.207 -3.944 1.00 0.00 N ATOM 474 CA ALA A 38 -4.121 -6.034 -5.054 1.00 0.00 C ATOM 475 C ALA A 38 -5.087 -5.875 -6.219 1.00 0.00 C ATOM 476 O ALA A 38 -6.299 -5.836 -6.022 1.00 0.00 O ATOM 477 CB ALA A 38 -4.050 -7.490 -4.604 1.00 0.00 C ATOM 0 H ALA A 38 -5.498 -5.400 -3.619 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.130 -5.721 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.727 -8.113 -5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.338 -7.583 -3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.035 -7.815 -4.268 1.00 0.00 H new ATOM 483 N TRP A 39 -4.547 -5.784 -7.437 1.00 0.00 N ATOM 484 CA TRP A 39 -5.366 -5.631 -8.623 1.00 0.00 C ATOM 485 C TRP A 39 -6.209 -6.881 -8.834 1.00 0.00 C ATOM 486 O TRP A 39 -5.675 -7.983 -8.938 1.00 0.00 O ATOM 487 CB TRP A 39 -4.469 -5.374 -9.830 1.00 0.00 C ATOM 488 CG TRP A 39 -4.958 -5.961 -11.115 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.255 -6.107 -11.462 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.184 -6.485 -12.236 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.337 -6.683 -12.712 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.086 -6.938 -13.237 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.812 -6.626 -12.510 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.653 -7.498 -14.441 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.366 -7.187 -13.716 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.281 -7.623 -14.681 1.00 0.00 C ATOM 0 H TRP A 39 -3.544 -5.815 -7.619 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.037 -4.782 -8.498 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.358 -4.297 -9.959 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.477 -5.774 -9.619 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.099 -5.817 -10.853 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.213 -6.894 -13.190 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.089 -6.296 -11.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.369 -7.831 -15.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.306 -7.283 -13.901 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.929 -8.054 -15.607 1.00 0.00 H new ATOM 507 N VAL A 40 -7.531 -6.706 -8.898 1.00 0.00 N ATOM 508 CA VAL A 40 -8.441 -7.816 -9.096 1.00 0.00 C ATOM 509 C VAL A 40 -8.925 -7.833 -10.539 1.00 0.00 C ATOM 510 O VAL A 40 -8.971 -8.888 -11.168 1.00 0.00 O ATOM 511 CB VAL A 40 -9.617 -7.688 -8.132 1.00 0.00 C ATOM 512 CG1 VAL A 40 -9.361 -8.551 -6.899 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.770 -6.230 -7.709 1.00 0.00 C ATOM 0 H VAL A 40 -7.988 -5.798 -8.814 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.925 -8.755 -8.895 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.530 -8.022 -8.626 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.201 -8.460 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.251 -9.593 -7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.449 -8.218 -6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.610 -6.137 -7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.857 -5.897 -7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.952 -5.613 -8.589 1.00 0.00 H new ATOM 523 N ASP A 41 -9.288 -6.660 -11.063 1.00 0.00 N ATOM 524 CA ASP A 41 -9.767 -6.547 -12.426 1.00 0.00 C ATOM 525 C ASP A 41 -9.076 -5.382 -13.119 1.00 0.00 C ATOM 526 O ASP A 41 -8.239 -4.709 -12.521 1.00 0.00 O ATOM 527 CB ASP A 41 -11.280 -6.352 -12.418 1.00 0.00 C ATOM 528 CG ASP A 41 -11.998 -7.653 -12.748 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.510 -8.354 -13.661 1.00 0.00 O ATOM 530 OD2 ASP A 41 -13.021 -7.922 -12.082 1.00 0.00 O ATOM 0 H ASP A 41 -9.256 -5.776 -10.555 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.535 -7.460 -12.975 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.599 -5.994 -11.439 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.556 -5.586 -13.143 1.00 0.00 H new ATOM 535 N THR A 42 -9.428 -5.143 -14.384 1.00 0.00 N ATOM 536 CA THR A 42 -8.839 -4.060 -15.147 1.00 0.00 C ATOM 537 C THR A 42 -9.305 -2.722 -14.592 1.00 0.00 C ATOM 538 O THR A 42 -10.476 -2.368 -14.716 1.00 0.00 O ATOM 539 CB THR A 42 -9.230 -4.202 -16.615 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.558 -5.308 -17.175 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.840 -2.934 -17.370 1.00 0.00 C ATOM 0 H THR A 42 -10.120 -5.691 -14.895 1.00 0.00 H new ATOM 0 HA THR A 42 -7.753 -4.104 -15.067 1.00 0.00 H new ATOM 0 HB THR A 42 -10.307 -4.354 -16.692 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.810 -5.401 -18.117 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.119 -3.035 -18.419 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.359 -2.079 -16.937 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.763 -2.782 -17.294 1.00 0.00 H new ATOM 549 N GLY A 43 -8.384 -1.975 -13.977 1.00 0.00 N ATOM 550 CA GLY A 43 -8.709 -0.682 -13.409 1.00 0.00 C ATOM 551 C GLY A 43 -9.449 -0.856 -12.090 1.00 0.00 C ATOM 552 O GLY A 43 -9.986 0.105 -11.545 1.00 0.00 O ATOM 0 H GLY A 43 -7.409 -2.252 -13.864 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.797 -0.108 -13.249 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.324 -0.115 -14.107 1.00 0.00 H new ATOM 556 N VAL A 44 -9.477 -2.089 -11.579 1.00 0.00 N ATOM 557 CA VAL A 44 -10.150 -2.384 -10.330 1.00 0.00 C ATOM 558 C VAL A 44 -9.225 -3.184 -9.423 1.00 0.00 C ATOM 559 O VAL A 44 -8.713 -4.228 -9.821 1.00 0.00 O ATOM 560 CB VAL A 44 -11.432 -3.161 -10.615 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.495 -3.513 -12.099 1.00 0.00 C ATOM 562 CG2 VAL A 44 -11.445 -4.443 -9.788 1.00 0.00 C ATOM 0 H VAL A 44 -9.037 -2.897 -12.020 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.409 -1.454 -9.823 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.294 -2.549 -10.350 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.411 -4.068 -12.303 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.486 -2.598 -12.691 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.633 -4.125 -12.365 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.361 -4.998 -9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.583 -5.055 -10.053 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.400 -4.193 -8.728 1.00 0.00 H new ATOM 572 N LEU A 45 -9.013 -2.691 -8.200 1.00 0.00 N ATOM 573 CA LEU A 45 -8.153 -3.361 -7.245 1.00 0.00 C ATOM 574 C LEU A 45 -8.834 -3.412 -5.885 1.00 0.00 C ATOM 575 O LEU A 45 -9.495 -2.457 -5.483 1.00 0.00 O ATOM 576 CB LEU A 45 -6.821 -2.622 -7.155 1.00 0.00 C ATOM 577 CG LEU A 45 -6.913 -1.537 -6.086 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.508 -1.141 -5.640 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.628 -0.317 -6.658 1.00 0.00 C ATOM 0 H LEU A 45 -9.431 -1.827 -7.855 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.965 -4.383 -7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.021 -3.321 -6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.573 -2.178 -8.119 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.472 -1.917 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.574 -0.366 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.997 -2.012 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.948 -0.762 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.693 0.458 -5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.070 0.063 -7.514 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.632 -0.599 -6.975 1.00 0.00 H new ATOM 591 N ALA A 46 -8.671 -4.532 -5.176 1.00 0.00 N ATOM 592 CA ALA A 46 -9.269 -4.702 -3.867 1.00 0.00 C ATOM 593 C ALA A 46 -8.249 -4.373 -2.787 1.00 0.00 C ATOM 594 O ALA A 46 -7.056 -4.605 -2.966 1.00 0.00 O ATOM 595 CB ALA A 46 -9.769 -6.136 -3.721 1.00 0.00 C ATOM 0 H ALA A 46 -8.126 -5.333 -5.496 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.115 -4.023 -3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.219 -6.266 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.513 -6.342 -4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.932 -6.826 -3.831 1.00 0.00 H new ATOM 601 N CYS A 47 -8.722 -3.830 -1.663 1.00 0.00 N ATOM 602 CA CYS A 47 -7.851 -3.471 -0.561 1.00 0.00 C ATOM 603 C CYS A 47 -8.038 -4.457 0.584 1.00 0.00 C ATOM 604 O CYS A 47 -9.120 -5.013 0.757 1.00 0.00 O ATOM 605 CB CYS A 47 -8.166 -2.049 -0.107 1.00 0.00 C ATOM 606 SG CYS A 47 -7.481 -0.765 -1.183 1.00 0.00 S ATOM 0 H CYS A 47 -9.709 -3.632 -1.500 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.811 -3.512 -0.885 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.248 -1.926 -0.055 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.780 -1.907 0.902 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.189 -0.894 -1.244 1.00 0.00 H new ATOM 611 N ASN A 48 -6.978 -4.674 1.367 1.00 0.00 N ATOM 612 CA ASN A 48 -7.033 -5.589 2.488 1.00 0.00 C ATOM 613 C ASN A 48 -6.935 -4.816 3.795 1.00 0.00 C ATOM 614 O ASN A 48 -5.875 -4.292 4.131 1.00 0.00 O ATOM 615 CB ASN A 48 -5.897 -6.601 2.372 1.00 0.00 C ATOM 616 CG ASN A 48 -5.661 -7.307 3.700 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.597 -7.523 4.466 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.404 -7.669 3.971 1.00 0.00 N ATOM 0 H ASN A 48 -6.073 -4.222 1.237 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.983 -6.124 2.478 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.136 -7.335 1.603 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.984 -6.095 2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.188 -8.147 4.846 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.660 -7.468 3.303 1.00 0.00 H new ATOM 625 N PRO A 49 -8.045 -4.746 4.534 1.00 0.00 N ATOM 626 CA PRO A 49 -8.138 -4.057 5.803 1.00 0.00 C ATOM 627 C PRO A 49 -7.395 -4.848 6.869 1.00 0.00 C ATOM 628 O PRO A 49 -7.337 -4.433 8.025 1.00 0.00 O ATOM 629 CB PRO A 49 -9.634 -3.999 6.107 1.00 0.00 C ATOM 630 CG PRO A 49 -10.166 -5.260 5.428 1.00 0.00 C ATOM 631 CD PRO A 49 -9.308 -5.350 4.168 1.00 0.00 C ATOM 0 HA PRO A 49 -7.695 -3.061 5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.829 -4.004 7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.094 -3.097 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.050 -6.140 6.061 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.226 -5.175 5.191 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.175 -6.385 3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.772 -4.822 3.335 1.00 0.00 H new ATOM 639 N ALA A 50 -6.825 -5.990 6.479 1.00 0.00 N ATOM 640 CA ALA A 50 -6.092 -6.833 7.401 1.00 0.00 C ATOM 641 C ALA A 50 -4.632 -6.405 7.441 1.00 0.00 C ATOM 642 O ALA A 50 -3.880 -6.838 8.312 1.00 0.00 O ATOM 643 CB ALA A 50 -6.217 -8.291 6.966 1.00 0.00 C ATOM 0 H ALA A 50 -6.862 -6.346 5.524 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.508 -6.730 8.403 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.666 -8.926 7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.268 -8.582 6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.807 -8.408 5.963 1.00 0.00 H new ATOM 649 N ASP A 51 -4.232 -5.552 6.495 1.00 0.00 N ATOM 650 CA ASP A 51 -2.866 -5.072 6.427 1.00 0.00 C ATOM 651 C ASP A 51 -2.860 -3.562 6.244 1.00 0.00 C ATOM 652 O ASP A 51 -1.932 -3.010 5.657 1.00 0.00 O ATOM 653 CB ASP A 51 -2.143 -5.761 5.273 1.00 0.00 C ATOM 654 CG ASP A 51 -1.814 -7.205 5.622 1.00 0.00 C ATOM 655 OD1 ASP A 51 -2.244 -7.637 6.714 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.140 -7.851 4.790 1.00 0.00 O ATOM 0 H ASP A 51 -4.844 -5.183 5.767 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.346 -5.307 7.356 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.766 -5.732 4.379 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.225 -5.221 5.040 1.00 0.00 H new ATOM 661 N PHE A 52 -3.900 -2.892 6.746 1.00 0.00 N ATOM 662 CA PHE A 52 -4.006 -1.451 6.634 1.00 0.00 C ATOM 663 C PHE A 52 -3.574 -0.798 7.939 1.00 0.00 C ATOM 664 O PHE A 52 -4.174 -1.039 8.985 1.00 0.00 O ATOM 665 CB PHE A 52 -5.445 -1.074 6.290 1.00 0.00 C ATOM 666 CG PHE A 52 -6.198 -0.456 7.444 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.753 0.746 8.006 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.339 -1.087 7.953 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.450 1.318 9.077 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.036 -0.515 9.024 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.592 0.688 9.586 1.00 0.00 C ATOM 0 H PHE A 52 -4.679 -3.334 7.234 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.350 -1.095 5.840 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.439 -0.374 5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.976 -1.965 5.956 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.872 1.232 7.614 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.682 -2.015 7.520 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.107 2.246 9.511 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.916 -1.002 9.417 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.130 1.130 10.412 1.00 0.00 H new ATOM 681 N SER A 53 -2.529 0.031 7.876 1.00 0.00 N ATOM 682 CA SER A 53 -2.025 0.713 9.051 1.00 0.00 C ATOM 683 C SER A 53 -2.257 2.212 8.917 1.00 0.00 C ATOM 684 O SER A 53 -2.814 2.670 7.921 1.00 0.00 O ATOM 685 CB SER A 53 -0.539 0.409 9.216 1.00 0.00 C ATOM 686 OG SER A 53 -0.082 0.946 10.437 1.00 0.00 O ATOM 0 H SER A 53 -2.020 0.241 7.017 1.00 0.00 H new ATOM 0 HA SER A 53 -2.555 0.361 9.936 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.373 -0.668 9.195 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.025 0.835 8.386 1.00 0.00 H new ATOM 0 HG SER A 53 0.872 0.749 10.544 1.00 0.00 H new ATOM 692 N SER A 54 -1.826 2.976 9.923 1.00 0.00 N ATOM 693 CA SER A 54 -1.987 4.416 9.911 1.00 0.00 C ATOM 694 C SER A 54 -0.802 5.074 10.602 1.00 0.00 C ATOM 695 O SER A 54 -0.115 4.440 11.400 1.00 0.00 O ATOM 696 CB SER A 54 -3.293 4.787 10.607 1.00 0.00 C ATOM 697 OG SER A 54 -3.069 4.903 11.995 1.00 0.00 O ATOM 0 H SER A 54 -1.362 2.612 10.755 1.00 0.00 H new ATOM 0 HA SER A 54 -2.025 4.772 8.882 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.675 5.727 10.210 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.050 4.027 10.412 1.00 0.00 H new ATOM 0 HG SER A 54 -3.907 5.143 12.443 1.00 0.00 H new ATOM 703 N VAL A 55 -0.563 6.351 10.294 1.00 0.00 N ATOM 704 CA VAL A 55 0.535 7.089 10.885 1.00 0.00 C ATOM 705 C VAL A 55 0.362 8.576 10.614 1.00 0.00 C ATOM 706 O VAL A 55 -0.391 8.963 9.722 1.00 0.00 O ATOM 707 CB VAL A 55 1.855 6.584 10.309 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.784 6.601 8.785 1.00 0.00 C ATOM 709 CG2 VAL A 55 2.992 7.488 10.775 1.00 0.00 C ATOM 0 H VAL A 55 -1.124 6.890 9.634 1.00 0.00 H new ATOM 0 HA VAL A 55 0.542 6.935 11.964 1.00 0.00 H new ATOM 0 HB VAL A 55 2.036 5.566 10.653 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.726 6.240 8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.971 5.956 8.451 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.603 7.619 8.441 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.935 7.128 10.364 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.812 8.506 10.431 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.043 7.477 11.864 1.00 0.00 H new ATOM 719 N THR A 56 1.060 9.412 11.385 1.00 0.00 N ATOM 720 CA THR A 56 0.978 10.849 11.220 1.00 0.00 C ATOM 721 C THR A 56 2.375 11.437 11.086 1.00 0.00 C ATOM 722 O THR A 56 3.234 11.205 11.934 1.00 0.00 O ATOM 723 CB THR A 56 0.249 11.456 12.415 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.960 10.763 12.630 1.00 0.00 O ATOM 725 CG2 THR A 56 -0.051 12.926 12.135 1.00 0.00 C ATOM 0 H THR A 56 1.688 9.109 12.130 1.00 0.00 H new ATOM 0 HA THR A 56 0.421 11.082 10.313 1.00 0.00 H new ATOM 0 HB THR A 56 0.877 11.376 13.302 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.428 11.152 13.399 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.572 13.360 12.988 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.883 13.463 11.969 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.679 13.007 11.248 1.00 0.00 H new ATOM 733 N ALA A 57 2.602 12.201 10.015 1.00 0.00 N ATOM 734 CA ALA A 57 3.891 12.817 9.773 1.00 0.00 C ATOM 735 C ALA A 57 4.251 13.731 10.936 1.00 0.00 C ATOM 736 O ALA A 57 3.374 14.346 11.539 1.00 0.00 O ATOM 737 CB ALA A 57 3.842 13.600 8.464 1.00 0.00 C ATOM 0 H ALA A 57 1.900 12.403 9.303 1.00 0.00 H new ATOM 0 HA ALA A 57 4.658 12.047 9.691 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.811 14.064 8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.603 12.923 7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.077 14.373 8.531 1.00 0.00 H new ATOM 743 N ASP A 58 5.545 13.819 11.249 1.00 0.00 N ATOM 744 CA ASP A 58 6.013 14.655 12.337 1.00 0.00 C ATOM 745 C ASP A 58 6.263 16.068 11.829 1.00 0.00 C ATOM 746 O ASP A 58 5.951 16.381 10.683 1.00 0.00 O ATOM 747 CB ASP A 58 7.289 14.058 12.924 1.00 0.00 C ATOM 748 CG ASP A 58 8.394 14.002 11.879 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.235 14.690 10.848 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.377 13.271 12.131 1.00 0.00 O ATOM 0 H ASP A 58 6.284 13.316 10.757 1.00 0.00 H new ATOM 0 HA ASP A 58 5.255 14.699 13.119 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.617 14.656 13.774 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.087 13.055 13.299 1.00 0.00 H new ATOM 755 N ALA A 59 6.827 16.922 12.687 1.00 0.00 N ATOM 756 CA ALA A 59 7.113 18.294 12.322 1.00 0.00 C ATOM 757 C ALA A 59 8.099 18.325 11.164 1.00 0.00 C ATOM 758 O ALA A 59 8.134 19.287 10.400 1.00 0.00 O ATOM 759 CB ALA A 59 7.678 19.034 13.532 1.00 0.00 C ATOM 0 H ALA A 59 7.092 16.677 13.641 1.00 0.00 H new ATOM 0 HA ALA A 59 6.195 18.789 12.005 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.894 20.067 13.259 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.948 19.018 14.342 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.596 18.546 13.861 1.00 0.00 H new ATOM 765 N ASN A 60 8.903 17.267 11.033 1.00 0.00 N ATOM 766 CA ASN A 60 9.883 17.180 9.969 1.00 0.00 C ATOM 767 C ASN A 60 9.218 16.696 8.689 1.00 0.00 C ATOM 768 O ASN A 60 9.888 16.477 7.682 1.00 0.00 O ATOM 769 CB ASN A 60 11.003 16.231 10.388 1.00 0.00 C ATOM 770 CG ASN A 60 12.221 17.006 10.868 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.103 18.157 11.282 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.395 16.372 10.813 1.00 0.00 N ATOM 0 H ASN A 60 8.888 16.460 11.657 1.00 0.00 H new ATOM 0 HA ASN A 60 10.308 18.166 9.781 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.650 15.573 11.182 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.280 15.595 9.547 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.244 16.844 11.123 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.442 15.416 10.461 1.00 0.00 H new ATOM 779 N GLY A 61 7.893 16.530 8.728 1.00 0.00 N ATOM 780 CA GLY A 61 7.149 16.075 7.571 1.00 0.00 C ATOM 781 C GLY A 61 7.532 14.642 7.228 1.00 0.00 C ATOM 782 O GLY A 61 7.096 14.106 6.212 1.00 0.00 O ATOM 0 H GLY A 61 7.321 16.707 9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.079 16.135 7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.351 16.726 6.721 1.00 0.00 H new ATOM 786 N SER A 62 8.350 14.021 8.081 1.00 0.00 N ATOM 787 CA SER A 62 8.786 12.656 7.865 1.00 0.00 C ATOM 788 C SER A 62 7.910 11.702 8.665 1.00 0.00 C ATOM 789 O SER A 62 7.636 11.942 9.839 1.00 0.00 O ATOM 790 CB SER A 62 10.249 12.519 8.275 1.00 0.00 C ATOM 791 OG SER A 62 10.808 11.386 7.650 1.00 0.00 O ATOM 0 H SER A 62 8.720 14.451 8.928 1.00 0.00 H new ATOM 0 HA SER A 62 8.693 12.404 6.809 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.803 13.414 7.992 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.327 12.426 9.358 1.00 0.00 H new ATOM 0 HG SER A 62 10.215 11.083 6.931 1.00 0.00 H new ATOM 797 N ALA A 63 7.470 10.615 8.025 1.00 0.00 N ATOM 798 CA ALA A 63 6.630 9.632 8.678 1.00 0.00 C ATOM 799 C ALA A 63 7.310 8.271 8.647 1.00 0.00 C ATOM 800 O ALA A 63 8.261 8.067 7.896 1.00 0.00 O ATOM 801 CB ALA A 63 5.276 9.576 7.976 1.00 0.00 C ATOM 0 H ALA A 63 7.688 10.401 7.052 1.00 0.00 H new ATOM 0 HA ALA A 63 6.474 9.914 9.719 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.642 8.837 8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.799 10.555 8.028 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.419 9.297 6.932 1.00 0.00 H new ATOM 807 N SER A 64 6.819 7.338 9.466 1.00 0.00 N ATOM 808 CA SER A 64 7.381 6.003 9.527 1.00 0.00 C ATOM 809 C SER A 64 6.289 4.997 9.861 1.00 0.00 C ATOM 810 O SER A 64 5.560 5.170 10.836 1.00 0.00 O ATOM 811 CB SER A 64 8.490 5.966 10.575 1.00 0.00 C ATOM 812 OG SER A 64 9.197 7.186 10.553 1.00 0.00 O ATOM 0 H SER A 64 6.031 7.491 10.095 1.00 0.00 H new ATOM 0 HA SER A 64 7.805 5.739 8.558 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.065 5.797 11.564 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.168 5.137 10.374 1.00 0.00 H new ATOM 0 HG SER A 64 9.908 7.164 11.227 1.00 0.00 H new ATOM 818 N THR A 65 6.176 3.943 9.050 1.00 0.00 N ATOM 819 CA THR A 65 5.176 2.918 9.268 1.00 0.00 C ATOM 820 C THR A 65 5.572 1.642 8.540 1.00 0.00 C ATOM 821 O THR A 65 6.314 1.688 7.561 1.00 0.00 O ATOM 822 CB THR A 65 3.820 3.420 8.780 1.00 0.00 C ATOM 823 OG1 THR A 65 2.932 3.512 9.871 1.00 0.00 O ATOM 824 CG2 THR A 65 3.259 2.447 7.747 1.00 0.00 C ATOM 0 H THR A 65 6.771 3.785 8.237 1.00 0.00 H new ATOM 0 HA THR A 65 5.106 2.696 10.333 1.00 0.00 H new ATOM 0 HB THR A 65 3.939 4.403 8.325 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.041 3.759 9.547 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.290 2.805 7.398 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.945 2.377 6.903 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.140 1.463 8.201 1.00 0.00 H new ATOM 832 N SER A 66 5.076 0.500 9.021 1.00 0.00 N ATOM 833 CA SER A 66 5.379 -0.780 8.414 1.00 0.00 C ATOM 834 C SER A 66 4.108 -1.398 7.849 1.00 0.00 C ATOM 835 O SER A 66 3.122 -1.558 8.564 1.00 0.00 O ATOM 836 CB SER A 66 6.010 -1.699 9.456 1.00 0.00 C ATOM 837 OG SER A 66 7.405 -1.747 9.256 1.00 0.00 O ATOM 0 H SER A 66 4.461 0.445 9.833 1.00 0.00 H new ATOM 0 HA SER A 66 6.085 -0.640 7.596 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.788 -1.336 10.459 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.586 -2.700 9.378 1.00 0.00 H new ATOM 0 HG SER A 66 7.811 -2.336 9.926 1.00 0.00 H new ATOM 843 N LEU A 67 4.134 -1.747 6.560 1.00 0.00 N ATOM 844 CA LEU A 67 2.988 -2.345 5.906 1.00 0.00 C ATOM 845 C LEU A 67 3.231 -3.833 5.698 1.00 0.00 C ATOM 846 O LEU A 67 4.215 -4.222 5.073 1.00 0.00 O ATOM 847 CB LEU A 67 2.741 -1.646 4.573 1.00 0.00 C ATOM 848 CG LEU A 67 1.250 -1.678 4.250 1.00 0.00 C ATOM 849 CD1 LEU A 67 0.826 -3.112 3.943 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.459 -1.159 5.448 1.00 0.00 C ATOM 0 H LEU A 67 4.945 -1.621 5.954 1.00 0.00 H new ATOM 0 HA LEU A 67 2.104 -2.226 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.092 -0.615 4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.306 -2.139 3.782 1.00 0.00 H new ATOM 0 HG LEU A 67 1.052 -1.048 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.239 -3.135 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.391 -3.483 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.023 -3.743 4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.606 -1.182 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.656 -1.789 6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.761 -0.135 5.668 1.00 0.00 H new ATOM 862 N THR A 68 2.330 -4.667 6.223 1.00 0.00 N ATOM 863 CA THR A 68 2.454 -6.105 6.089 1.00 0.00 C ATOM 864 C THR A 68 2.012 -6.536 4.698 1.00 0.00 C ATOM 865 O THR A 68 0.993 -6.068 4.194 1.00 0.00 O ATOM 866 CB THR A 68 1.611 -6.789 7.160 1.00 0.00 C ATOM 867 OG1 THR A 68 1.241 -8.075 6.717 1.00 0.00 O ATOM 868 CG2 THR A 68 0.356 -5.962 7.426 1.00 0.00 C ATOM 0 H THR A 68 1.508 -4.362 6.744 1.00 0.00 H new ATOM 0 HA THR A 68 3.496 -6.397 6.223 1.00 0.00 H new ATOM 0 HB THR A 68 2.191 -6.874 8.079 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.720 -8.751 7.240 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.246 -6.451 8.192 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.641 -4.968 7.769 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.225 -5.876 6.507 1.00 0.00 H new ATOM 876 N VAL A 69 2.783 -7.432 4.077 1.00 0.00 N ATOM 877 CA VAL A 69 2.469 -7.922 2.750 1.00 0.00 C ATOM 878 C VAL A 69 2.094 -9.395 2.821 1.00 0.00 C ATOM 879 O VAL A 69 2.860 -10.208 3.334 1.00 0.00 O ATOM 880 CB VAL A 69 3.671 -7.713 1.834 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.912 -7.437 2.678 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.895 -8.968 0.995 1.00 0.00 C ATOM 0 H VAL A 69 3.631 -7.829 4.481 1.00 0.00 H new ATOM 0 HA VAL A 69 1.621 -7.370 2.345 1.00 0.00 H new ATOM 0 HB VAL A 69 3.483 -6.865 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.771 -7.288 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.752 -6.541 3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.100 -8.285 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.754 -8.819 0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.083 -9.817 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.009 -9.165 0.392 1.00 0.00 H new ATOM 892 N ARG A 70 0.912 -9.738 2.303 1.00 0.00 N ATOM 893 CA ARG A 70 0.442 -11.108 2.311 1.00 0.00 C ATOM 894 C ARG A 70 0.424 -11.655 0.890 1.00 0.00 C ATOM 895 O ARG A 70 0.661 -10.918 -0.064 1.00 0.00 O ATOM 896 CB ARG A 70 -0.952 -11.164 2.929 1.00 0.00 C ATOM 897 CG ARG A 70 -0.839 -11.527 4.407 1.00 0.00 C ATOM 898 CD ARG A 70 0.292 -10.724 5.043 1.00 0.00 C ATOM 899 NE ARG A 70 0.075 -10.560 6.481 1.00 0.00 N ATOM 900 CZ ARG A 70 0.352 -11.522 7.371 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.851 -12.694 6.957 1.00 0.00 N ATOM 902 NH2 ARG A 70 0.130 -11.312 8.676 1.00 0.00 N ATOM 0 H ARG A 70 0.267 -9.075 1.873 1.00 0.00 H new ATOM 0 HA ARG A 70 1.115 -11.724 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.450 -10.201 2.817 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.563 -11.901 2.408 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.779 -11.318 4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.648 -12.594 4.517 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.243 -11.229 4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.360 -9.745 4.568 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.303 -9.675 6.820 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.020 -12.854 5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.062 -13.426 7.635 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.250 -10.420 8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.341 -12.045 9.354 1.00 0.00 H new ATOM 916 N ARG A 71 0.141 -12.952 0.752 1.00 0.00 N ATOM 917 CA ARG A 71 0.094 -13.591 -0.548 1.00 0.00 C ATOM 918 C ARG A 71 -1.351 -13.711 -1.011 1.00 0.00 C ATOM 919 O ARG A 71 -1.609 -14.061 -2.161 1.00 0.00 O ATOM 920 CB ARG A 71 0.751 -14.965 -0.463 1.00 0.00 C ATOM 921 CG ARG A 71 -0.079 -15.870 0.443 1.00 0.00 C ATOM 922 CD ARG A 71 0.331 -17.324 0.224 1.00 0.00 C ATOM 923 NE ARG A 71 -0.309 -18.203 1.203 1.00 0.00 N ATOM 924 CZ ARG A 71 0.046 -19.485 1.368 1.00 0.00 C ATOM 925 NH1 ARG A 71 1.025 -20.011 0.620 1.00 0.00 N ATOM 926 NH2 ARG A 71 -0.579 -20.241 2.281 1.00 0.00 N ATOM 0 H ARG A 71 -0.059 -13.576 1.534 1.00 0.00 H new ATOM 0 HA ARG A 71 0.639 -12.988 -1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.832 -15.404 -1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.764 -14.872 -0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.069 -15.592 1.487 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.140 -15.744 0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.056 -17.635 -0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.414 -17.416 0.301 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.057 -17.824 1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.501 -19.436 -0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.295 -20.987 0.746 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.325 -19.841 2.850 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.309 -21.217 2.407 1.00 0.00 H new ATOM 940 N SER A 72 -2.294 -13.420 -0.113 1.00 0.00 N ATOM 941 CA SER A 72 -3.705 -13.496 -0.434 1.00 0.00 C ATOM 942 C SER A 72 -4.522 -12.835 0.666 1.00 0.00 C ATOM 943 O SER A 72 -4.158 -12.901 1.838 1.00 0.00 O ATOM 944 CB SER A 72 -4.109 -14.958 -0.604 1.00 0.00 C ATOM 945 OG SER A 72 -3.946 -15.635 0.623 1.00 0.00 O ATOM 0 H SER A 72 -2.096 -13.129 0.844 1.00 0.00 H new ATOM 0 HA SER A 72 -3.898 -12.968 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.146 -15.024 -0.934 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.499 -15.428 -1.375 1.00 0.00 H new ATOM 0 HG SER A 72 -4.207 -16.574 0.516 1.00 0.00 H new ATOM 951 N PHE A 73 -5.631 -12.196 0.286 1.00 0.00 N ATOM 952 CA PHE A 73 -6.492 -11.528 1.242 1.00 0.00 C ATOM 953 C PHE A 73 -7.714 -10.965 0.530 1.00 0.00 C ATOM 954 O PHE A 73 -7.674 -10.713 -0.672 1.00 0.00 O ATOM 955 CB PHE A 73 -5.712 -10.417 1.938 1.00 0.00 C ATOM 956 CG PHE A 73 -4.824 -9.628 1.006 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.393 -8.842 -0.003 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.433 -9.684 1.148 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.571 -8.111 -0.869 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.610 -8.954 0.282 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.180 -8.167 -0.726 1.00 0.00 C ATOM 0 H PHE A 73 -5.947 -12.132 -0.682 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.831 -12.242 1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.415 -9.737 2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.100 -10.853 2.727 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.466 -8.799 -0.113 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.994 -10.291 1.926 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.010 -7.504 -1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.536 -8.998 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.546 -7.603 -1.394 1.00 0.00 H new ATOM 971 N GLU A 74 -8.804 -10.768 1.276 1.00 0.00 N ATOM 972 CA GLU A 74 -10.028 -10.236 0.712 1.00 0.00 C ATOM 973 C GLU A 74 -9.748 -8.907 0.024 1.00 0.00 C ATOM 974 O GLU A 74 -9.387 -7.931 0.677 1.00 0.00 O ATOM 975 CB GLU A 74 -11.064 -10.064 1.819 1.00 0.00 C ATOM 976 CG GLU A 74 -10.493 -9.170 2.916 1.00 0.00 C ATOM 977 CD GLU A 74 -10.557 -9.863 4.270 1.00 0.00 C ATOM 978 OE1 GLU A 74 -9.988 -10.972 4.367 1.00 0.00 O ATOM 979 OE2 GLU A 74 -11.174 -9.272 5.181 1.00 0.00 O ATOM 0 H GLU A 74 -8.855 -10.972 2.274 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.420 -10.930 -0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.975 -9.624 1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.336 -11.036 2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.459 -8.915 2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.051 -8.234 2.955 1.00 0.00 H new ATOM 986 N GLY A 75 -9.915 -8.872 -1.300 1.00 0.00 N ATOM 987 CA GLY A 75 -9.679 -7.663 -2.065 1.00 0.00 C ATOM 988 C GLY A 75 -10.868 -6.720 -1.940 1.00 0.00 C ATOM 989 O GLY A 75 -11.883 -6.905 -2.607 1.00 0.00 O ATOM 0 H GLY A 75 -10.213 -9.672 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.775 -7.169 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.513 -7.914 -3.113 1.00 0.00 H new ATOM 993 N PHE A 76 -10.739 -5.705 -1.082 1.00 0.00 N ATOM 994 CA PHE A 76 -11.801 -4.741 -0.876 1.00 0.00 C ATOM 995 C PHE A 76 -11.719 -3.649 -1.933 1.00 0.00 C ATOM 996 O PHE A 76 -10.895 -2.743 -1.831 1.00 0.00 O ATOM 997 CB PHE A 76 -11.682 -4.148 0.525 1.00 0.00 C ATOM 998 CG PHE A 76 -12.847 -4.489 1.424 1.00 0.00 C ATOM 999 CD1 PHE A 76 -14.101 -3.912 1.194 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.671 -5.380 2.490 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.180 -4.226 2.029 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.750 -5.694 3.324 1.00 0.00 C ATOM 1003 CZ PHE A 76 -15.005 -5.117 3.094 1.00 0.00 C ATOM 0 H PHE A 76 -9.904 -5.537 -0.521 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.769 -5.234 -0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.761 -4.506 0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.599 -3.064 0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.236 -3.224 0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.703 -5.825 2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.148 -3.781 1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.615 -6.382 4.146 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.837 -5.359 3.738 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.579 -3.737 -2.952 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.600 -2.758 -4.021 1.00 0.00 C ATOM 1015 C LEU A 77 -12.737 -1.359 -3.437 1.00 0.00 C ATOM 1016 O LEU A 77 -13.537 -1.136 -2.532 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.758 -3.065 -4.966 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.283 -1.763 -5.566 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -13.220 -1.158 -6.479 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.546 -2.048 -6.373 1.00 0.00 C ATOM 0 H LEU A 77 -13.268 -4.482 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.667 -2.806 -4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.427 -3.736 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.555 -3.577 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.515 -1.061 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.595 -0.228 -6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.318 -0.954 -5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.987 -1.859 -7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.921 -1.119 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.315 -2.750 -7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.305 -2.479 -5.720 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.951 -0.414 -3.959 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.990 0.956 -3.488 1.00 0.00 C ATOM 1034 C PHE A 78 -13.435 1.422 -3.374 1.00 0.00 C ATOM 1035 O PHE A 78 -13.791 2.118 -2.425 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.209 1.846 -4.451 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.831 2.210 -3.951 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.957 1.207 -3.514 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.426 3.550 -3.928 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.679 1.544 -3.053 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -8.148 3.887 -3.467 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.274 2.884 -3.029 1.00 0.00 C ATOM 0 H PHE A 78 -11.281 -0.582 -4.710 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.530 1.019 -2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.116 1.336 -5.410 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.775 2.760 -4.629 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.269 0.173 -3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.100 4.324 -4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.005 0.770 -2.716 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.836 4.921 -3.449 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.288 3.144 -2.673 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.267 1.037 -4.344 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.665 1.418 -4.348 1.00 0.00 C ATOM 1054 C ASP A 79 -16.323 0.971 -3.050 1.00 0.00 C ATOM 1055 O ASP A 79 -17.394 1.458 -2.696 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.359 0.788 -5.552 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.191 1.819 -6.301 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.645 2.916 -6.550 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -18.357 1.492 -6.610 1.00 0.00 O ATOM 0 H ASP A 79 -13.987 0.459 -5.136 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.752 2.502 -4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.614 0.359 -6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.999 -0.030 -5.221 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.680 0.041 -2.340 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.210 -0.462 -1.089 1.00 0.00 C ATOM 1066 C GLY A 80 -16.957 -1.769 -1.319 1.00 0.00 C ATOM 1067 O GLY A 80 -17.875 -2.103 -0.574 1.00 0.00 O ATOM 0 H GLY A 80 -14.791 -0.374 -2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.398 -0.619 -0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.881 0.275 -0.648 1.00 0.00 H new ATOM 1071 N THR A 81 -16.560 -2.510 -2.357 1.00 0.00 N ATOM 1072 CA THR A 81 -17.194 -3.773 -2.676 1.00 0.00 C ATOM 1073 C THR A 81 -16.225 -4.919 -2.419 1.00 0.00 C ATOM 1074 O THR A 81 -15.029 -4.793 -2.673 1.00 0.00 O ATOM 1075 CB THR A 81 -17.642 -3.762 -4.135 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.877 -3.090 -4.242 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.799 -5.197 -4.631 1.00 0.00 C ATOM 0 H THR A 81 -15.801 -2.249 -2.986 1.00 0.00 H new ATOM 0 HA THR A 81 -18.068 -3.915 -2.041 1.00 0.00 H new ATOM 0 HB THR A 81 -16.895 -3.249 -4.740 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.164 -3.081 -5.179 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.119 -5.189 -5.673 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.845 -5.717 -4.549 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.546 -5.711 -4.026 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.746 -6.039 -1.913 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.929 -7.200 -1.623 1.00 0.00 C ATOM 1087 C ARG A 82 -15.661 -7.975 -2.906 1.00 0.00 C ATOM 1088 O ARG A 82 -16.466 -8.812 -3.307 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.641 -8.079 -0.599 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.607 -8.754 0.298 1.00 0.00 C ATOM 1091 CD ARG A 82 -15.875 -10.255 0.342 1.00 0.00 C ATOM 1092 NE ARG A 82 -17.027 -10.558 1.191 1.00 0.00 N ATOM 1093 CZ ARG A 82 -17.616 -11.762 1.212 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -17.151 -12.749 0.435 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -18.671 -11.978 2.011 1.00 0.00 N ATOM 0 H ARG A 82 -17.736 -6.158 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.973 -6.882 -1.207 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.322 -7.477 0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.244 -8.831 -1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.602 -8.564 -0.080 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.654 -8.336 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.055 -10.625 -0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.994 -10.774 0.720 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.398 -9.822 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.349 -12.585 -0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.599 -13.665 0.451 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -19.025 -11.226 2.603 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.119 -12.894 2.027 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.525 -7.695 -3.549 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.161 -8.370 -4.779 1.00 0.00 C ATOM 1111 C TRP A 83 -13.965 -9.856 -4.516 1.00 0.00 C ATOM 1112 O TRP A 83 -14.634 -10.690 -5.123 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.886 -7.747 -5.341 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.926 -7.443 -6.804 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.753 -6.220 -7.352 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -13.152 -8.353 -7.924 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.855 -6.310 -8.724 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -13.101 -7.605 -9.131 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.394 -9.733 -8.042 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -13.281 -8.193 -10.387 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.576 -10.332 -9.297 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -13.521 -9.568 -10.468 1.00 0.00 C ATOM 0 H TRP A 83 -13.846 -7.003 -3.231 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.960 -8.255 -5.511 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.680 -6.824 -4.799 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -12.053 -8.423 -5.148 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.564 -5.311 -6.800 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.760 -5.518 -9.359 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -13.441 -10.342 -7.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -13.235 -7.592 -11.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.761 -11.394 -9.360 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.663 -10.038 -11.430 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.044 -10.187 -3.608 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.769 -11.570 -3.273 1.00 0.00 C ATOM 1135 C GLY A 84 -11.318 -11.729 -2.839 1.00 0.00 C ATOM 1136 O GLY A 84 -10.534 -10.788 -2.930 1.00 0.00 O ATOM 0 H GLY A 84 -12.480 -9.509 -3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.433 -11.897 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.970 -12.207 -4.134 1.00 0.00 H new ATOM 1140 N THR A 85 -10.963 -12.926 -2.366 1.00 0.00 N ATOM 1141 CA THR A 85 -9.610 -13.198 -1.923 1.00 0.00 C ATOM 1142 C THR A 85 -8.643 -13.052 -3.089 1.00 0.00 C ATOM 1143 O THR A 85 -8.572 -13.924 -3.953 1.00 0.00 O ATOM 1144 CB THR A 85 -9.542 -14.605 -1.336 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.812 -14.972 -0.845 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.528 -14.633 -0.196 1.00 0.00 C ATOM 0 H THR A 85 -11.601 -13.718 -2.283 1.00 0.00 H new ATOM 0 HA THR A 85 -9.326 -12.482 -1.152 1.00 0.00 H new ATOM 0 HB THR A 85 -9.236 -15.307 -2.111 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.769 -15.876 -0.470 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.480 -15.638 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.546 -14.350 -0.575 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.833 -13.931 0.580 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.897 -11.946 -3.111 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.939 -11.690 -4.168 1.00 0.00 C ATOM 1156 C VAL A 86 -5.666 -12.485 -3.912 1.00 0.00 C ATOM 1157 O VAL A 86 -5.326 -12.763 -2.764 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.639 -10.195 -4.231 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -6.040 -9.739 -2.904 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.647 -9.923 -5.358 1.00 0.00 C ATOM 0 H VAL A 86 -7.944 -11.215 -2.401 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.355 -12.004 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.562 -9.647 -4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.826 -8.671 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.749 -9.933 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.117 -10.286 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.432 -8.855 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.724 -10.471 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.075 -10.248 -6.306 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.962 -12.851 -4.986 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.734 -13.611 -4.872 1.00 0.00 C ATOM 1172 C ASP A 87 -2.544 -12.715 -5.182 1.00 0.00 C ATOM 1173 O ASP A 87 -2.217 -12.495 -6.346 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.781 -14.799 -5.829 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.134 -16.080 -5.087 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.421 -15.975 -3.875 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.110 -17.142 -5.747 1.00 0.00 O ATOM 0 H ASP A 87 -5.230 -12.628 -5.944 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.626 -13.986 -3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.517 -14.612 -6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.815 -14.913 -6.321 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.895 -12.197 -4.136 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.746 -11.329 -4.301 1.00 0.00 C ATOM 1184 C CYS A 88 0.288 -12.007 -5.189 1.00 0.00 C ATOM 1185 O CYS A 88 1.109 -11.338 -5.812 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.155 -11.004 -2.933 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.697 -9.415 -2.256 1.00 0.00 S ATOM 0 H CYS A 88 -2.154 -12.370 -3.165 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.053 -10.399 -4.779 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.425 -11.796 -2.234 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.932 -11.003 -3.009 1.00 0.00 H new ATOM 1192 N THR A 89 0.247 -13.341 -5.246 1.00 0.00 N ATOM 1193 CA THR A 89 1.180 -14.096 -6.058 1.00 0.00 C ATOM 1194 C THR A 89 0.664 -14.195 -7.486 1.00 0.00 C ATOM 1195 O THR A 89 1.295 -14.819 -8.336 1.00 0.00 O ATOM 1196 CB THR A 89 1.368 -15.485 -5.454 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.193 -16.241 -5.639 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.660 -15.356 -3.962 1.00 0.00 C ATOM 0 H THR A 89 -0.426 -13.913 -4.736 1.00 0.00 H new ATOM 0 HA THR A 89 2.144 -13.587 -6.078 1.00 0.00 H new ATOM 0 HB THR A 89 2.203 -15.985 -5.946 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.314 -17.134 -5.253 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.794 -16.348 -3.530 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.569 -14.772 -3.818 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.826 -14.856 -3.470 1.00 0.00 H new ATOM 1206 N THR A 90 -0.489 -13.576 -7.750 1.00 0.00 N ATOM 1207 CA THR A 90 -1.080 -13.598 -9.072 1.00 0.00 C ATOM 1208 C THR A 90 -1.052 -12.202 -9.677 1.00 0.00 C ATOM 1209 O THR A 90 -1.025 -12.051 -10.896 1.00 0.00 O ATOM 1210 CB THR A 90 -2.512 -14.118 -8.980 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.501 -15.528 -8.976 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.313 -13.619 -10.179 1.00 0.00 C ATOM 0 H THR A 90 -1.026 -13.054 -7.057 1.00 0.00 H new ATOM 0 HA THR A 90 -0.506 -14.262 -9.718 1.00 0.00 H new ATOM 0 HB THR A 90 -2.971 -13.756 -8.060 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.420 -15.862 -8.915 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.336 -13.990 -10.113 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.322 -12.529 -10.182 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.854 -13.981 -11.099 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.057 -11.179 -8.819 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.032 -9.803 -9.270 1.00 0.00 C ATOM 1222 C ALA A 91 -0.009 -9.014 -8.465 1.00 0.00 C ATOM 1223 O ALA A 91 0.644 -9.564 -7.580 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.424 -9.194 -9.119 1.00 0.00 C ATOM 0 H ALA A 91 -1.078 -11.288 -7.805 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.745 -9.766 -10.321 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.407 -8.158 -9.458 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.136 -9.760 -9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.724 -9.228 -8.072 1.00 0.00 H new ATOM 1230 N ALA A 92 0.131 -7.723 -8.775 1.00 0.00 N ATOM 1231 CA ALA A 92 1.073 -6.868 -8.082 1.00 0.00 C ATOM 1232 C ALA A 92 0.367 -6.129 -6.954 1.00 0.00 C ATOM 1233 O ALA A 92 -0.670 -5.505 -7.172 1.00 0.00 O ATOM 1234 CB ALA A 92 1.688 -5.884 -9.072 1.00 0.00 C ATOM 0 H ALA A 92 -0.403 -7.253 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 92 1.869 -7.473 -7.649 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.397 -5.240 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.206 -6.434 -9.858 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.901 -5.274 -9.515 1.00 0.00 H new ATOM 1240 N CYS A 93 0.930 -6.202 -5.746 1.00 0.00 N ATOM 1241 CA CYS A 93 0.353 -5.542 -4.592 1.00 0.00 C ATOM 1242 C CYS A 93 1.158 -4.294 -4.257 1.00 0.00 C ATOM 1243 O CYS A 93 2.348 -4.221 -4.558 1.00 0.00 O ATOM 1244 CB CYS A 93 0.335 -6.508 -3.411 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.426 -8.108 -3.781 1.00 0.00 S ATOM 0 H CYS A 93 1.789 -6.716 -5.550 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.671 -5.241 -4.813 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.358 -6.673 -3.074 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.202 -6.044 -2.584 1.00 0.00 H new ATOM 1250 N GLN A 94 0.507 -3.311 -3.631 1.00 0.00 N ATOM 1251 CA GLN A 94 1.165 -2.074 -3.260 1.00 0.00 C ATOM 1252 C GLN A 94 0.562 -1.535 -1.970 1.00 0.00 C ATOM 1253 O GLN A 94 -0.628 -1.709 -1.719 1.00 0.00 O ATOM 1254 CB GLN A 94 1.015 -1.061 -4.392 1.00 0.00 C ATOM 1255 CG GLN A 94 -0.139 -0.114 -4.078 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.736 0.457 -5.356 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.210 0.233 -6.443 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.838 1.199 -5.222 1.00 0.00 N ATOM 0 H GLN A 94 -0.479 -3.356 -3.373 1.00 0.00 H new ATOM 0 HA GLN A 94 2.226 -2.258 -3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.940 -0.497 -4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.830 -1.577 -5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.909 -0.645 -3.518 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.214 0.698 -3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.237 1.356 -4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.280 1.608 -6.045 1.00 0.00 H new ATOM 1267 N VAL A 95 1.388 -0.878 -1.153 1.00 0.00 N ATOM 1268 CA VAL A 95 0.935 -0.317 0.104 1.00 0.00 C ATOM 1269 C VAL A 95 0.947 1.203 0.023 1.00 0.00 C ATOM 1270 O VAL A 95 1.626 1.776 -0.825 1.00 0.00 O ATOM 1271 CB VAL A 95 1.837 -0.806 1.233 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.793 0.191 2.388 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.350 -2.169 1.719 1.00 0.00 C ATOM 0 H VAL A 95 2.377 -0.725 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.085 -0.643 0.306 1.00 0.00 H new ATOM 0 HB VAL A 95 2.860 -0.894 0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.437 -0.158 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.140 1.164 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.770 0.280 2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.994 -2.519 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.327 -2.081 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.381 -2.882 0.895 1.00 0.00 H new ATOM 1283 N GLY A 96 0.192 1.856 0.910 1.00 0.00 N ATOM 1284 CA GLY A 96 0.124 3.304 0.930 1.00 0.00 C ATOM 1285 C GLY A 96 -0.734 3.775 2.097 1.00 0.00 C ATOM 1286 O GLY A 96 -1.450 2.982 2.705 1.00 0.00 O ATOM 0 H GLY A 96 -0.378 1.397 1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.127 3.721 1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.294 3.669 -0.008 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.659 5.071 2.408 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.426 5.641 3.498 1.00 0.00 C ATOM 1292 C LEU A 97 -2.199 6.856 3.005 1.00 0.00 C ATOM 1293 O LEU A 97 -1.612 7.794 2.472 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.484 6.025 4.636 1.00 0.00 C ATOM 1295 CG LEU A 97 0.459 7.128 4.164 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.566 8.202 5.244 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.839 6.537 3.895 1.00 0.00 C ATOM 0 H LEU A 97 -0.070 5.741 1.913 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.141 4.906 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.057 6.366 5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.089 5.155 4.958 1.00 0.00 H new ATOM 0 HG LEU A 97 0.070 7.572 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.239 8.990 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.420 8.625 5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.955 7.759 6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.513 7.325 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.229 6.093 4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.762 5.770 3.124 1.00 0.00 H new ATOM 1309 N SER A 98 -3.522 6.837 3.185 1.00 0.00 N ATOM 1310 CA SER A 98 -4.366 7.935 2.760 1.00 0.00 C ATOM 1311 C SER A 98 -4.859 8.708 3.975 1.00 0.00 C ATOM 1312 O SER A 98 -5.127 8.121 5.021 1.00 0.00 O ATOM 1313 CB SER A 98 -5.541 7.389 1.954 1.00 0.00 C ATOM 1314 OG SER A 98 -5.107 7.062 0.653 1.00 0.00 O ATOM 0 H SER A 98 -4.025 6.066 3.625 1.00 0.00 H new ATOM 0 HA SER A 98 -3.794 8.615 2.129 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.953 6.507 2.444 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.339 8.130 1.907 1.00 0.00 H new ATOM 0 HG SER A 98 -5.861 6.710 0.136 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.979 10.030 3.834 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.438 10.876 4.918 1.00 0.00 C ATOM 1322 C ASP A 99 -6.893 11.261 4.690 1.00 0.00 C ATOM 1323 O ASP A 99 -7.597 10.605 3.926 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.556 12.119 5.000 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.084 13.221 4.093 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.185 12.955 2.876 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.378 14.309 4.634 1.00 0.00 O ATOM 0 H ASP A 99 -4.762 10.532 2.973 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.369 10.335 5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.519 12.476 6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.535 11.865 4.714 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.342 12.327 5.356 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.708 12.791 5.224 1.00 0.00 C ATOM 1334 C ALA A 100 -8.928 13.356 3.828 1.00 0.00 C ATOM 1335 O ALA A 100 -9.911 13.023 3.170 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.989 13.851 6.286 1.00 0.00 C ATOM 0 H ALA A 100 -6.770 12.881 5.993 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.395 11.957 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.017 14.201 6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.846 13.420 7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.306 14.690 6.153 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.009 14.212 3.377 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.107 14.818 2.064 1.00 0.00 C ATOM 1344 C ALA A 101 -7.937 13.753 0.990 1.00 0.00 C ATOM 1345 O ALA A 101 -8.408 13.920 -0.132 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.043 15.902 1.924 1.00 0.00 C ATOM 0 H ALA A 101 -7.188 14.497 3.911 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.089 15.274 1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.116 16.358 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.197 16.664 2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.054 15.460 2.047 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.261 12.655 1.337 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.035 11.573 0.399 1.00 0.00 C ATOM 1354 C GLY A 102 -5.691 11.749 -0.295 1.00 0.00 C ATOM 1355 O GLY A 102 -5.619 11.751 -1.521 1.00 0.00 O ATOM 0 H GLY A 102 -6.864 12.500 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.059 10.617 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.835 11.551 -0.342 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.625 11.896 0.495 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.293 12.071 -0.047 1.00 0.00 C ATOM 1361 C ASN A 103 -2.309 11.178 0.696 1.00 0.00 C ATOM 1362 O ASN A 103 -2.650 10.594 1.723 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.886 13.537 0.071 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.039 13.768 1.314 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -0.944 14.320 1.227 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.548 13.345 2.473 1.00 0.00 N ATOM 0 H ASN A 103 -4.668 11.896 1.514 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.286 11.787 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.327 13.836 -0.816 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.777 14.164 0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.023 13.475 3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.462 12.892 2.494 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.085 11.072 0.175 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.063 10.251 0.793 1.00 0.00 C ATOM 1375 C GLY A 104 1.264 10.425 0.068 1.00 0.00 C ATOM 1376 O GLY A 104 1.349 11.170 -0.905 1.00 0.00 O ATOM 0 H GLY A 104 -0.785 11.549 -0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.049 10.526 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.364 9.204 0.768 1.00 0.00 H new ATOM 1380 N PRO A 105 2.302 9.735 0.547 1.00 0.00 N ATOM 1381 CA PRO A 105 3.636 9.774 -0.013 1.00 0.00 C ATOM 1382 C PRO A 105 3.656 9.024 -1.337 1.00 0.00 C ATOM 1383 O PRO A 105 2.737 8.266 -1.638 1.00 0.00 O ATOM 1384 CB PRO A 105 4.516 9.079 1.024 1.00 0.00 C ATOM 1385 CG PRO A 105 3.555 8.080 1.668 1.00 0.00 C ATOM 1386 CD PRO A 105 2.237 8.850 1.690 1.00 0.00 C ATOM 0 HA PRO A 105 3.982 10.788 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.368 8.580 0.562 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.915 9.784 1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.477 7.161 1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.876 7.798 2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.384 8.175 1.619 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.123 9.411 2.618 1.00 0.00 H new ATOM 1394 N GLU A 106 4.708 9.238 -2.131 1.00 0.00 N ATOM 1395 CA GLU A 106 4.839 8.582 -3.416 1.00 0.00 C ATOM 1396 C GLU A 106 4.322 7.154 -3.325 1.00 0.00 C ATOM 1397 O GLU A 106 4.744 6.391 -2.459 1.00 0.00 O ATOM 1398 CB GLU A 106 6.303 8.601 -3.848 1.00 0.00 C ATOM 1399 CG GLU A 106 7.166 7.989 -2.748 1.00 0.00 C ATOM 1400 CD GLU A 106 7.831 6.708 -3.228 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.607 6.802 -4.203 1.00 0.00 O ATOM 1402 OE2 GLU A 106 7.550 5.657 -2.611 1.00 0.00 O ATOM 0 H GLU A 106 5.479 9.864 -1.898 1.00 0.00 H new ATOM 0 HA GLU A 106 4.246 9.113 -4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.427 8.042 -4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.621 9.624 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.928 8.704 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.551 7.778 -1.873 1.00 0.00 H new ATOM 1409 N GLY A 107 3.403 6.791 -4.224 1.00 0.00 N ATOM 1410 CA GLY A 107 2.837 5.457 -4.238 1.00 0.00 C ATOM 1411 C GLY A 107 3.929 4.418 -4.025 1.00 0.00 C ATOM 1412 O GLY A 107 5.094 4.668 -4.326 1.00 0.00 O ATOM 0 H GLY A 107 3.040 7.410 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.082 5.367 -3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.335 5.277 -5.189 1.00 0.00 H new ATOM 1416 N VAL A 108 3.549 3.249 -3.504 1.00 0.00 N ATOM 1417 CA VAL A 108 4.494 2.180 -3.253 1.00 0.00 C ATOM 1418 C VAL A 108 4.088 0.940 -4.037 1.00 0.00 C ATOM 1419 O VAL A 108 3.153 0.240 -3.655 1.00 0.00 O ATOM 1420 CB VAL A 108 4.539 1.883 -1.757 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.049 0.462 -1.535 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.476 2.872 -1.070 1.00 0.00 C ATOM 0 H VAL A 108 2.587 3.027 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 108 5.489 2.483 -3.580 1.00 0.00 H new ATOM 0 HB VAL A 108 3.538 1.979 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.081 0.250 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.380 -0.245 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.050 0.365 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.508 2.660 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.477 2.776 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.112 3.887 -1.228 1.00 0.00 H new ATOM 1432 N ALA A 109 4.795 0.670 -5.137 1.00 0.00 N ATOM 1433 CA ALA A 109 4.506 -0.481 -5.969 1.00 0.00 C ATOM 1434 C ALA A 109 5.285 -1.688 -5.467 1.00 0.00 C ATOM 1435 O ALA A 109 6.503 -1.623 -5.313 1.00 0.00 O ATOM 1436 CB ALA A 109 4.869 -0.165 -7.417 1.00 0.00 C ATOM 0 H ALA A 109 5.574 1.241 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 109 3.442 -0.714 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.652 -1.030 -8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.284 0.688 -7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.931 0.073 -7.482 1.00 0.00 H new ATOM 1442 N ILE A 110 4.579 -2.792 -5.212 1.00 0.00 N ATOM 1443 CA ILE A 110 5.205 -4.008 -4.731 1.00 0.00 C ATOM 1444 C ILE A 110 5.322 -5.011 -5.869 1.00 0.00 C ATOM 1445 O ILE A 110 4.603 -4.914 -6.861 1.00 0.00 O ATOM 1446 CB ILE A 110 4.380 -4.584 -3.583 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.787 -3.444 -2.760 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.277 -5.441 -2.694 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.084 -4.016 -1.533 1.00 0.00 C ATOM 0 H ILE A 110 3.569 -2.860 -5.334 1.00 0.00 H new ATOM 0 HA ILE A 110 6.207 -3.787 -4.364 1.00 0.00 H new ATOM 0 HB ILE A 110 3.574 -5.197 -3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.574 -2.755 -2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.081 -2.874 -3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.689 -5.853 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.701 -6.255 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.083 -4.827 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.660 -3.202 -0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.287 -4.688 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.802 -4.567 -0.926 1.00 0.00 H new ATOM 1461 N SER A 111 6.232 -5.978 -5.725 1.00 0.00 N ATOM 1462 CA SER A 111 6.436 -6.992 -6.739 1.00 0.00 C ATOM 1463 C SER A 111 6.831 -8.307 -6.083 1.00 0.00 C ATOM 1464 O SER A 111 7.815 -8.367 -5.349 1.00 0.00 O ATOM 1465 CB SER A 111 7.516 -6.527 -7.712 1.00 0.00 C ATOM 1466 OG SER A 111 8.211 -7.648 -8.212 1.00 0.00 O ATOM 0 H SER A 111 6.837 -6.072 -4.909 1.00 0.00 H new ATOM 0 HA SER A 111 5.510 -7.150 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.066 -5.969 -8.533 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.208 -5.851 -7.209 1.00 0.00 H new ATOM 0 HG SER A 111 8.904 -7.351 -8.838 1.00 0.00 H new ATOM 1472 N PHE A 112 6.061 -9.365 -6.349 1.00 0.00 N ATOM 1473 CA PHE A 112 6.336 -10.670 -5.784 1.00 0.00 C ATOM 1474 C PHE A 112 7.147 -11.499 -6.770 1.00 0.00 C ATOM 1475 O PHE A 112 6.744 -11.672 -7.918 1.00 0.00 O ATOM 1476 CB PHE A 112 5.019 -11.365 -5.447 1.00 0.00 C ATOM 1477 CG PHE A 112 4.107 -10.538 -4.573 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.317 -9.531 -5.141 1.00 0.00 C ATOM 1479 CD2 PHE A 112 4.054 -10.775 -3.195 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.473 -8.763 -4.330 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.210 -10.007 -2.384 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.420 -9.001 -2.952 1.00 0.00 C ATOM 0 H PHE A 112 5.241 -9.334 -6.955 1.00 0.00 H new ATOM 0 HA PHE A 112 6.918 -10.559 -4.869 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.499 -11.608 -6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.233 -12.308 -4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.359 -9.347 -6.204 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.664 -11.551 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.863 -7.987 -4.768 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.169 -10.191 -1.321 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.769 -8.408 -2.327 1.00 0.00 H new ATOM 1492 N ASN A 113 8.294 -12.012 -6.319 1.00 0.00 N ATOM 1493 CA ASN A 113 9.153 -12.819 -7.163 1.00 0.00 C ATOM 1494 C ASN A 113 9.638 -11.995 -8.347 1.00 0.00 C ATOM 1495 O ASN A 113 10.002 -10.832 -8.190 1.00 0.00 O ATOM 1496 CB ASN A 113 8.385 -14.049 -7.638 1.00 0.00 C ATOM 1497 CG ASN A 113 7.917 -14.887 -6.458 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.593 -15.832 -6.058 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.756 -14.537 -5.898 1.00 0.00 N ATOM 0 H ASN A 113 8.643 -11.878 -5.370 1.00 0.00 H new ATOM 0 HA ASN A 113 10.024 -13.146 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.526 -13.739 -8.232 1.00 0.00 H new ATOM 0 HB3 ASN A 113 9.021 -14.651 -8.287 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.395 -15.063 -5.102 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.231 -13.744 -6.266 1.00 0.00 H new