USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 648 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 52 SER OG : rot 13:sc= 0.775 USER MOD Set 1.2: A 72 MET CE :methyl -132:sc= -0.545 (180deg=-2.73!) USER MOD Set 2.1: A 36 THR OG1 : rot 170:sc= 0 USER MOD Set 2.2: A 65 HIS : no HD1:sc= -0.982 X(o=-0.98,f=-0.57) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 17 TYR OH : rot 180:sc= -1.62! USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 154:sc= 0.634 USER MOD Single : A 29 SER OG : rot 40:sc= 0.591 USER MOD Single : A 30 SER OG : rot 44:sc= 0.855 USER MOD Single : A 35 ASN : amide:sc= -0.522 K(o=-0.52,f=-1.3) USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.967 USER MOD Single : A 53 LYS NZ :NH3+ -156:sc= -0.519 (180deg=-1.38) USER MOD Single : A 55 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.47) USER MOD Single : A 58 CYS SG : rot 28:sc= 0.221 USER MOD Single : A 61 CYS SG : rot 180:sc= -6.65! USER MOD Single : A 68 THR OG1 : rot -112:sc= 1.28 USER MOD Single : A 69 TYR OH : rot 165:sc= 0.288 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc=-0.000332 X(o=-0.00033,f=-0.33) USER MOD Single : A 77 TYR OH : rot 163:sc= 0.907 USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= 1.17 (180deg=1.09) USER MOD Single : A 83 TYR OH : rot -37:sc= -1.19 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 88 HIS : no HD1:sc= -2! X(o=-2!,f=-1.8) USER MOD Single : A 92 SER OG : rot 2:sc= 1.9 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.206 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 7.090 -17.225 1.180 1.00 0.00 N ATOM 84 CA ASP A 10 6.374 -17.394 2.439 1.00 0.00 C ATOM 85 C ASP A 10 5.662 -16.105 2.836 1.00 0.00 C ATOM 86 O ASP A 10 6.240 -15.214 3.460 1.00 0.00 O ATOM 87 CB ASP A 10 7.338 -17.821 3.546 1.00 0.00 C ATOM 88 CG ASP A 10 8.408 -18.772 3.048 1.00 0.00 C ATOM 89 OD1 ASP A 10 8.057 -19.901 2.644 1.00 0.00 O ATOM 90 OD2 ASP A 10 9.596 -18.388 3.061 1.00 0.00 O ATOM 0 HA ASP A 10 5.625 -18.174 2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.812 -16.937 3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.776 -18.299 4.348 1.00 0.00 H new ATOM 95 N PRO A 11 4.377 -16.000 2.466 1.00 0.00 N ATOM 96 CA PRO A 11 3.558 -14.823 2.773 1.00 0.00 C ATOM 97 C PRO A 11 3.242 -14.709 4.260 1.00 0.00 C ATOM 98 O PRO A 11 3.171 -13.609 4.807 1.00 0.00 O ATOM 99 CB PRO A 11 2.277 -15.063 1.971 1.00 0.00 C ATOM 100 CG PRO A 11 2.201 -16.542 1.811 1.00 0.00 C ATOM 101 CD PRO A 11 3.623 -17.022 1.721 1.00 0.00 C ATOM 0 HA PRO A 11 4.068 -13.894 2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.403 -14.676 2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.316 -14.562 1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.687 -17.000 2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.641 -16.809 0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.742 -18.011 2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.958 -17.094 0.686 1.00 0.00 H new ATOM 109 N GLY A 12 3.052 -15.853 4.910 1.00 0.00 N ATOM 110 CA GLY A 12 2.745 -15.859 6.329 1.00 0.00 C ATOM 111 C GLY A 12 3.756 -15.076 7.143 1.00 0.00 C ATOM 112 O GLY A 12 3.426 -14.529 8.197 1.00 0.00 O ATOM 0 H GLY A 12 3.105 -16.776 4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.752 -15.437 6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.714 -16.888 6.687 1.00 0.00 H new ATOM 116 N LEU A 13 4.991 -15.022 6.657 1.00 0.00 N ATOM 117 CA LEU A 13 6.054 -14.301 7.348 1.00 0.00 C ATOM 118 C LEU A 13 6.237 -12.905 6.761 1.00 0.00 C ATOM 119 O LEU A 13 7.290 -12.287 6.918 1.00 0.00 O ATOM 120 CB LEU A 13 7.368 -15.081 7.258 1.00 0.00 C ATOM 121 CG LEU A 13 7.292 -16.566 7.612 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.679 -17.189 7.599 1.00 0.00 C ATOM 123 CD2 LEU A 13 6.632 -16.758 8.969 1.00 0.00 C ATOM 0 H LEU A 13 5.281 -15.469 5.787 1.00 0.00 H new ATOM 0 HA LEU A 13 5.769 -14.200 8.395 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.753 -14.989 6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.095 -14.607 7.918 1.00 0.00 H new ATOM 0 HG LEU A 13 6.683 -17.068 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.605 -18.246 7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.116 -17.084 6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.312 -16.684 8.329 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.587 -17.821 9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.214 -16.242 9.733 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.622 -16.349 8.944 1.00 0.00 H new ATOM 135 N VAL A 14 5.203 -12.413 6.085 1.00 0.00 N ATOM 136 CA VAL A 14 5.248 -11.089 5.478 1.00 0.00 C ATOM 137 C VAL A 14 4.083 -10.227 5.951 1.00 0.00 C ATOM 138 O VAL A 14 2.925 -10.640 5.883 1.00 0.00 O ATOM 139 CB VAL A 14 5.217 -11.175 3.940 1.00 0.00 C ATOM 140 CG1 VAL A 14 5.146 -9.785 3.328 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.432 -11.932 3.425 1.00 0.00 C ATOM 0 H VAL A 14 4.325 -12.912 5.944 1.00 0.00 H new ATOM 0 HA VAL A 14 6.186 -10.630 5.790 1.00 0.00 H new ATOM 0 HB VAL A 14 4.323 -11.722 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.125 -9.867 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.242 -9.282 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.020 -9.209 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.394 -11.983 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.341 -11.414 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.433 -12.941 3.836 1.00 0.00 H new ATOM 151 N SER A 15 4.397 -9.028 6.429 1.00 0.00 N ATOM 152 CA SER A 15 3.375 -8.108 6.917 1.00 0.00 C ATOM 153 C SER A 15 3.748 -6.663 6.598 1.00 0.00 C ATOM 154 O SER A 15 4.909 -6.355 6.332 1.00 0.00 O ATOM 155 CB SER A 15 3.186 -8.276 8.426 1.00 0.00 C ATOM 156 OG SER A 15 3.070 -9.645 8.776 1.00 0.00 O ATOM 0 H SER A 15 5.350 -8.670 6.489 1.00 0.00 H new ATOM 0 HA SER A 15 2.438 -8.344 6.412 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.031 -7.833 8.953 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.293 -7.739 8.746 1.00 0.00 H new ATOM 0 HG SER A 15 2.952 -9.726 9.745 1.00 0.00 H new ATOM 162 N ALA A 16 2.754 -5.782 6.627 1.00 0.00 N ATOM 163 CA ALA A 16 2.976 -4.370 6.343 1.00 0.00 C ATOM 164 C ALA A 16 2.539 -3.499 7.516 1.00 0.00 C ATOM 165 O ALA A 16 1.501 -3.744 8.131 1.00 0.00 O ATOM 166 CB ALA A 16 2.237 -3.963 5.077 1.00 0.00 C ATOM 0 H ALA A 16 1.787 -6.021 6.844 1.00 0.00 H new ATOM 0 HA ALA A 16 4.045 -4.219 6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.412 -2.906 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.600 -4.556 4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.169 -4.135 5.208 1.00 0.00 H new ATOM 172 N TYR A 17 3.337 -2.482 7.821 1.00 0.00 N ATOM 173 CA TYR A 17 3.033 -1.576 8.922 1.00 0.00 C ATOM 174 C TYR A 17 3.199 -0.121 8.493 1.00 0.00 C ATOM 175 O TYR A 17 4.093 0.211 7.717 1.00 0.00 O ATOM 176 CB TYR A 17 3.940 -1.872 10.118 1.00 0.00 C ATOM 177 CG TYR A 17 5.414 -1.843 9.783 1.00 0.00 C ATOM 178 CD1 TYR A 17 6.113 -0.643 9.743 1.00 0.00 C ATOM 179 CD2 TYR A 17 6.106 -3.015 9.505 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.460 -0.612 9.437 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.453 -2.993 9.199 1.00 0.00 C ATOM 182 CZ TYR A 17 8.126 -1.789 9.166 1.00 0.00 C ATOM 183 OH TYR A 17 9.467 -1.763 8.860 1.00 0.00 O ATOM 0 H TYR A 17 4.199 -2.264 7.321 1.00 0.00 H new ATOM 0 HA TYR A 17 1.994 -1.734 9.213 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.740 -1.143 10.904 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.687 -2.853 10.521 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.595 0.281 9.955 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.582 -3.959 9.528 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.989 0.329 9.410 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.977 -3.913 8.987 1.00 0.00 H new ATOM 0 HH TYR A 17 9.783 -2.676 8.697 1.00 0.00 H new ATOM 193 N GLY A 18 2.328 0.743 9.006 1.00 0.00 N ATOM 194 CA GLY A 18 2.394 2.152 8.665 1.00 0.00 C ATOM 195 C GLY A 18 1.038 2.827 8.726 1.00 0.00 C ATOM 196 O GLY A 18 -0.006 2.175 8.691 1.00 0.00 O ATOM 0 H GLY A 18 1.579 0.492 9.651 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.078 2.656 9.347 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.806 2.261 7.662 1.00 0.00 H new ATOM 200 N PRO A 19 1.042 4.165 8.822 1.00 0.00 N ATOM 201 CA PRO A 19 -0.189 4.958 8.892 1.00 0.00 C ATOM 202 C PRO A 19 -0.954 4.957 7.573 1.00 0.00 C ATOM 203 O PRO A 19 -2.109 5.377 7.514 1.00 0.00 O ATOM 204 CB PRO A 19 0.314 6.366 9.218 1.00 0.00 C ATOM 205 CG PRO A 19 1.710 6.400 8.697 1.00 0.00 C ATOM 206 CD PRO A 19 2.250 5.007 8.870 1.00 0.00 C ATOM 0 HA PRO A 19 -0.889 4.561 9.627 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.305 7.127 8.743 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.287 6.558 10.291 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.728 6.698 7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.314 7.124 9.245 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.953 4.747 8.078 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.780 4.896 9.816 1.00 0.00 H new ATOM 214 N GLY A 20 -0.302 4.482 6.516 1.00 0.00 N ATOM 215 CA GLY A 20 -0.938 4.435 5.212 1.00 0.00 C ATOM 216 C GLY A 20 -2.015 3.372 5.130 1.00 0.00 C ATOM 217 O GLY A 20 -3.001 3.531 4.410 1.00 0.00 O ATOM 0 H GLY A 20 0.655 4.129 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.375 5.408 4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.183 4.242 4.450 1.00 0.00 H new ATOM 221 N LEU A 21 -1.826 2.283 5.866 1.00 0.00 N ATOM 222 CA LEU A 21 -2.789 1.187 5.873 1.00 0.00 C ATOM 223 C LEU A 21 -4.004 1.534 6.727 1.00 0.00 C ATOM 224 O LEU A 21 -5.144 1.390 6.288 1.00 0.00 O ATOM 225 CB LEU A 21 -2.132 -0.092 6.396 1.00 0.00 C ATOM 226 CG LEU A 21 -0.770 -0.441 5.796 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.068 -1.225 6.793 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.942 -1.229 4.505 1.00 0.00 C ATOM 0 H LEU A 21 -1.015 2.135 6.466 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.123 1.024 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.018 -0.003 7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.811 -0.925 6.215 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.248 0.488 5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.034 -1.464 6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.221 -0.626 7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.449 -2.148 7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.038 -1.469 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.484 -2.152 4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.503 -0.632 3.786 1.00 0.00 H new ATOM 240 N GLU A 22 -3.750 1.995 7.948 1.00 0.00 N ATOM 241 CA GLU A 22 -4.824 2.364 8.862 1.00 0.00 C ATOM 242 C GLU A 22 -5.524 3.637 8.394 1.00 0.00 C ATOM 243 O GLU A 22 -6.673 3.894 8.750 1.00 0.00 O ATOM 244 CB GLU A 22 -4.275 2.562 10.277 1.00 0.00 C ATOM 245 CG GLU A 22 -4.249 1.287 11.103 1.00 0.00 C ATOM 246 CD GLU A 22 -5.595 0.968 11.725 1.00 0.00 C ATOM 247 OE1 GLU A 22 -6.416 1.896 11.872 1.00 0.00 O ATOM 248 OE2 GLU A 22 -5.825 -0.212 12.065 1.00 0.00 O ATOM 0 H GLU A 22 -2.811 2.122 8.326 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.552 1.552 8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.264 2.964 10.213 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.882 3.307 10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.939 0.455 10.471 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.502 1.384 11.891 1.00 0.00 H new ATOM 255 N GLY A 23 -4.820 4.432 7.594 1.00 0.00 N ATOM 256 CA GLY A 23 -5.388 5.669 7.090 1.00 0.00 C ATOM 257 C GLY A 23 -4.696 6.895 7.650 1.00 0.00 C ATOM 258 O GLY A 23 -3.796 6.783 8.482 1.00 0.00 O ATOM 0 H GLY A 23 -3.866 4.242 7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.318 5.681 6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.448 5.707 7.341 1.00 0.00 H new ATOM 262 N GLY A 24 -5.115 8.071 7.192 1.00 0.00 N ATOM 263 CA GLY A 24 -4.517 9.306 7.663 1.00 0.00 C ATOM 264 C GLY A 24 -5.398 10.512 7.405 1.00 0.00 C ATOM 265 O GLY A 24 -6.495 10.619 7.956 1.00 0.00 O ATOM 0 H GLY A 24 -5.858 8.190 6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.320 9.226 8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.555 9.451 7.171 1.00 0.00 H new ATOM 269 N THR A 25 -4.919 11.426 6.566 1.00 0.00 N ATOM 270 CA THR A 25 -5.669 12.631 6.239 1.00 0.00 C ATOM 271 C THR A 25 -5.578 12.949 4.751 1.00 0.00 C ATOM 272 O THR A 25 -4.626 12.553 4.078 1.00 0.00 O ATOM 273 CB THR A 25 -5.162 13.844 7.043 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.463 13.671 8.432 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.797 15.131 6.538 1.00 0.00 C ATOM 0 H THR A 25 -4.014 11.354 6.101 1.00 0.00 H new ATOM 0 HA THR A 25 -6.709 12.437 6.504 1.00 0.00 H new ATOM 0 HB THR A 25 -4.082 13.914 6.912 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.136 14.445 8.936 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.424 15.974 7.120 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.542 15.275 5.488 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.880 15.068 6.643 1.00 0.00 H new ATOM 283 N THR A 26 -6.575 13.666 4.241 1.00 0.00 N ATOM 284 CA THR A 26 -6.607 14.036 2.832 1.00 0.00 C ATOM 285 C THR A 26 -5.452 14.968 2.481 1.00 0.00 C ATOM 286 O THR A 26 -5.032 15.786 3.298 1.00 0.00 O ATOM 287 CB THR A 26 -7.936 14.722 2.462 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.225 15.767 3.398 1.00 0.00 O ATOM 289 CG2 THR A 26 -9.078 13.718 2.446 1.00 0.00 C ATOM 0 H THR A 26 -7.371 14.002 4.783 1.00 0.00 H new ATOM 0 HA THR A 26 -6.511 13.113 2.261 1.00 0.00 H new ATOM 0 HB THR A 26 -7.834 15.147 1.463 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.792 16.442 2.970 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.006 14.226 2.182 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.869 12.940 1.711 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.180 13.267 3.433 1.00 0.00 H new ATOM 297 N GLY A 27 -4.944 14.838 1.260 1.00 0.00 N ATOM 298 CA GLY A 27 -3.842 15.676 0.822 1.00 0.00 C ATOM 299 C GLY A 27 -2.598 15.485 1.667 1.00 0.00 C ATOM 300 O GLY A 27 -1.737 16.363 1.724 1.00 0.00 O ATOM 0 H GLY A 27 -5.275 14.168 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.609 15.450 -0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.147 16.722 0.861 1.00 0.00 H new ATOM 304 N VAL A 28 -2.503 14.335 2.327 1.00 0.00 N ATOM 305 CA VAL A 28 -1.356 14.032 3.174 1.00 0.00 C ATOM 306 C VAL A 28 -0.626 12.786 2.686 1.00 0.00 C ATOM 307 O VAL A 28 -1.103 11.665 2.865 1.00 0.00 O ATOM 308 CB VAL A 28 -1.779 13.824 4.640 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.576 13.464 5.498 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.472 15.068 5.176 1.00 0.00 C ATOM 0 H VAL A 28 -3.207 13.598 2.291 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.685 14.889 3.116 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.486 12.995 4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.895 13.321 6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.126 12.543 5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.157 14.269 5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.764 14.903 6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.790 15.916 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.359 15.277 4.578 1.00 0.00 H new ATOM 320 N SER A 29 0.533 12.989 2.069 1.00 0.00 N ATOM 321 CA SER A 29 1.328 11.881 1.551 1.00 0.00 C ATOM 322 C SER A 29 1.452 10.770 2.589 1.00 0.00 C ATOM 323 O SER A 29 2.212 10.884 3.550 1.00 0.00 O ATOM 324 CB SER A 29 2.719 12.371 1.144 1.00 0.00 C ATOM 325 OG SER A 29 3.374 13.007 2.227 1.00 0.00 O ATOM 0 H SER A 29 0.943 13.910 1.915 1.00 0.00 H new ATOM 0 HA SER A 29 0.820 11.480 0.674 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.317 11.528 0.797 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.633 13.066 0.309 1.00 0.00 H new ATOM 0 HG SER A 29 3.191 12.515 3.055 1.00 0.00 H new ATOM 331 N SER A 30 0.698 9.694 2.387 1.00 0.00 N ATOM 332 CA SER A 30 0.719 8.562 3.307 1.00 0.00 C ATOM 333 C SER A 30 1.476 7.384 2.701 1.00 0.00 C ATOM 334 O SER A 30 1.380 7.121 1.503 1.00 0.00 O ATOM 335 CB SER A 30 -0.708 8.138 3.660 1.00 0.00 C ATOM 336 OG SER A 30 -1.432 9.213 4.234 1.00 0.00 O ATOM 0 H SER A 30 0.065 9.582 1.595 1.00 0.00 H new ATOM 0 HA SER A 30 1.233 8.874 4.216 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.219 7.789 2.763 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.680 7.301 4.357 1.00 0.00 H new ATOM 0 HG SER A 30 -1.260 10.032 3.724 1.00 0.00 H new ATOM 342 N GLU A 31 2.229 6.678 3.539 1.00 0.00 N ATOM 343 CA GLU A 31 3.004 5.529 3.086 1.00 0.00 C ATOM 344 C GLU A 31 3.123 4.484 4.192 1.00 0.00 C ATOM 345 O GLU A 31 2.723 4.721 5.332 1.00 0.00 O ATOM 346 CB GLU A 31 4.397 5.971 2.635 1.00 0.00 C ATOM 347 CG GLU A 31 5.261 6.507 3.763 1.00 0.00 C ATOM 348 CD GLU A 31 6.626 6.965 3.287 1.00 0.00 C ATOM 349 OE1 GLU A 31 6.687 7.700 2.279 1.00 0.00 O ATOM 350 OE2 GLU A 31 7.633 6.587 3.921 1.00 0.00 O ATOM 0 H GLU A 31 2.319 6.882 4.534 1.00 0.00 H new ATOM 0 HA GLU A 31 2.482 5.081 2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.904 5.125 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.295 6.741 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.749 7.341 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.386 5.732 4.520 1.00 0.00 H new ATOM 357 N PHE A 32 3.675 3.325 3.846 1.00 0.00 N ATOM 358 CA PHE A 32 3.846 2.242 4.807 1.00 0.00 C ATOM 359 C PHE A 32 4.978 1.312 4.382 1.00 0.00 C ATOM 360 O PHE A 32 5.334 1.247 3.205 1.00 0.00 O ATOM 361 CB PHE A 32 2.545 1.449 4.950 1.00 0.00 C ATOM 362 CG PHE A 32 1.974 0.993 3.638 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.434 -0.165 3.032 1.00 0.00 C ATOM 364 CD2 PHE A 32 0.976 1.722 3.011 1.00 0.00 C ATOM 365 CE1 PHE A 32 1.910 -0.588 1.825 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.449 1.303 1.804 1.00 0.00 C ATOM 367 CZ PHE A 32 0.917 0.148 1.210 1.00 0.00 C ATOM 0 H PHE A 32 4.011 3.112 2.907 1.00 0.00 H new ATOM 0 HA PHE A 32 4.103 2.681 5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.727 0.578 5.580 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.807 2.066 5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.211 -0.744 3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.606 2.627 3.470 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.277 -1.493 1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.329 1.879 1.325 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.507 -0.179 0.266 1.00 0.00 H new ATOM 377 N ILE A 33 5.539 0.593 5.349 1.00 0.00 N ATOM 378 CA ILE A 33 6.630 -0.334 5.076 1.00 0.00 C ATOM 379 C ILE A 33 6.142 -1.778 5.096 1.00 0.00 C ATOM 380 O ILE A 33 5.303 -2.150 5.917 1.00 0.00 O ATOM 381 CB ILE A 33 7.773 -0.175 6.097 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.563 1.104 5.816 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.689 -1.389 6.059 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.688 1.348 6.798 1.00 0.00 C ATOM 0 H ILE A 33 5.256 0.635 6.328 1.00 0.00 H new ATOM 0 HA ILE A 33 7.007 -0.094 4.082 1.00 0.00 H new ATOM 0 HB ILE A 33 7.341 -0.101 7.095 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.976 1.052 4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.882 1.954 5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.492 -1.262 6.786 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.117 -2.284 6.303 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.116 -1.492 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.204 2.272 6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.280 1.432 7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.391 0.516 6.760 1.00 0.00 H new ATOM 396 N VAL A 34 6.675 -2.590 4.188 1.00 0.00 N ATOM 397 CA VAL A 34 6.296 -3.995 4.103 1.00 0.00 C ATOM 398 C VAL A 34 7.463 -4.902 4.478 1.00 0.00 C ATOM 399 O VAL A 34 8.371 -5.124 3.678 1.00 0.00 O ATOM 400 CB VAL A 34 5.809 -4.361 2.688 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.413 -5.828 2.622 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.649 -3.467 2.277 1.00 0.00 C ATOM 0 H VAL A 34 7.370 -2.299 3.501 1.00 0.00 H new ATOM 0 HA VAL A 34 5.480 -4.146 4.810 1.00 0.00 H new ATOM 0 HB VAL A 34 6.628 -4.200 1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.072 -6.068 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.274 -6.449 2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.609 -6.020 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.317 -3.739 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.825 -3.594 2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.972 -2.426 2.282 1.00 0.00 H new ATOM 412 N ASN A 35 7.430 -5.425 5.699 1.00 0.00 N ATOM 413 CA ASN A 35 8.486 -6.309 6.180 1.00 0.00 C ATOM 414 C ASN A 35 8.447 -7.650 5.453 1.00 0.00 C ATOM 415 O ASN A 35 7.658 -8.532 5.794 1.00 0.00 O ATOM 416 CB ASN A 35 8.346 -6.531 7.688 1.00 0.00 C ATOM 417 CG ASN A 35 8.965 -7.839 8.140 1.00 0.00 C ATOM 418 OD1 ASN A 35 8.278 -8.854 8.262 1.00 0.00 O ATOM 419 ND2 ASN A 35 10.269 -7.822 8.390 1.00 0.00 N ATOM 0 H ASN A 35 6.684 -5.252 6.373 1.00 0.00 H new ATOM 0 HA ASN A 35 9.445 -5.833 5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.819 -5.705 8.219 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.290 -6.520 7.958 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.741 -8.673 8.697 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.799 -6.958 8.275 1.00 0.00 H new ATOM 426 N THR A 36 9.304 -7.796 4.447 1.00 0.00 N ATOM 427 CA THR A 36 9.368 -9.028 3.670 1.00 0.00 C ATOM 428 C THR A 36 10.630 -9.818 3.995 1.00 0.00 C ATOM 429 O THR A 36 10.764 -10.981 3.610 1.00 0.00 O ATOM 430 CB THR A 36 9.331 -8.741 2.158 1.00 0.00 C ATOM 431 OG1 THR A 36 10.328 -7.770 1.819 1.00 0.00 O ATOM 432 CG2 THR A 36 7.960 -8.234 1.736 1.00 0.00 C ATOM 0 H THR A 36 9.963 -7.076 4.151 1.00 0.00 H new ATOM 0 HA THR A 36 8.493 -9.619 3.942 1.00 0.00 H new ATOM 0 HB THR A 36 9.535 -9.672 1.629 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.409 -7.711 0.844 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.959 -8.038 0.664 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.206 -8.986 1.968 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.731 -7.314 2.273 1.00 0.00 H new ATOM 440 N LEU A 37 11.554 -9.182 4.706 1.00 0.00 N ATOM 441 CA LEU A 37 12.807 -9.826 5.084 1.00 0.00 C ATOM 442 C LEU A 37 12.556 -11.231 5.622 1.00 0.00 C ATOM 443 O LEU A 37 13.022 -12.217 5.052 1.00 0.00 O ATOM 444 CB LEU A 37 13.538 -8.988 6.135 1.00 0.00 C ATOM 445 CG LEU A 37 13.839 -7.540 5.748 1.00 0.00 C ATOM 446 CD1 LEU A 37 14.220 -6.727 6.976 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.946 -7.485 4.706 1.00 0.00 C ATOM 0 H LEU A 37 11.459 -8.220 5.033 1.00 0.00 H new ATOM 0 HA LEU A 37 13.430 -9.904 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.940 -8.983 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.480 -9.482 6.374 1.00 0.00 H new ATOM 0 HG LEU A 37 12.938 -7.106 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.431 -5.699 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.396 -6.738 7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.107 -7.161 7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 37 15.147 -6.446 4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.851 -7.938 5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.635 -8.031 3.816 1.00 0.00 H new ATOM 459 N ASN A 38 11.815 -11.314 6.722 1.00 0.00 N ATOM 460 CA ASN A 38 11.501 -12.599 7.336 1.00 0.00 C ATOM 461 C ASN A 38 11.222 -13.657 6.273 1.00 0.00 C ATOM 462 O ASN A 38 11.666 -14.799 6.386 1.00 0.00 O ATOM 463 CB ASN A 38 10.292 -12.462 8.265 1.00 0.00 C ATOM 464 CG ASN A 38 10.684 -12.028 9.664 1.00 0.00 C ATOM 465 OD1 ASN A 38 11.702 -11.179 9.756 1.00 0.00 O flip ATOM 466 ND2 ASN A 38 10.079 -12.449 10.649 1.00 0.00 N flip ATOM 0 H ASN A 38 11.421 -10.507 7.206 1.00 0.00 H new ATOM 0 HA ASN A 38 12.366 -12.915 7.919 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.595 -11.737 7.845 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.767 -13.416 8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.303 -13.100 10.531 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.354 -12.147 11.584 1.00 0.00 H new ATOM 473 N ALA A 39 10.483 -13.268 5.239 1.00 0.00 N ATOM 474 CA ALA A 39 10.146 -14.181 4.153 1.00 0.00 C ATOM 475 C ALA A 39 11.404 -14.712 3.473 1.00 0.00 C ATOM 476 O ALA A 39 11.645 -15.918 3.448 1.00 0.00 O ATOM 477 CB ALA A 39 9.248 -13.487 3.140 1.00 0.00 C ATOM 0 H ALA A 39 10.106 -12.326 5.130 1.00 0.00 H new ATOM 0 HA ALA A 39 9.608 -15.029 4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.004 -14.180 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.330 -13.162 3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.766 -12.620 2.729 1.00 0.00 H new ATOM 483 N GLY A 40 12.202 -13.802 2.922 1.00 0.00 N ATOM 484 CA GLY A 40 13.425 -14.199 2.248 1.00 0.00 C ATOM 485 C GLY A 40 13.586 -13.529 0.898 1.00 0.00 C ATOM 486 O GLY A 40 14.573 -12.834 0.657 1.00 0.00 O ATOM 0 H GLY A 40 12.024 -12.798 2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.280 -13.952 2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.429 -15.281 2.116 1.00 0.00 H new ATOM 490 N SER A 41 12.616 -13.739 0.015 1.00 0.00 N ATOM 491 CA SER A 41 12.658 -13.154 -1.320 1.00 0.00 C ATOM 492 C SER A 41 11.348 -13.399 -2.062 1.00 0.00 C ATOM 493 O SER A 41 10.625 -14.351 -1.771 1.00 0.00 O ATOM 494 CB SER A 41 13.826 -13.737 -2.119 1.00 0.00 C ATOM 495 OG SER A 41 13.621 -15.112 -2.392 1.00 0.00 O ATOM 0 H SER A 41 11.791 -14.310 0.200 1.00 0.00 H new ATOM 0 HA SER A 41 12.800 -12.079 -1.214 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.939 -13.190 -3.055 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.753 -13.608 -1.560 1.00 0.00 H new ATOM 0 HG SER A 41 14.380 -15.460 -2.905 1.00 0.00 H new ATOM 501 N GLY A 42 11.048 -12.531 -3.024 1.00 0.00 N ATOM 502 CA GLY A 42 9.826 -12.670 -3.794 1.00 0.00 C ATOM 503 C GLY A 42 9.289 -11.336 -4.275 1.00 0.00 C ATOM 504 O GLY A 42 9.764 -10.281 -3.855 1.00 0.00 O ATOM 0 H GLY A 42 11.630 -11.734 -3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.013 -13.314 -4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.070 -13.164 -3.184 1.00 0.00 H new ATOM 508 N ALA A 43 8.298 -11.382 -5.159 1.00 0.00 N ATOM 509 CA ALA A 43 7.696 -10.169 -5.697 1.00 0.00 C ATOM 510 C ALA A 43 6.653 -9.602 -4.740 1.00 0.00 C ATOM 511 O ALA A 43 6.264 -10.256 -3.771 1.00 0.00 O ATOM 512 CB ALA A 43 7.073 -10.447 -7.056 1.00 0.00 C ATOM 0 H ALA A 43 7.895 -12.247 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 43 8.483 -9.425 -5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.627 -9.532 -7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.842 -10.798 -7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.302 -11.211 -6.954 1.00 0.00 H new ATOM 518 N LEU A 44 6.204 -8.383 -5.016 1.00 0.00 N ATOM 519 CA LEU A 44 5.205 -7.727 -4.179 1.00 0.00 C ATOM 520 C LEU A 44 4.185 -6.980 -5.032 1.00 0.00 C ATOM 521 O LEU A 44 4.542 -6.319 -6.007 1.00 0.00 O ATOM 522 CB LEU A 44 5.882 -6.759 -3.207 1.00 0.00 C ATOM 523 CG LEU A 44 4.961 -5.760 -2.505 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.313 -6.398 -1.286 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.734 -4.511 -2.109 1.00 0.00 C ATOM 0 H LEU A 44 6.516 -7.828 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 44 4.681 -8.496 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.400 -7.343 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.643 -6.200 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 44 4.173 -5.470 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.661 -5.673 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.726 -7.262 -1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.087 -6.717 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.063 -3.811 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.543 -4.783 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.150 -4.043 -3.001 1.00 0.00 H new ATOM 537 N SER A 45 2.915 -7.087 -4.657 1.00 0.00 N ATOM 538 CA SER A 45 1.843 -6.423 -5.388 1.00 0.00 C ATOM 539 C SER A 45 1.096 -5.444 -4.487 1.00 0.00 C ATOM 540 O SER A 45 0.714 -5.781 -3.367 1.00 0.00 O ATOM 541 CB SER A 45 0.868 -7.456 -5.956 1.00 0.00 C ATOM 542 OG SER A 45 0.032 -6.879 -6.945 1.00 0.00 O ATOM 0 H SER A 45 2.603 -7.628 -3.850 1.00 0.00 H new ATOM 0 HA SER A 45 2.290 -5.865 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.425 -8.288 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.256 -7.864 -5.151 1.00 0.00 H new ATOM 0 HG SER A 45 -0.581 -7.560 -7.293 1.00 0.00 H new ATOM 548 N VAL A 46 0.892 -4.228 -4.986 1.00 0.00 N ATOM 549 CA VAL A 46 0.190 -3.199 -4.228 1.00 0.00 C ATOM 550 C VAL A 46 -0.920 -2.566 -5.059 1.00 0.00 C ATOM 551 O VAL A 46 -0.706 -2.175 -6.207 1.00 0.00 O ATOM 552 CB VAL A 46 1.155 -2.096 -3.754 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.407 -1.040 -2.954 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.287 -2.695 -2.933 1.00 0.00 C ATOM 0 H VAL A 46 1.203 -3.932 -5.911 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.247 -3.688 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 46 1.588 -1.615 -4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.105 -0.269 -2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.365 -0.590 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.055 -1.504 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.959 -1.901 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.875 -3.203 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.839 -3.410 -3.542 1.00 0.00 H new ATOM 564 N THR A 47 -2.108 -2.466 -4.471 1.00 0.00 N ATOM 565 CA THR A 47 -3.253 -1.880 -5.157 1.00 0.00 C ATOM 566 C THR A 47 -4.152 -1.128 -4.182 1.00 0.00 C ATOM 567 O THR A 47 -4.238 -1.479 -3.005 1.00 0.00 O ATOM 568 CB THR A 47 -4.086 -2.956 -5.879 1.00 0.00 C ATOM 569 OG1 THR A 47 -4.375 -4.035 -4.984 1.00 0.00 O ATOM 570 CG2 THR A 47 -3.345 -3.486 -7.098 1.00 0.00 C ATOM 0 H THR A 47 -2.302 -2.783 -3.521 1.00 0.00 H new ATOM 0 HA THR A 47 -2.856 -1.182 -5.894 1.00 0.00 H new ATOM 0 HB THR A 47 -5.019 -2.500 -6.210 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.906 -4.714 -5.451 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.952 -4.245 -7.592 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.153 -2.667 -7.791 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.398 -3.926 -6.785 1.00 0.00 H new ATOM 578 N ILE A 48 -4.821 -0.093 -4.679 1.00 0.00 N ATOM 579 CA ILE A 48 -5.715 0.707 -3.851 1.00 0.00 C ATOM 580 C ILE A 48 -7.040 0.963 -4.561 1.00 0.00 C ATOM 581 O ILE A 48 -7.069 1.255 -5.757 1.00 0.00 O ATOM 582 CB ILE A 48 -5.077 2.058 -3.476 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.757 1.835 -2.735 1.00 0.00 C ATOM 584 CG2 ILE A 48 -6.036 2.879 -2.628 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.841 3.039 -2.757 1.00 0.00 C ATOM 0 H ILE A 48 -4.761 0.211 -5.651 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.898 0.136 -2.941 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.868 2.612 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.971 1.570 -1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.239 0.986 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.571 3.831 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.952 3.063 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.273 2.333 -1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.925 2.809 -2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.597 3.292 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.341 3.885 -2.285 1.00 0.00 H new ATOM 597 N ASP A 49 -8.134 0.853 -3.817 1.00 0.00 N ATOM 598 CA ASP A 49 -9.464 1.076 -4.374 1.00 0.00 C ATOM 599 C ASP A 49 -10.285 1.991 -3.471 1.00 0.00 C ATOM 600 O ASP A 49 -10.648 1.618 -2.356 1.00 0.00 O ATOM 601 CB ASP A 49 -10.189 -0.257 -4.566 1.00 0.00 C ATOM 602 CG ASP A 49 -11.183 -0.216 -5.709 1.00 0.00 C ATOM 603 OD1 ASP A 49 -10.796 0.211 -6.818 1.00 0.00 O ATOM 604 OD2 ASP A 49 -12.348 -0.611 -5.497 1.00 0.00 O ATOM 0 H ASP A 49 -8.127 0.611 -2.826 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.349 1.561 -5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.456 -1.042 -4.754 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.709 -0.520 -3.645 1.00 0.00 H new ATOM 609 N GLY A 50 -10.574 3.193 -3.961 1.00 0.00 N ATOM 610 CA GLY A 50 -11.350 4.143 -3.185 1.00 0.00 C ATOM 611 C GLY A 50 -12.327 4.927 -4.038 1.00 0.00 C ATOM 612 O GLY A 50 -12.658 4.538 -5.158 1.00 0.00 O ATOM 0 H GLY A 50 -10.285 3.526 -4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.897 3.611 -2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.674 4.835 -2.683 1.00 0.00 H new ATOM 616 N PRO A 51 -12.807 6.061 -3.505 1.00 0.00 N ATOM 617 CA PRO A 51 -13.760 6.925 -4.207 1.00 0.00 C ATOM 618 C PRO A 51 -13.128 7.637 -5.398 1.00 0.00 C ATOM 619 O PRO A 51 -13.828 8.181 -6.252 1.00 0.00 O ATOM 620 CB PRO A 51 -14.176 7.937 -3.138 1.00 0.00 C ATOM 621 CG PRO A 51 -13.031 7.975 -2.186 1.00 0.00 C ATOM 622 CD PRO A 51 -12.455 6.586 -2.175 1.00 0.00 C ATOM 0 HA PRO A 51 -14.593 6.359 -4.624 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.362 8.919 -3.573 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.095 7.631 -2.639 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.285 8.704 -2.502 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.362 8.268 -1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.376 6.599 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.883 5.979 -1.377 1.00 0.00 H new ATOM 630 N SER A 52 -11.799 7.631 -5.449 1.00 0.00 N ATOM 631 CA SER A 52 -11.073 8.280 -6.533 1.00 0.00 C ATOM 632 C SER A 52 -9.661 7.715 -6.656 1.00 0.00 C ATOM 633 O SER A 52 -9.026 7.375 -5.657 1.00 0.00 O ATOM 634 CB SER A 52 -11.011 9.791 -6.302 1.00 0.00 C ATOM 635 OG SER A 52 -12.264 10.398 -6.563 1.00 0.00 O ATOM 0 H SER A 52 -11.204 7.184 -4.752 1.00 0.00 H new ATOM 0 HA SER A 52 -11.607 8.084 -7.463 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.713 9.993 -5.273 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.249 10.230 -6.947 1.00 0.00 H new ATOM 0 HG SER A 52 -12.954 9.706 -6.637 1.00 0.00 H new ATOM 641 N LYS A 53 -9.175 7.616 -7.889 1.00 0.00 N ATOM 642 CA LYS A 53 -7.838 7.094 -8.145 1.00 0.00 C ATOM 643 C LYS A 53 -6.802 7.800 -7.275 1.00 0.00 C ATOM 644 O LYS A 53 -6.971 8.964 -6.912 1.00 0.00 O ATOM 645 CB LYS A 53 -7.477 7.261 -9.623 1.00 0.00 C ATOM 646 CG LYS A 53 -7.869 6.071 -10.482 1.00 0.00 C ATOM 647 CD LYS A 53 -9.310 6.174 -10.953 1.00 0.00 C ATOM 648 CE LYS A 53 -9.414 6.925 -12.271 1.00 0.00 C ATOM 649 NZ LYS A 53 -9.325 8.399 -12.078 1.00 0.00 N ATOM 0 H LYS A 53 -9.688 7.891 -8.727 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.835 6.033 -7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.967 8.155 -10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.403 7.423 -9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.206 6.010 -11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.736 5.151 -9.913 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.728 5.174 -11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.906 6.683 -10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.618 6.598 -12.939 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.359 6.679 -12.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.788 8.882 -12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.799 8.662 -11.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.326 8.684 -12.034 1.00 0.00 H new ATOM 663 N VAL A 54 -5.728 7.088 -6.946 1.00 0.00 N ATOM 664 CA VAL A 54 -4.664 7.647 -6.122 1.00 0.00 C ATOM 665 C VAL A 54 -3.310 7.522 -6.813 1.00 0.00 C ATOM 666 O VAL A 54 -3.110 6.645 -7.652 1.00 0.00 O ATOM 667 CB VAL A 54 -4.593 6.952 -4.749 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.878 7.182 -3.968 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.320 5.466 -4.919 1.00 0.00 C ATOM 0 H VAL A 54 -5.573 6.123 -7.238 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.898 8.701 -5.976 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.770 7.386 -4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.810 6.684 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.025 8.251 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.721 6.776 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.273 4.990 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.121 5.014 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.370 5.327 -5.436 1.00 0.00 H new ATOM 679 N GLN A 55 -2.385 8.406 -6.453 1.00 0.00 N ATOM 680 CA GLN A 55 -1.050 8.394 -7.040 1.00 0.00 C ATOM 681 C GLN A 55 -0.048 7.734 -6.098 1.00 0.00 C ATOM 682 O GLN A 55 0.575 8.401 -5.271 1.00 0.00 O ATOM 683 CB GLN A 55 -0.600 9.820 -7.364 1.00 0.00 C ATOM 684 CG GLN A 55 0.558 9.883 -8.348 1.00 0.00 C ATOM 685 CD GLN A 55 1.316 11.194 -8.272 1.00 0.00 C ATOM 686 OE1 GLN A 55 1.636 11.678 -7.186 1.00 0.00 O ATOM 687 NE2 GLN A 55 1.609 11.776 -9.430 1.00 0.00 N ATOM 0 H GLN A 55 -2.535 9.138 -5.759 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.091 7.815 -7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.444 10.375 -7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.308 10.319 -6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.244 9.059 -8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.178 9.745 -9.360 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.324 11.339 -10.307 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.119 12.659 -9.442 1.00 0.00 H new ATOM 696 N LEU A 56 0.102 6.421 -6.229 1.00 0.00 N ATOM 697 CA LEU A 56 1.029 5.669 -5.390 1.00 0.00 C ATOM 698 C LEU A 56 2.395 5.550 -6.058 1.00 0.00 C ATOM 699 O LEU A 56 2.503 5.583 -7.284 1.00 0.00 O ATOM 700 CB LEU A 56 0.468 4.276 -5.098 1.00 0.00 C ATOM 701 CG LEU A 56 0.290 3.357 -6.307 1.00 0.00 C ATOM 702 CD1 LEU A 56 1.589 2.633 -6.624 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.832 2.360 -6.058 1.00 0.00 C ATOM 0 H LEU A 56 -0.406 5.855 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 56 1.151 6.209 -4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.129 3.782 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.499 4.391 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 56 0.021 3.969 -7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.442 1.984 -7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.367 3.363 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.890 2.033 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.945 1.714 -6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.592 1.753 -5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.764 2.897 -5.882 1.00 0.00 H new ATOM 715 N ASP A 57 3.436 5.411 -5.244 1.00 0.00 N ATOM 716 CA ASP A 57 4.795 5.283 -5.756 1.00 0.00 C ATOM 717 C ASP A 57 5.558 4.194 -5.008 1.00 0.00 C ATOM 718 O ASP A 57 5.761 4.284 -3.797 1.00 0.00 O ATOM 719 CB ASP A 57 5.535 6.616 -5.634 1.00 0.00 C ATOM 720 CG ASP A 57 6.587 6.795 -6.712 1.00 0.00 C ATOM 721 OD1 ASP A 57 7.325 5.825 -6.987 1.00 0.00 O ATOM 722 OD2 ASP A 57 6.671 7.903 -7.280 1.00 0.00 O ATOM 0 H ASP A 57 3.364 5.384 -4.227 1.00 0.00 H new ATOM 0 HA ASP A 57 4.736 5.003 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.817 7.434 -5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.009 6.677 -4.654 1.00 0.00 H new ATOM 727 N CYS A 58 5.976 3.165 -5.738 1.00 0.00 N ATOM 728 CA CYS A 58 6.714 2.057 -5.143 1.00 0.00 C ATOM 729 C CYS A 58 8.209 2.360 -5.100 1.00 0.00 C ATOM 730 O CYS A 58 8.809 2.717 -6.114 1.00 0.00 O ATOM 731 CB CYS A 58 6.465 0.770 -5.931 1.00 0.00 C ATOM 732 SG CYS A 58 6.986 0.851 -7.661 1.00 0.00 S ATOM 0 H CYS A 58 5.816 3.075 -6.741 1.00 0.00 H new ATOM 0 HA CYS A 58 6.359 1.923 -4.121 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.991 -0.050 -5.442 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.402 0.534 -5.894 1.00 0.00 H new ATOM 0 HG CYS A 58 7.971 1.692 -7.779 1.00 0.00 H new ATOM 738 N ARG A 59 8.802 2.217 -3.920 1.00 0.00 N ATOM 739 CA ARG A 59 10.226 2.478 -3.744 1.00 0.00 C ATOM 740 C ARG A 59 10.890 1.357 -2.951 1.00 0.00 C ATOM 741 O ARG A 59 10.218 0.584 -2.269 1.00 0.00 O ATOM 742 CB ARG A 59 10.436 3.815 -3.031 1.00 0.00 C ATOM 743 CG ARG A 59 11.697 3.862 -2.184 1.00 0.00 C ATOM 744 CD ARG A 59 11.904 5.237 -1.568 1.00 0.00 C ATOM 745 NE ARG A 59 12.902 5.215 -0.502 1.00 0.00 N ATOM 746 CZ ARG A 59 14.212 5.218 -0.722 1.00 0.00 C ATOM 747 NH1 ARG A 59 14.680 5.242 -1.962 1.00 0.00 N ATOM 748 NH2 ARG A 59 15.058 5.197 0.301 1.00 0.00 N ATOM 0 H ARG A 59 8.319 1.922 -3.071 1.00 0.00 H new ATOM 0 HA ARG A 59 10.687 2.524 -4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.478 4.611 -3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.574 4.018 -2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.634 3.114 -1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.559 3.604 -2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.216 5.938 -2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.957 5.602 -1.170 1.00 0.00 H new ATOM 0 HE ARG A 59 12.575 5.196 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.034 5.258 -2.751 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.687 5.244 -2.127 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.702 5.179 1.257 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.064 5.199 0.131 1.00 0.00 H new ATOM 762 N GLU A 60 12.214 1.275 -3.047 1.00 0.00 N ATOM 763 CA GLU A 60 12.968 0.247 -2.339 1.00 0.00 C ATOM 764 C GLU A 60 13.385 0.734 -0.955 1.00 0.00 C ATOM 765 O GLU A 60 13.859 1.860 -0.798 1.00 0.00 O ATOM 766 CB GLU A 60 14.206 -0.154 -3.145 1.00 0.00 C ATOM 767 CG GLU A 60 15.250 0.945 -3.243 1.00 0.00 C ATOM 768 CD GLU A 60 16.301 0.658 -4.298 1.00 0.00 C ATOM 769 OE1 GLU A 60 16.010 0.860 -5.496 1.00 0.00 O ATOM 770 OE2 GLU A 60 17.415 0.231 -3.926 1.00 0.00 O ATOM 0 H GLU A 60 12.785 1.907 -3.607 1.00 0.00 H new ATOM 0 HA GLU A 60 12.323 -0.623 -2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.658 -1.034 -2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.897 -0.441 -4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.757 1.890 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.736 1.067 -2.275 1.00 0.00 H new ATOM 777 N CYS A 61 13.205 -0.121 0.046 1.00 0.00 N ATOM 778 CA CYS A 61 13.561 0.222 1.418 1.00 0.00 C ATOM 779 C CYS A 61 14.418 -0.872 2.047 1.00 0.00 C ATOM 780 O CYS A 61 14.330 -2.046 1.688 1.00 0.00 O ATOM 781 CB CYS A 61 12.300 0.443 2.254 1.00 0.00 C ATOM 782 SG CYS A 61 11.180 -0.976 2.289 1.00 0.00 S ATOM 0 H CYS A 61 12.815 -1.057 -0.067 1.00 0.00 H new ATOM 0 HA CYS A 61 14.140 1.145 1.397 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.592 0.687 3.275 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.763 1.306 1.861 1.00 0.00 H new ATOM 0 HG CYS A 61 10.144 -0.693 3.022 1.00 0.00 H new ATOM 788 N PRO A 62 15.268 -0.479 3.008 1.00 0.00 N ATOM 789 CA PRO A 62 16.158 -1.411 3.706 1.00 0.00 C ATOM 790 C PRO A 62 15.398 -2.357 4.629 1.00 0.00 C ATOM 791 O PRO A 62 15.996 -3.197 5.301 1.00 0.00 O ATOM 792 CB PRO A 62 17.070 -0.489 4.519 1.00 0.00 C ATOM 793 CG PRO A 62 16.271 0.753 4.720 1.00 0.00 C ATOM 794 CD PRO A 62 15.425 0.905 3.486 1.00 0.00 C ATOM 0 HA PRO A 62 16.693 -2.060 3.013 1.00 0.00 H new ATOM 0 HB2 PRO A 62 17.343 -0.942 5.472 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.998 -0.281 3.987 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.650 0.677 5.612 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.921 1.617 4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.462 1.364 3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.911 1.535 2.741 1.00 0.00 H new ATOM 802 N GLU A 63 14.076 -2.216 4.656 1.00 0.00 N ATOM 803 CA GLU A 63 13.235 -3.059 5.498 1.00 0.00 C ATOM 804 C GLU A 63 12.345 -3.961 4.648 1.00 0.00 C ATOM 805 O GLU A 63 11.627 -4.813 5.170 1.00 0.00 O ATOM 806 CB GLU A 63 12.372 -2.196 6.421 1.00 0.00 C ATOM 807 CG GLU A 63 13.165 -1.483 7.504 1.00 0.00 C ATOM 808 CD GLU A 63 13.418 -2.359 8.715 1.00 0.00 C ATOM 809 OE1 GLU A 63 12.436 -2.869 9.293 1.00 0.00 O ATOM 810 OE2 GLU A 63 14.598 -2.534 9.085 1.00 0.00 O ATOM 0 H GLU A 63 13.565 -1.526 4.105 1.00 0.00 H new ATOM 0 HA GLU A 63 13.887 -3.688 6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.843 -1.455 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.616 -2.825 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.119 -1.154 7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.626 -0.588 7.814 1.00 0.00 H new ATOM 817 N GLY A 64 12.397 -3.765 3.333 1.00 0.00 N ATOM 818 CA GLY A 64 11.591 -4.567 2.432 1.00 0.00 C ATOM 819 C GLY A 64 11.063 -3.766 1.258 1.00 0.00 C ATOM 820 O GLY A 64 11.779 -3.532 0.284 1.00 0.00 O ATOM 0 H GLY A 64 12.983 -3.066 2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.187 -5.400 2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.753 -4.995 2.982 1.00 0.00 H new ATOM 824 N HIS A 65 9.805 -3.345 1.350 1.00 0.00 N ATOM 825 CA HIS A 65 9.181 -2.565 0.286 1.00 0.00 C ATOM 826 C HIS A 65 8.349 -1.425 0.865 1.00 0.00 C ATOM 827 O HIS A 65 7.620 -1.608 1.841 1.00 0.00 O ATOM 828 CB HIS A 65 8.301 -3.464 -0.584 1.00 0.00 C ATOM 829 CG HIS A 65 9.076 -4.452 -1.399 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.249 -4.334 -2.762 1.00 0.00 N ATOM 831 CD2 HIS A 65 9.729 -5.582 -1.036 1.00 0.00 C ATOM 832 CE1 HIS A 65 9.972 -5.348 -3.202 1.00 0.00 C ATOM 833 NE2 HIS A 65 10.276 -6.119 -2.175 1.00 0.00 N ATOM 0 H HIS A 65 9.199 -3.530 2.149 1.00 0.00 H new ATOM 0 HA HIS A 65 9.972 -2.137 -0.330 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.601 -4.002 0.055 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.707 -2.840 -1.252 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.805 -5.985 -0.037 1.00 0.00 H new ATOM 0 HE1 HIS A 65 10.265 -5.517 -4.228 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.828 -6.975 -2.220 1.00 0.00 H new ATOM 842 N VAL A 66 8.462 -0.248 0.258 1.00 0.00 N ATOM 843 CA VAL A 66 7.720 0.922 0.712 1.00 0.00 C ATOM 844 C VAL A 66 6.907 1.533 -0.424 1.00 0.00 C ATOM 845 O VAL A 66 7.325 1.512 -1.581 1.00 0.00 O ATOM 846 CB VAL A 66 8.662 1.994 1.290 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.461 2.658 0.178 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.873 3.027 2.080 1.00 0.00 C ATOM 0 H VAL A 66 9.061 -0.079 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 66 7.043 0.583 1.496 1.00 0.00 H new ATOM 0 HB VAL A 66 9.363 1.509 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.121 3.413 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.056 1.907 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.778 3.131 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.555 3.777 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.148 3.510 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.350 2.536 2.901 1.00 0.00 H new ATOM 858 N VAL A 67 5.743 2.077 -0.085 1.00 0.00 N ATOM 859 CA VAL A 67 4.871 2.696 -1.076 1.00 0.00 C ATOM 860 C VAL A 67 4.253 3.982 -0.537 1.00 0.00 C ATOM 861 O VAL A 67 3.696 4.004 0.561 1.00 0.00 O ATOM 862 CB VAL A 67 3.745 1.739 -1.508 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.818 2.420 -2.504 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.327 0.463 -2.096 1.00 0.00 C ATOM 0 H VAL A 67 5.382 2.102 0.869 1.00 0.00 H new ATOM 0 HA VAL A 67 5.491 2.930 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 67 3.161 1.473 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.028 1.728 -2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.374 3.303 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.386 2.718 -3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.517 -0.202 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.936 0.708 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.946 -0.033 -1.348 1.00 0.00 H new ATOM 874 N THR A 68 4.354 5.053 -1.318 1.00 0.00 N ATOM 875 CA THR A 68 3.805 6.343 -0.920 1.00 0.00 C ATOM 876 C THR A 68 2.678 6.773 -1.852 1.00 0.00 C ATOM 877 O THR A 68 2.821 6.731 -3.075 1.00 0.00 O ATOM 878 CB THR A 68 4.891 7.436 -0.908 1.00 0.00 C ATOM 879 OG1 THR A 68 6.062 6.955 -0.239 1.00 0.00 O ATOM 880 CG2 THR A 68 4.386 8.693 -0.217 1.00 0.00 C ATOM 0 H THR A 68 4.811 5.052 -2.230 1.00 0.00 H new ATOM 0 HA THR A 68 3.411 6.221 0.089 1.00 0.00 H new ATOM 0 HB THR A 68 5.138 7.683 -1.940 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.186 7.448 0.599 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.170 9.450 -0.221 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.512 9.073 -0.746 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.114 8.458 0.812 1.00 0.00 H new ATOM 888 N TYR A 69 1.559 7.186 -1.269 1.00 0.00 N ATOM 889 CA TYR A 69 0.406 7.621 -2.048 1.00 0.00 C ATOM 890 C TYR A 69 -0.195 8.897 -1.465 1.00 0.00 C ATOM 891 O TYR A 69 0.121 9.290 -0.342 1.00 0.00 O ATOM 892 CB TYR A 69 -0.653 6.519 -2.092 1.00 0.00 C ATOM 893 CG TYR A 69 -1.443 6.387 -0.809 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.588 7.145 -0.595 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.044 5.506 0.188 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.312 7.028 0.576 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.763 5.382 1.361 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.896 6.146 1.550 1.00 0.00 C ATOM 899 OH TYR A 69 -3.615 6.026 2.718 1.00 0.00 O ATOM 0 H TYR A 69 1.425 7.229 -0.259 1.00 0.00 H new ATOM 0 HA TYR A 69 0.744 7.830 -3.063 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.341 6.720 -2.913 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.167 5.568 -2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.917 7.837 -1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.157 4.908 0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.199 7.625 0.727 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.440 4.691 2.126 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.341 5.211 3.188 1.00 0.00 H new ATOM 909 N THR A 70 -1.064 9.540 -2.238 1.00 0.00 N ATOM 910 CA THR A 70 -1.710 10.771 -1.801 1.00 0.00 C ATOM 911 C THR A 70 -3.220 10.701 -2.000 1.00 0.00 C ATOM 912 O THR A 70 -3.716 10.536 -3.115 1.00 0.00 O ATOM 913 CB THR A 70 -1.160 11.994 -2.559 1.00 0.00 C ATOM 914 OG1 THR A 70 0.264 12.053 -2.426 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.777 13.281 -2.031 1.00 0.00 C ATOM 0 H THR A 70 -1.337 9.229 -3.170 1.00 0.00 H new ATOM 0 HA THR A 70 -1.491 10.882 -0.739 1.00 0.00 H new ATOM 0 HB THR A 70 -1.422 11.889 -3.612 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.606 12.832 -2.912 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.373 14.131 -2.582 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.859 13.246 -2.160 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.542 13.390 -0.972 1.00 0.00 H new ATOM 923 N PRO A 71 -3.970 10.830 -0.896 1.00 0.00 N ATOM 924 CA PRO A 71 -5.435 10.785 -0.925 1.00 0.00 C ATOM 925 C PRO A 71 -6.040 12.013 -1.597 1.00 0.00 C ATOM 926 O PRO A 71 -5.758 13.146 -1.209 1.00 0.00 O ATOM 927 CB PRO A 71 -5.818 10.744 0.557 1.00 0.00 C ATOM 928 CG PRO A 71 -4.672 11.383 1.262 1.00 0.00 C ATOM 929 CD PRO A 71 -3.446 11.029 0.465 1.00 0.00 C ATOM 0 HA PRO A 71 -5.805 9.936 -1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.747 11.284 0.741 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.972 9.720 0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.802 12.464 1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.591 11.018 2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.702 11.825 0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.965 10.128 0.846 1.00 0.00 H new ATOM 937 N MET A 72 -6.872 11.780 -2.606 1.00 0.00 N ATOM 938 CA MET A 72 -7.517 12.868 -3.331 1.00 0.00 C ATOM 939 C MET A 72 -8.885 13.183 -2.734 1.00 0.00 C ATOM 940 O MET A 72 -9.415 14.279 -2.917 1.00 0.00 O ATOM 941 CB MET A 72 -7.664 12.508 -4.811 1.00 0.00 C ATOM 942 CG MET A 72 -8.960 11.782 -5.134 1.00 0.00 C ATOM 943 SD MET A 72 -10.292 12.908 -5.591 1.00 0.00 S ATOM 944 CE MET A 72 -10.193 12.840 -7.379 1.00 0.00 C ATOM 0 H MET A 72 -7.115 10.848 -2.940 1.00 0.00 H new ATOM 0 HA MET A 72 -6.888 13.754 -3.241 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.610 13.420 -5.405 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.823 11.883 -5.110 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.786 11.081 -5.951 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.267 11.194 -4.269 1.00 0.00 H new ATOM 0 HE1 MET A 72 -10.205 13.852 -7.783 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.269 12.343 -7.674 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.045 12.283 -7.770 1.00 0.00 H new ATOM 954 N ALA A 73 -9.452 12.215 -2.022 1.00 0.00 N ATOM 955 CA ALA A 73 -10.757 12.390 -1.397 1.00 0.00 C ATOM 956 C ALA A 73 -10.926 11.454 -0.205 1.00 0.00 C ATOM 957 O ALA A 73 -10.405 10.338 -0.183 1.00 0.00 O ATOM 958 CB ALA A 73 -11.865 12.157 -2.414 1.00 0.00 C ATOM 0 H ALA A 73 -9.028 11.301 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.822 13.415 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.834 12.291 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.764 12.870 -3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.792 11.143 -2.806 1.00 0.00 H new ATOM 964 N PRO A 74 -11.669 11.916 0.811 1.00 0.00 N ATOM 965 CA PRO A 74 -11.923 11.135 2.025 1.00 0.00 C ATOM 966 C PRO A 74 -12.839 9.943 1.767 1.00 0.00 C ATOM 967 O PRO A 74 -13.935 10.096 1.228 1.00 0.00 O ATOM 968 CB PRO A 74 -12.603 12.140 2.958 1.00 0.00 C ATOM 969 CG PRO A 74 -13.228 13.139 2.047 1.00 0.00 C ATOM 970 CD PRO A 74 -12.320 13.236 0.852 1.00 0.00 C ATOM 0 HA PRO A 74 -11.007 10.706 2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.350 11.655 3.586 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -11.882 12.610 3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.229 12.825 1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.329 14.106 2.539 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.879 13.437 -0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.592 14.040 0.964 1.00 0.00 H new ATOM 978 N GLY A 75 -12.384 8.757 2.157 1.00 0.00 N ATOM 979 CA GLY A 75 -13.176 7.557 1.960 1.00 0.00 C ATOM 980 C GLY A 75 -12.493 6.316 2.500 1.00 0.00 C ATOM 981 O GLY A 75 -11.698 6.395 3.436 1.00 0.00 O ATOM 0 H GLY A 75 -11.481 8.605 2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.142 7.679 2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.373 7.426 0.896 1.00 0.00 H new ATOM 985 N ASN A 76 -12.805 5.166 1.911 1.00 0.00 N ATOM 986 CA ASN A 76 -12.217 3.903 2.341 1.00 0.00 C ATOM 987 C ASN A 76 -11.426 3.257 1.207 1.00 0.00 C ATOM 988 O ASN A 76 -11.999 2.639 0.310 1.00 0.00 O ATOM 989 CB ASN A 76 -13.310 2.947 2.824 1.00 0.00 C ATOM 990 CG ASN A 76 -14.469 3.675 3.477 1.00 0.00 C ATOM 991 OD1 ASN A 76 -14.271 4.548 4.322 1.00 0.00 O ATOM 992 ND2 ASN A 76 -15.687 3.319 3.086 1.00 0.00 N ATOM 0 H ASN A 76 -13.462 5.083 1.135 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.534 4.110 3.165 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.680 2.366 1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.882 2.240 3.535 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -16.506 3.775 3.489 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.804 2.590 2.382 1.00 0.00 H new ATOM 999 N TYR A 77 -10.107 3.405 1.256 1.00 0.00 N ATOM 1000 CA TYR A 77 -9.236 2.839 0.233 1.00 0.00 C ATOM 1001 C TYR A 77 -8.802 1.425 0.609 1.00 0.00 C ATOM 1002 O TYR A 77 -8.107 1.221 1.605 1.00 0.00 O ATOM 1003 CB TYR A 77 -8.006 3.725 0.032 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.325 5.073 -0.575 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.355 5.248 -1.953 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.596 6.173 0.231 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -8.644 6.478 -2.511 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.888 7.406 -0.319 1.00 0.00 C ATOM 1009 CZ TYR A 77 -8.910 7.554 -1.690 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.201 8.780 -2.242 1.00 0.00 O ATOM 0 H TYR A 77 -9.617 3.912 1.993 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.797 2.792 -0.700 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.516 3.876 0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.295 3.205 -0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.149 4.408 -2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.578 6.062 1.305 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.662 6.597 -3.584 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.098 8.250 0.321 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.623 9.351 -1.567 1.00 0.00 H new ATOM 1020 N LEU A 78 -9.216 0.453 -0.196 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.870 -0.943 0.050 1.00 0.00 C ATOM 1022 C LEU A 78 -7.461 -1.251 -0.447 1.00 0.00 C ATOM 1023 O LEU A 78 -7.218 -1.316 -1.652 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.878 -1.867 -0.636 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.873 -3.325 -0.175 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.450 -3.854 -0.091 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.575 -3.463 1.168 1.00 0.00 C ATOM 0 H LEU A 78 -9.791 0.605 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.902 -1.115 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.877 -1.461 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.689 -1.845 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.417 -3.919 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.467 -4.893 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.980 -3.792 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.881 -3.256 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.562 -4.507 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.060 -2.855 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.607 -3.125 1.075 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.538 -1.440 0.490 1.00 0.00 N ATOM 1040 CA ILE A 79 -5.154 -1.744 0.147 1.00 0.00 C ATOM 1041 C ILE A 79 -4.911 -3.250 0.125 1.00 0.00 C ATOM 1042 O ILE A 79 -4.841 -3.893 1.171 1.00 0.00 O ATOM 1043 CB ILE A 79 -4.172 -1.092 1.137 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -4.301 0.432 1.088 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.745 -1.518 0.827 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.532 1.139 2.182 1.00 0.00 C ATOM 0 H ILE A 79 -6.723 -1.388 1.492 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.979 -1.335 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.419 -1.427 2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.949 0.787 0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.354 0.702 1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.063 -1.048 1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.663 -2.602 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.485 -1.209 -0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.669 2.216 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.900 0.812 3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.472 0.899 2.095 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.782 -3.805 -1.076 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.542 -5.234 -1.235 1.00 0.00 C ATOM 1060 C ALA A 80 -3.067 -5.518 -1.498 1.00 0.00 C ATOM 1061 O ALA A 80 -2.549 -5.211 -2.572 1.00 0.00 O ATOM 1062 CB ALA A 80 -5.398 -5.790 -2.363 1.00 0.00 C ATOM 0 H ALA A 80 -4.840 -3.287 -1.953 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.819 -5.729 -0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.209 -6.858 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.451 -5.629 -2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.148 -5.281 -3.294 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.397 -6.104 -0.511 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.982 -6.429 -0.638 1.00 0.00 C ATOM 1070 C ILE A 81 -0.776 -7.930 -0.808 1.00 0.00 C ATOM 1071 O ILE A 81 -1.438 -8.737 -0.156 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.182 -5.948 0.588 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.273 -4.426 0.718 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.269 -6.390 0.480 1.00 0.00 C ATOM 1075 CD1 ILE A 81 0.046 -3.918 2.107 1.00 0.00 C ATOM 0 H ILE A 81 -2.811 -6.363 0.384 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.618 -5.912 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.612 -6.397 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.413 -3.967 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.278 -4.106 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.821 -6.043 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.315 -7.478 0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.712 -5.967 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.038 -2.831 2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.655 -4.348 2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.062 -4.208 2.376 1.00 0.00 H new ATOM 1087 N LYS A 82 0.149 -8.298 -1.688 1.00 0.00 N ATOM 1088 CA LYS A 82 0.446 -9.703 -1.944 1.00 0.00 C ATOM 1089 C LYS A 82 1.952 -9.935 -2.019 1.00 0.00 C ATOM 1090 O LYS A 82 2.730 -8.989 -2.146 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.216 -10.157 -3.246 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.731 -10.046 -3.228 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.370 -10.971 -4.251 1.00 0.00 C ATOM 1094 CE LYS A 82 -3.873 -10.753 -4.336 1.00 0.00 C ATOM 1095 NZ LYS A 82 -4.452 -11.361 -5.566 1.00 0.00 N ATOM 0 H LYS A 82 0.706 -7.643 -2.236 1.00 0.00 H new ATOM 0 HA LYS A 82 0.046 -10.290 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.174 -9.559 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.062 -11.192 -3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.103 -10.290 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.024 -9.016 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.920 -10.800 -5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.166 -12.008 -3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.353 -11.184 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.086 -9.684 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.438 -11.050 -5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.900 -11.061 -6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.423 -12.398 -5.488 1.00 0.00 H new ATOM 1109 N TYR A 83 2.356 -11.198 -1.942 1.00 0.00 N ATOM 1110 CA TYR A 83 3.769 -11.554 -2.001 1.00 0.00 C ATOM 1111 C TYR A 83 3.945 -13.036 -2.316 1.00 0.00 C ATOM 1112 O TYR A 83 3.249 -13.887 -1.764 1.00 0.00 O ATOM 1113 CB TYR A 83 4.457 -11.217 -0.677 1.00 0.00 C ATOM 1114 CG TYR A 83 5.965 -11.170 -0.773 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.618 -10.018 -1.192 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.737 -12.278 -0.444 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.996 -9.971 -1.282 1.00 0.00 C ATOM 1118 CE2 TYR A 83 8.115 -12.239 -0.529 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.740 -11.084 -0.949 1.00 0.00 C ATOM 1120 OH TYR A 83 10.112 -11.040 -1.036 1.00 0.00 O ATOM 0 H TYR A 83 1.725 -11.993 -1.839 1.00 0.00 H new ATOM 0 HA TYR A 83 4.230 -10.974 -2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.094 -10.252 -0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.172 -11.958 0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.039 -9.144 -1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.251 -13.185 -0.116 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.488 -9.068 -1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.700 -13.109 -0.268 1.00 0.00 H new ATOM 0 HH TYR A 83 10.373 -10.507 -1.816 1.00 0.00 H new ATOM 1130 N GLY A 84 4.882 -13.337 -3.210 1.00 0.00 N ATOM 1131 CA GLY A 84 5.135 -14.717 -3.584 1.00 0.00 C ATOM 1132 C GLY A 84 3.870 -15.552 -3.607 1.00 0.00 C ATOM 1133 O GLY A 84 3.768 -16.557 -2.906 1.00 0.00 O ATOM 0 H GLY A 84 5.470 -12.650 -3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.602 -14.744 -4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.844 -15.156 -2.882 1.00 0.00 H new ATOM 1137 N GLY A 85 2.901 -15.133 -4.415 1.00 0.00 N ATOM 1138 CA GLY A 85 1.648 -15.860 -4.510 1.00 0.00 C ATOM 1139 C GLY A 85 0.476 -14.955 -4.836 1.00 0.00 C ATOM 1140 O GLY A 85 0.429 -13.794 -4.429 1.00 0.00 O ATOM 0 H GLY A 85 2.961 -14.303 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.735 -16.628 -5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.456 -16.372 -3.567 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.498 -15.490 -5.588 1.00 0.00 N ATOM 1145 CA PRO A 86 -1.693 -14.739 -5.986 1.00 0.00 C ATOM 1146 C PRO A 86 -2.621 -14.461 -4.808 1.00 0.00 C ATOM 1147 O PRO A 86 -3.569 -13.685 -4.924 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.374 -15.666 -6.996 1.00 0.00 C ATOM 1149 CG PRO A 86 -1.908 -17.033 -6.630 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.507 -16.867 -6.108 1.00 0.00 C ATOM 0 HA PRO A 86 -1.443 -13.758 -6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.460 -15.588 -6.935 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.093 -15.412 -8.018 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.556 -17.477 -5.874 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -1.926 -17.696 -7.495 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.280 -17.593 -5.327 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.234 -17.004 -6.895 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.340 -15.098 -3.676 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.151 -14.918 -2.478 1.00 0.00 C ATOM 1160 C GLN A 87 -2.683 -13.705 -1.681 1.00 0.00 C ATOM 1161 O GLN A 87 -1.655 -13.103 -1.993 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.091 -16.172 -1.603 1.00 0.00 C ATOM 1163 CG GLN A 87 -4.089 -17.244 -2.008 1.00 0.00 C ATOM 1164 CD GLN A 87 -5.450 -17.048 -1.369 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -6.067 -15.991 -1.508 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -5.926 -18.067 -0.663 1.00 0.00 N ATOM 0 H GLN A 87 -1.558 -15.743 -3.563 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.182 -14.749 -2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.085 -16.588 -1.648 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.274 -15.890 -0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.198 -17.242 -3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.698 -18.222 -1.728 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.381 -18.925 -0.574 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.837 -17.992 -0.210 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.444 -13.351 -0.650 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.107 -12.208 0.192 1.00 0.00 C ATOM 1177 C HIS A 88 -2.208 -12.634 1.350 1.00 0.00 C ATOM 1178 O HIS A 88 -2.252 -13.782 1.792 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.378 -11.553 0.732 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.184 -10.853 -0.318 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.516 -9.517 -0.246 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -5.724 -11.312 -1.472 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.227 -9.184 -1.309 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.366 -10.255 -2.069 1.00 0.00 N ATOM 0 H HIS A 88 -4.297 -13.839 -0.378 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.566 -11.485 -0.418 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -4.997 -12.315 1.205 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.106 -10.837 1.507 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.661 -12.321 -1.852 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.626 -8.203 -1.520 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.869 -10.291 -2.956 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.396 -11.701 1.835 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.488 -11.980 2.940 1.00 0.00 C ATOM 1195 C ILE A 89 -1.196 -11.836 4.283 1.00 0.00 C ATOM 1196 O ILE A 89 -2.192 -11.122 4.398 1.00 0.00 O ATOM 1197 CB ILE A 89 0.735 -11.044 2.915 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.292 -9.587 3.066 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.520 -11.233 1.625 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.349 -8.695 3.678 1.00 0.00 C ATOM 0 H ILE A 89 -1.348 -10.746 1.480 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.150 -13.009 2.818 1.00 0.00 H new ATOM 0 HB ILE A 89 1.384 -11.296 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.020 -9.195 2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.605 -9.551 3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.381 -10.565 1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.862 -12.266 1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.880 -11.004 0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.966 -7.677 3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.604 -9.063 4.672 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.239 -8.701 3.049 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.674 -12.518 5.298 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.254 -12.464 6.634 1.00 0.00 C ATOM 1214 C VAL A 90 -1.595 -11.031 7.028 1.00 0.00 C ATOM 1215 O VAL A 90 -0.712 -10.183 7.149 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.299 -13.060 7.685 1.00 0.00 C ATOM 1217 CG1 VAL A 90 1.110 -12.519 7.495 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -0.805 -12.770 9.090 1.00 0.00 C ATOM 0 H VAL A 90 0.150 -13.114 5.220 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.168 -13.057 6.606 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.268 -14.141 7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.770 -12.952 8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.470 -12.783 6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.101 -11.434 7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.118 -13.198 9.820 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.867 -11.692 9.239 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.793 -13.211 9.219 1.00 0.00 H new ATOM 1228 N GLY A 91 -2.883 -10.768 7.227 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.318 -9.436 7.605 1.00 0.00 C ATOM 1230 C GLY A 91 -4.140 -8.765 6.523 1.00 0.00 C ATOM 1231 O GLY A 91 -5.175 -8.161 6.805 1.00 0.00 O ATOM 0 H GLY A 91 -3.633 -11.453 7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.907 -9.496 8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.445 -8.822 7.827 1.00 0.00 H new ATOM 1235 N SER A 92 -3.679 -8.870 5.281 1.00 0.00 N ATOM 1236 CA SER A 92 -4.376 -8.264 4.153 1.00 0.00 C ATOM 1237 C SER A 92 -5.711 -8.960 3.901 1.00 0.00 C ATOM 1238 O SER A 92 -5.924 -10.108 4.291 1.00 0.00 O ATOM 1239 CB SER A 92 -3.509 -8.330 2.894 1.00 0.00 C ATOM 1240 OG SER A 92 -2.579 -7.261 2.859 1.00 0.00 O ATOM 0 H SER A 92 -2.826 -9.369 5.030 1.00 0.00 H new ATOM 0 HA SER A 92 -4.570 -7.220 4.398 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.976 -9.281 2.865 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.144 -8.293 2.009 1.00 0.00 H new ATOM 0 HG SER A 92 -2.672 -6.720 3.670 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.631 -8.248 3.235 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.389 -6.880 2.767 1.00 0.00 C ATOM 1248 C PRO A 93 -6.306 -5.881 3.916 1.00 0.00 C ATOM 1249 O PRO A 93 -6.519 -6.234 5.076 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.606 -6.584 1.887 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.677 -7.479 2.410 1.00 0.00 C ATOM 1252 CD PRO A 93 -7.981 -8.724 2.886 1.00 0.00 C ATOM 0 HA PRO A 93 -5.437 -6.791 2.244 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.898 -5.536 1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.395 -6.790 0.838 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.222 -7.001 3.224 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.405 -7.712 1.633 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.487 -9.163 3.746 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.949 -9.488 2.110 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.996 -4.631 3.586 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.885 -3.580 4.591 1.00 0.00 C ATOM 1262 C PHE A 94 -6.841 -2.431 4.284 1.00 0.00 C ATOM 1263 O PHE A 94 -6.777 -1.824 3.215 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.448 -3.059 4.658 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.503 -3.994 5.357 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.390 -3.979 6.738 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.730 -4.888 4.635 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.521 -4.838 7.385 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.859 -5.749 5.276 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.755 -5.725 6.652 1.00 0.00 C ATOM 0 H PHE A 94 -5.817 -4.322 2.631 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.155 -4.006 5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.087 -2.881 3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.442 -2.098 5.172 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.987 -3.289 7.315 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.809 -4.913 3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.441 -4.816 8.462 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.260 -6.440 4.701 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.076 -6.398 7.155 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.727 -2.138 5.229 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.697 -1.062 5.063 1.00 0.00 C ATOM 1282 C LYS A 95 -8.110 0.273 5.510 1.00 0.00 C ATOM 1283 O LYS A 95 -7.740 0.441 6.671 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.968 -1.366 5.860 1.00 0.00 C ATOM 1285 CG LYS A 95 -11.107 -0.401 5.579 1.00 0.00 C ATOM 1286 CD LYS A 95 -11.792 -0.715 4.260 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.693 -1.935 4.377 1.00 0.00 C ATOM 1288 NZ LYS A 95 -14.075 -1.567 4.788 1.00 0.00 N ATOM 0 H LYS A 95 -7.794 -2.631 6.119 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.948 -0.992 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.297 -2.380 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.735 -1.339 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.835 -0.451 6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.724 0.619 5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.381 0.145 3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.040 -0.889 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.725 -2.455 3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.271 -2.630 5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.657 -2.426 4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.047 -1.093 5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.488 -0.924 4.082 1.00 0.00 H new ATOM 1302 N ALA A 96 -8.031 1.220 4.581 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.493 2.541 4.881 1.00 0.00 C ATOM 1304 C ALA A 96 -8.589 3.600 4.850 1.00 0.00 C ATOM 1305 O ALA A 96 -9.248 3.798 3.829 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.386 2.896 3.898 1.00 0.00 C ATOM 0 H ALA A 96 -8.333 1.097 3.614 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.076 2.516 5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.993 3.885 4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.585 2.161 3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.786 2.897 2.884 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.782 4.278 5.977 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.798 5.318 6.080 1.00 0.00 C ATOM 1314 C LYS A 97 -9.156 6.693 6.232 1.00 0.00 C ATOM 1315 O LYS A 97 -8.602 7.019 7.282 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.722 5.041 7.269 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.715 6.157 7.540 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.730 5.755 8.597 1.00 0.00 C ATOM 1319 CE LYS A 97 -12.213 6.032 10.001 1.00 0.00 C ATOM 1320 NZ LYS A 97 -13.135 5.506 11.045 1.00 0.00 N ATOM 0 H LYS A 97 -8.247 4.125 6.832 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.385 5.310 5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.269 4.116 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.115 4.881 8.160 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.181 7.049 7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.233 6.417 6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.660 6.301 8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.961 4.695 8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.230 5.577 10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.086 7.106 10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.748 5.715 11.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.066 5.958 10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.236 4.477 10.932 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.236 7.498 5.177 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.665 8.840 5.194 1.00 0.00 C ATOM 1336 C VAL A 98 -9.735 9.889 5.479 1.00 0.00 C ATOM 1337 O VAL A 98 -10.822 9.856 4.902 1.00 0.00 O ATOM 1338 CB VAL A 98 -7.977 9.174 3.857 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.399 10.580 3.891 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -6.896 8.151 3.545 1.00 0.00 C ATOM 0 H VAL A 98 -9.691 7.244 4.300 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.922 8.858 5.991 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.723 9.133 3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.917 10.798 2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.200 11.298 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.665 10.652 4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.420 8.402 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.149 8.157 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.343 7.159 3.475 1.00 0.00 H new ATOM 1350 N THR A 99 -9.418 10.821 6.372 1.00 0.00 N ATOM 1351 CA THR A 99 -10.352 11.880 6.735 1.00 0.00 C ATOM 1352 C THR A 99 -9.860 13.237 6.245 1.00 0.00 C ATOM 1353 O THR A 99 -8.677 13.413 5.959 1.00 0.00 O ATOM 1354 CB THR A 99 -10.565 11.943 8.259 1.00 0.00 C ATOM 1355 OG1 THR A 99 -11.354 13.090 8.596 1.00 0.00 O ATOM 1356 CG2 THR A 99 -9.233 12.005 8.990 1.00 0.00 C ATOM 0 H THR A 99 -8.522 10.864 6.857 1.00 0.00 H new ATOM 0 HA THR A 99 -11.301 11.645 6.253 1.00 0.00 H new ATOM 0 HB THR A 99 -11.089 11.038 8.568 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.487 13.122 9.566 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.409 12.049 10.065 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.647 11.117 8.754 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.686 12.894 8.676 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.777 14.196 6.153 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.417 15.526 5.698 1.00 0.00 C ATOM 1366 C GLY A 100 -11.113 15.906 4.406 1.00 0.00 C ATOM 1367 O GLY A 100 -11.626 15.055 3.679 1.00 0.00 O ATOM 0 H GLY A 100 -11.763 14.075 6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.671 16.252 6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.338 15.578 5.554 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.139 17.212 4.106 1.00 0.00 N ATOM 1372 CA PRO A 101 -11.776 17.733 2.892 1.00 0.00 C ATOM 1373 C PRO A 101 -11.010 17.357 1.628 1.00 0.00 C ATOM 1374 O PRO A 101 -9.780 17.338 1.620 1.00 0.00 O ATOM 1375 CB PRO A 101 -11.752 19.249 3.102 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.609 19.486 4.027 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.548 18.283 4.927 1.00 0.00 C ATOM 0 HA PRO A 101 -12.776 17.325 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.614 19.777 2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.689 19.604 3.531 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.678 19.607 3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.757 20.398 4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.523 18.049 5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.110 18.441 5.847 1.00 0.00 H new