USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 792 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 84 SER OG : rot 35:sc= 0.0158 USER MOD Set 1.2: A 86 TYR OH : rot 54:sc= -1.86! USER MOD Set 2.1: A 49 GLN : amide:sc= -1.89 X(o=-2.1,f=-2.4) USER MOD Set 2.2: A 52 GLN : amide:sc= -0.23 X(o=-2.1,f=-2.2) USER MOD Set 3.1: A 40 LYS NZ :NH3+ 142:sc= 1.27 (180deg=1.01) USER MOD Set 3.2: A 41 GLN : amide:sc= -0.0775 K(o=1.2,f=-1.6!) USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= 1.09 USER MOD Set 4.2: A 11 THR OG1 : rot 168:sc= 1.2 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.0508 (180deg=-0.329) USER MOD Single : A 17 TYR OH : rot -120:sc= 0.77 USER MOD Single : A 22 CYS SG : rot -60:sc= 0.0556 USER MOD Single : A 25 LYS NZ :NH3+ 138:sc= 0.717 (180deg=-1.03!) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0.965 (180deg=0.605) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.21) USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= -0.0764 (180deg=-0.523) USER MOD Single : A 36 LYS NZ :NH3+ -160:sc=-0.00341 (180deg=-0.159) USER MOD Single : A 43 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.11) USER MOD Single : A 44 THR OG1 : rot -87:sc= 0.363 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 46 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.32) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -120:sc= -0.591 USER MOD Single : A 67 THR OG1 : rot 115:sc= 1.26 USER MOD Single : A 68 SER OG : rot 180:sc= 0.00822 USER MOD Single : A 71 SER OG : rot 100:sc= 1.33 USER MOD Single : A 73 GLN : amide:sc= -2.71 K(o=-2.7,f=-4.1!) USER MOD Single : A 78 SER OG : rot -150:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0913 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -90:sc= 0.471 USER MOD Single : A 102 SER OG : rot -150:sc= 0 USER MOD Single : A 104 CYS SG : rot 166:sc= 0.38 USER MOD ----------------------------------------------------------------- ATOM 64 N TYR A 6 3.548 3.964 -8.295 1.00 0.00 N ATOM 65 CA TYR A 6 3.523 2.553 -8.159 1.00 0.00 C ATOM 66 C TYR A 6 4.684 1.971 -8.919 1.00 0.00 C ATOM 67 O TYR A 6 5.138 2.556 -9.886 1.00 0.00 O ATOM 68 CB TYR A 6 2.188 1.975 -8.698 1.00 0.00 C ATOM 69 CG TYR A 6 1.926 2.245 -10.175 1.00 0.00 C ATOM 70 CD1 TYR A 6 1.406 3.459 -10.600 1.00 0.00 C ATOM 71 CD2 TYR A 6 2.205 1.284 -11.137 1.00 0.00 C ATOM 72 CE1 TYR A 6 1.172 3.706 -11.934 1.00 0.00 C ATOM 73 CE2 TYR A 6 1.975 1.524 -12.471 1.00 0.00 C ATOM 74 CZ TYR A 6 1.459 2.736 -12.863 1.00 0.00 C ATOM 75 OH TYR A 6 1.225 2.979 -14.190 1.00 0.00 O ATOM 0 HA TYR A 6 3.602 2.291 -7.104 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.182 0.898 -8.533 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.366 2.391 -8.115 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.181 4.224 -9.871 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.610 0.330 -10.832 1.00 0.00 H new ATOM 0 HE1 TYR A 6 0.766 4.656 -12.248 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.198 0.765 -13.206 1.00 0.00 H new ATOM 0 HH TYR A 6 1.482 2.194 -14.717 1.00 0.00 H new ATOM 85 N LEU A 7 5.179 0.883 -8.448 1.00 0.00 N ATOM 86 CA LEU A 7 6.205 0.130 -9.128 1.00 0.00 C ATOM 87 C LEU A 7 5.562 -0.903 -10.036 1.00 0.00 C ATOM 88 O LEU A 7 4.334 -0.972 -10.131 1.00 0.00 O ATOM 89 CB LEU A 7 7.160 -0.503 -8.120 1.00 0.00 C ATOM 90 CG LEU A 7 8.172 0.457 -7.501 1.00 0.00 C ATOM 91 CD1 LEU A 7 8.685 -0.088 -6.194 1.00 0.00 C ATOM 92 CD2 LEU A 7 9.340 0.642 -8.457 1.00 0.00 C ATOM 0 H LEU A 7 4.885 0.472 -7.562 1.00 0.00 H new ATOM 0 HA LEU A 7 6.799 0.799 -9.751 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.573 -0.954 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.702 -1.310 -8.613 1.00 0.00 H new ATOM 0 HG LEU A 7 7.682 1.413 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.406 0.609 -5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.853 -0.219 -5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.169 -1.050 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.065 1.327 -8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.816 -0.321 -8.640 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.977 1.053 -9.399 1.00 0.00 H new ATOM 104 N THR A 8 6.364 -1.712 -10.655 1.00 0.00 N ATOM 105 CA THR A 8 5.910 -2.590 -11.684 1.00 0.00 C ATOM 106 C THR A 8 6.280 -4.050 -11.384 1.00 0.00 C ATOM 107 O THR A 8 7.211 -4.313 -10.624 1.00 0.00 O ATOM 108 CB THR A 8 6.497 -2.096 -13.018 1.00 0.00 C ATOM 109 OG1 THR A 8 7.915 -1.802 -12.846 1.00 0.00 O ATOM 110 CG2 THR A 8 5.771 -0.837 -13.458 1.00 0.00 C ATOM 0 H THR A 8 7.362 -1.781 -10.457 1.00 0.00 H new ATOM 0 HA THR A 8 4.822 -2.573 -11.741 1.00 0.00 H new ATOM 0 HB THR A 8 6.374 -2.870 -13.776 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.290 -1.489 -13.696 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.188 -0.488 -14.403 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.711 -1.055 -13.587 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.893 -0.063 -12.700 1.00 0.00 H new ATOM 118 N VAL A 9 5.550 -4.992 -11.960 1.00 0.00 N ATOM 119 CA VAL A 9 5.750 -6.401 -11.645 1.00 0.00 C ATOM 120 C VAL A 9 6.869 -7.018 -12.494 1.00 0.00 C ATOM 121 O VAL A 9 7.014 -6.704 -13.687 1.00 0.00 O ATOM 122 CB VAL A 9 4.426 -7.225 -11.759 1.00 0.00 C ATOM 123 CG1 VAL A 9 3.885 -7.268 -13.184 1.00 0.00 C ATOM 124 CG2 VAL A 9 4.598 -8.624 -11.188 1.00 0.00 C ATOM 0 H VAL A 9 4.817 -4.810 -12.645 1.00 0.00 H new ATOM 0 HA VAL A 9 6.065 -6.447 -10.603 1.00 0.00 H new ATOM 0 HB VAL A 9 3.679 -6.705 -11.159 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.965 -7.853 -13.207 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.679 -6.254 -13.526 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.624 -7.729 -13.840 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.661 -9.173 -11.281 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.381 -9.147 -11.737 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.875 -8.556 -10.136 1.00 0.00 H new ATOM 134 N GLY A 10 7.681 -7.858 -11.867 1.00 0.00 N ATOM 135 CA GLY A 10 8.799 -8.482 -12.546 1.00 0.00 C ATOM 136 C GLY A 10 10.036 -7.634 -12.425 1.00 0.00 C ATOM 137 O GLY A 10 11.134 -8.026 -12.829 1.00 0.00 O ATOM 0 H GLY A 10 7.583 -8.121 -10.886 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.985 -9.468 -12.120 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.555 -8.630 -13.598 1.00 0.00 H new ATOM 141 N THR A 11 9.855 -6.481 -11.856 1.00 0.00 N ATOM 142 CA THR A 11 10.878 -5.546 -11.674 1.00 0.00 C ATOM 143 C THR A 11 11.731 -5.916 -10.471 1.00 0.00 C ATOM 144 O THR A 11 11.220 -6.297 -9.407 1.00 0.00 O ATOM 145 CB THR A 11 10.241 -4.171 -11.552 1.00 0.00 C ATOM 146 OG1 THR A 11 9.528 -3.911 -12.776 1.00 0.00 O ATOM 147 CG2 THR A 11 11.259 -3.096 -11.325 1.00 0.00 C ATOM 0 H THR A 11 8.951 -6.172 -11.499 1.00 0.00 H new ATOM 0 HA THR A 11 11.557 -5.537 -12.527 1.00 0.00 H new ATOM 0 HB THR A 11 9.573 -4.164 -10.691 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.947 -3.130 -12.657 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.758 -2.131 -11.244 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.804 -3.300 -10.403 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.957 -3.073 -12.162 1.00 0.00 H new ATOM 155 N ASP A 12 13.006 -5.852 -10.662 1.00 0.00 N ATOM 156 CA ASP A 12 13.956 -6.242 -9.666 1.00 0.00 C ATOM 157 C ASP A 12 14.325 -5.021 -8.852 1.00 0.00 C ATOM 158 O ASP A 12 14.644 -3.982 -9.418 1.00 0.00 O ATOM 159 CB ASP A 12 15.161 -6.818 -10.368 1.00 0.00 C ATOM 160 CG ASP A 12 16.093 -7.521 -9.451 1.00 0.00 C ATOM 161 OD1 ASP A 12 15.720 -8.587 -8.941 1.00 0.00 O ATOM 162 OD2 ASP A 12 17.242 -7.077 -9.282 1.00 0.00 O ATOM 0 H ASP A 12 13.428 -5.522 -11.530 1.00 0.00 H new ATOM 0 HA ASP A 12 13.547 -6.996 -8.993 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.827 -7.513 -11.138 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.697 -6.015 -10.874 1.00 0.00 H new ATOM 167 N VAL A 13 14.252 -5.121 -7.541 1.00 0.00 N ATOM 168 CA VAL A 13 14.441 -3.973 -6.662 1.00 0.00 C ATOM 169 C VAL A 13 15.307 -4.315 -5.453 1.00 0.00 C ATOM 170 O VAL A 13 15.825 -5.426 -5.319 1.00 0.00 O ATOM 171 CB VAL A 13 13.075 -3.429 -6.128 1.00 0.00 C ATOM 172 CG1 VAL A 13 12.200 -2.921 -7.253 1.00 0.00 C ATOM 173 CG2 VAL A 13 12.336 -4.506 -5.339 1.00 0.00 C ATOM 0 H VAL A 13 14.061 -5.995 -7.051 1.00 0.00 H new ATOM 0 HA VAL A 13 14.938 -3.215 -7.268 1.00 0.00 H new ATOM 0 HB VAL A 13 13.296 -2.592 -5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.260 -2.551 -6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.712 -2.113 -7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.997 -3.733 -7.951 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.389 -4.106 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.145 -5.363 -5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.946 -4.819 -4.491 1.00 0.00 H new ATOM 183 N SER A 14 15.502 -3.337 -4.605 1.00 0.00 N ATOM 184 CA SER A 14 16.150 -3.547 -3.349 1.00 0.00 C ATOM 185 C SER A 14 15.222 -3.017 -2.261 1.00 0.00 C ATOM 186 O SER A 14 14.613 -1.965 -2.449 1.00 0.00 O ATOM 187 CB SER A 14 17.505 -2.840 -3.336 1.00 0.00 C ATOM 188 OG SER A 14 18.333 -3.331 -4.400 1.00 0.00 O ATOM 0 H SER A 14 15.213 -2.373 -4.773 1.00 0.00 H new ATOM 0 HA SER A 14 16.344 -4.605 -3.175 1.00 0.00 H new ATOM 0 HB2 SER A 14 17.363 -1.765 -3.443 1.00 0.00 H new ATOM 0 HB3 SER A 14 17.998 -3.002 -2.378 1.00 0.00 H new ATOM 0 HG SER A 14 19.197 -2.869 -4.382 1.00 0.00 H new ATOM 194 N ALA A 15 15.066 -3.763 -1.192 1.00 0.00 N ATOM 195 CA ALA A 15 14.192 -3.400 -0.086 1.00 0.00 C ATOM 196 C ALA A 15 14.996 -3.481 1.191 1.00 0.00 C ATOM 197 O ALA A 15 15.755 -4.427 1.367 1.00 0.00 O ATOM 198 CB ALA A 15 13.019 -4.372 -0.023 1.00 0.00 C ATOM 0 H ALA A 15 15.547 -4.653 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 15 13.802 -2.391 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.365 -4.100 0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.459 -4.328 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.393 -5.385 0.128 1.00 0.00 H new ATOM 204 N LYS A 16 14.886 -2.509 2.068 1.00 0.00 N ATOM 205 CA LYS A 16 15.696 -2.566 3.279 1.00 0.00 C ATOM 206 C LYS A 16 14.995 -3.218 4.444 1.00 0.00 C ATOM 207 O LYS A 16 13.776 -3.078 4.633 1.00 0.00 O ATOM 208 CB LYS A 16 16.276 -1.219 3.692 1.00 0.00 C ATOM 209 CG LYS A 16 15.251 -0.206 4.084 1.00 0.00 C ATOM 210 CD LYS A 16 15.896 1.042 4.643 1.00 0.00 C ATOM 211 CE LYS A 16 14.869 1.946 5.296 1.00 0.00 C ATOM 212 NZ LYS A 16 14.292 1.350 6.523 1.00 0.00 N ATOM 0 H LYS A 16 14.273 -1.698 1.980 1.00 0.00 H new ATOM 0 HA LYS A 16 16.532 -3.207 3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 16 16.959 -1.371 4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.866 -0.822 2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.643 0.053 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.579 -0.635 4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.657 0.765 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.403 1.582 3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.334 2.901 5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.069 2.155 4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.827 2.092 7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.594 0.625 6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.050 0.914 7.086 1.00 0.00 H new ATOM 226 N TYR A 17 15.780 -3.949 5.203 1.00 0.00 N ATOM 227 CA TYR A 17 15.363 -4.617 6.405 1.00 0.00 C ATOM 228 C TYR A 17 16.433 -4.342 7.437 1.00 0.00 C ATOM 229 O TYR A 17 17.613 -4.560 7.180 1.00 0.00 O ATOM 230 CB TYR A 17 15.219 -6.132 6.163 1.00 0.00 C ATOM 231 CG TYR A 17 14.318 -6.447 4.995 1.00 0.00 C ATOM 232 CD1 TYR A 17 12.938 -6.482 5.139 1.00 0.00 C ATOM 233 CD2 TYR A 17 14.854 -6.666 3.737 1.00 0.00 C ATOM 234 CE1 TYR A 17 12.122 -6.724 4.057 1.00 0.00 C ATOM 235 CE2 TYR A 17 14.049 -6.911 2.658 1.00 0.00 C ATOM 236 CZ TYR A 17 12.683 -6.937 2.818 1.00 0.00 C ATOM 237 OH TYR A 17 11.879 -7.171 1.732 1.00 0.00 O ATOM 0 H TYR A 17 16.766 -4.097 4.987 1.00 0.00 H new ATOM 0 HA TYR A 17 14.391 -4.255 6.739 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.204 -6.563 5.985 1.00 0.00 H new ATOM 0 HB3 TYR A 17 14.822 -6.604 7.062 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.499 -6.317 6.112 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.926 -6.643 3.605 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.049 -6.747 4.179 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.484 -7.083 1.685 1.00 0.00 H new ATOM 0 HH TYR A 17 12.091 -8.049 1.351 1.00 0.00 H new ATOM 247 N ARG A 18 16.025 -3.802 8.568 1.00 0.00 N ATOM 248 CA ARG A 18 16.917 -3.392 9.669 1.00 0.00 C ATOM 249 C ARG A 18 17.955 -2.356 9.182 1.00 0.00 C ATOM 250 O ARG A 18 19.023 -2.192 9.782 1.00 0.00 O ATOM 251 CB ARG A 18 17.648 -4.597 10.359 1.00 0.00 C ATOM 252 CG ARG A 18 16.748 -5.677 10.989 1.00 0.00 C ATOM 253 CD ARG A 18 16.195 -6.620 9.937 1.00 0.00 C ATOM 254 NE ARG A 18 15.269 -7.623 10.464 1.00 0.00 N ATOM 255 CZ ARG A 18 14.828 -8.672 9.754 1.00 0.00 C ATOM 256 NH1 ARG A 18 15.378 -8.951 8.576 1.00 0.00 N ATOM 257 NH2 ARG A 18 13.881 -9.464 10.237 1.00 0.00 N ATOM 0 H ARG A 18 15.040 -3.626 8.766 1.00 0.00 H new ATOM 0 HA ARG A 18 16.272 -2.938 10.421 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.289 -5.076 9.619 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.300 -4.200 11.137 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.318 -6.244 11.724 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.925 -5.201 11.522 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.684 -6.035 9.172 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.025 -7.129 9.447 1.00 0.00 H new ATOM 0 HE ARG A 18 14.941 -7.519 11.424 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.133 -8.368 8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.045 -9.748 8.034 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.481 -9.278 11.157 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.553 -10.259 9.689 1.00 0.00 H new ATOM 271 N GLY A 19 17.612 -1.626 8.130 1.00 0.00 N ATOM 272 CA GLY A 19 18.514 -0.621 7.586 1.00 0.00 C ATOM 273 C GLY A 19 19.411 -1.154 6.468 1.00 0.00 C ATOM 274 O GLY A 19 20.087 -0.384 5.787 1.00 0.00 O ATOM 0 H GLY A 19 16.722 -1.710 7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.928 0.215 7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 19 19.139 -0.231 8.389 1.00 0.00 H new ATOM 278 N ALA A 20 19.409 -2.447 6.265 1.00 0.00 N ATOM 279 CA ALA A 20 20.235 -3.050 5.240 1.00 0.00 C ATOM 280 C ALA A 20 19.371 -3.418 4.057 1.00 0.00 C ATOM 281 O ALA A 20 18.314 -4.016 4.227 1.00 0.00 O ATOM 282 CB ALA A 20 20.944 -4.277 5.783 1.00 0.00 C ATOM 0 H ALA A 20 18.843 -3.108 6.797 1.00 0.00 H new ATOM 0 HA ALA A 20 20.994 -2.335 4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 20 21.560 -4.718 4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 20 21.576 -3.990 6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.206 -5.006 6.117 1.00 0.00 H new ATOM 288 N PHE A 21 19.794 -3.049 2.879 1.00 0.00 N ATOM 289 CA PHE A 21 19.018 -3.315 1.689 1.00 0.00 C ATOM 290 C PHE A 21 19.297 -4.707 1.169 1.00 0.00 C ATOM 291 O PHE A 21 20.449 -5.067 0.918 1.00 0.00 O ATOM 292 CB PHE A 21 19.271 -2.269 0.593 1.00 0.00 C ATOM 293 CG PHE A 21 18.981 -0.855 1.001 1.00 0.00 C ATOM 294 CD1 PHE A 21 19.936 -0.095 1.641 1.00 0.00 C ATOM 295 CD2 PHE A 21 17.751 -0.288 0.741 1.00 0.00 C ATOM 296 CE1 PHE A 21 19.672 1.199 2.018 1.00 0.00 C ATOM 297 CE2 PHE A 21 17.482 1.009 1.117 1.00 0.00 C ATOM 298 CZ PHE A 21 18.444 1.753 1.756 1.00 0.00 C ATOM 0 H PHE A 21 20.674 -2.561 2.713 1.00 0.00 H new ATOM 0 HA PHE A 21 17.966 -3.249 1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 21 20.312 -2.336 0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.659 -2.516 -0.275 1.00 0.00 H new ATOM 0 HD1 PHE A 21 20.906 -0.523 1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 21 16.991 -0.867 0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 21 20.431 1.781 2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.514 1.442 0.909 1.00 0.00 H new ATOM 0 HZ PHE A 21 18.235 2.771 2.051 1.00 0.00 H new ATOM 308 N CYS A 22 18.266 -5.486 1.063 1.00 0.00 N ATOM 309 CA CYS A 22 18.352 -6.805 0.538 1.00 0.00 C ATOM 310 C CYS A 22 17.729 -6.794 -0.836 1.00 0.00 C ATOM 311 O CYS A 22 16.824 -5.978 -1.114 1.00 0.00 O ATOM 312 CB CYS A 22 17.634 -7.802 1.459 1.00 0.00 C ATOM 313 SG CYS A 22 17.742 -9.537 0.941 1.00 0.00 S ATOM 0 H CYS A 22 17.325 -5.214 1.346 1.00 0.00 H new ATOM 0 HA CYS A 22 19.393 -7.121 0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.050 -7.711 2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.582 -7.522 1.523 1.00 0.00 H new ATOM 0 HG CYS A 22 17.214 -9.671 -0.239 1.00 0.00 H new ATOM 319 N GLU A 23 18.216 -7.632 -1.703 1.00 0.00 N ATOM 320 CA GLU A 23 17.713 -7.693 -3.041 1.00 0.00 C ATOM 321 C GLU A 23 16.426 -8.517 -3.040 1.00 0.00 C ATOM 322 O GLU A 23 16.293 -9.497 -2.275 1.00 0.00 O ATOM 323 CB GLU A 23 18.767 -8.311 -3.967 1.00 0.00 C ATOM 324 CG GLU A 23 18.886 -9.816 -3.851 1.00 0.00 C ATOM 325 CD GLU A 23 20.148 -10.353 -4.458 1.00 0.00 C ATOM 326 OE1 GLU A 23 21.184 -10.422 -3.750 1.00 0.00 O ATOM 327 OE2 GLU A 23 20.141 -10.722 -5.648 1.00 0.00 O ATOM 0 H GLU A 23 18.970 -8.289 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 23 17.494 -6.691 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 23 18.524 -8.055 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 23 19.736 -7.863 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 23 18.847 -10.098 -2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 23 18.029 -10.281 -4.338 1.00 0.00 H new ATOM 334 N ALA A 24 15.497 -8.121 -3.847 1.00 0.00 N ATOM 335 CA ALA A 24 14.241 -8.790 -3.958 1.00 0.00 C ATOM 336 C ALA A 24 13.611 -8.408 -5.263 1.00 0.00 C ATOM 337 O ALA A 24 13.818 -7.309 -5.759 1.00 0.00 O ATOM 338 CB ALA A 24 13.323 -8.437 -2.795 1.00 0.00 C ATOM 0 H ALA A 24 15.590 -7.310 -4.458 1.00 0.00 H new ATOM 0 HA ALA A 24 14.402 -9.867 -3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.374 -8.962 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 24 13.793 -8.734 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.144 -7.362 -2.786 1.00 0.00 H new ATOM 344 N LYS A 25 12.874 -9.281 -5.826 1.00 0.00 N ATOM 345 CA LYS A 25 12.261 -9.000 -7.083 1.00 0.00 C ATOM 346 C LYS A 25 10.757 -8.980 -6.924 1.00 0.00 C ATOM 347 O LYS A 25 10.200 -9.853 -6.286 1.00 0.00 O ATOM 348 CB LYS A 25 12.719 -10.011 -8.130 1.00 0.00 C ATOM 349 CG LYS A 25 12.032 -9.835 -9.483 1.00 0.00 C ATOM 350 CD LYS A 25 12.459 -10.860 -10.536 1.00 0.00 C ATOM 351 CE LYS A 25 13.812 -10.550 -11.195 1.00 0.00 C ATOM 352 NZ LYS A 25 14.984 -10.706 -10.305 1.00 0.00 N ATOM 0 H LYS A 25 12.673 -10.205 -5.443 1.00 0.00 H new ATOM 0 HA LYS A 25 12.569 -8.015 -7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.797 -9.922 -8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.526 -11.018 -7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.953 -9.902 -9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.243 -8.834 -9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.510 -11.844 -10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.693 -10.912 -11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.939 -11.204 -12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.792 -9.527 -11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.755 -11.173 -10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.302 -9.770 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.720 -11.285 -9.482 1.00 0.00 H new ATOM 366 N ILE A 26 10.119 -7.964 -7.459 1.00 0.00 N ATOM 367 CA ILE A 26 8.681 -7.804 -7.367 1.00 0.00 C ATOM 368 C ILE A 26 7.938 -8.971 -8.027 1.00 0.00 C ATOM 369 O ILE A 26 7.892 -9.105 -9.255 1.00 0.00 O ATOM 370 CB ILE A 26 8.216 -6.452 -7.954 1.00 0.00 C ATOM 371 CG1 ILE A 26 8.949 -5.298 -7.250 1.00 0.00 C ATOM 372 CG2 ILE A 26 6.719 -6.306 -7.770 1.00 0.00 C ATOM 373 CD1 ILE A 26 8.630 -3.924 -7.791 1.00 0.00 C ATOM 0 H ILE A 26 10.585 -7.218 -7.975 1.00 0.00 H new ATOM 0 HA ILE A 26 8.431 -7.808 -6.306 1.00 0.00 H new ATOM 0 HB ILE A 26 8.449 -6.421 -9.018 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.701 -5.322 -6.189 1.00 0.00 H new ATOM 0 HG13 ILE A 26 10.023 -5.465 -7.331 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.393 -5.352 -8.184 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.208 -7.119 -8.285 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.478 -6.341 -6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.192 -3.174 -7.234 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.905 -3.875 -8.845 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.563 -3.730 -7.685 1.00 0.00 H new ATOM 385 N LYS A 27 7.370 -9.782 -7.181 1.00 0.00 N ATOM 386 CA LYS A 27 6.655 -10.977 -7.524 1.00 0.00 C ATOM 387 C LYS A 27 5.211 -10.626 -7.890 1.00 0.00 C ATOM 388 O LYS A 27 4.679 -11.122 -8.875 1.00 0.00 O ATOM 389 CB LYS A 27 6.672 -11.894 -6.289 1.00 0.00 C ATOM 390 CG LYS A 27 5.992 -13.238 -6.426 1.00 0.00 C ATOM 391 CD LYS A 27 6.764 -14.191 -7.312 1.00 0.00 C ATOM 392 CE LYS A 27 6.169 -15.592 -7.253 1.00 0.00 C ATOM 393 NZ LYS A 27 6.229 -16.171 -5.879 1.00 0.00 N ATOM 0 H LYS A 27 7.395 -9.617 -6.175 1.00 0.00 H new ATOM 0 HA LYS A 27 7.116 -11.473 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.711 -12.066 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.203 -11.359 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.871 -13.683 -5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.992 -13.095 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.751 -13.829 -8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.807 -14.221 -6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.132 -15.559 -7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.706 -16.242 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.940 -17.170 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.201 -16.103 -5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.587 -15.645 -5.252 1.00 0.00 H new ATOM 407 N THR A 28 4.590 -9.775 -7.088 1.00 0.00 N ATOM 408 CA THR A 28 3.204 -9.372 -7.304 1.00 0.00 C ATOM 409 C THR A 28 3.053 -7.858 -7.038 1.00 0.00 C ATOM 410 O THR A 28 3.725 -7.313 -6.150 1.00 0.00 O ATOM 411 CB THR A 28 2.262 -10.123 -6.325 1.00 0.00 C ATOM 412 OG1 THR A 28 2.599 -11.535 -6.274 1.00 0.00 O ATOM 413 CG2 THR A 28 0.800 -9.983 -6.752 1.00 0.00 C ATOM 0 H THR A 28 5.027 -9.345 -6.273 1.00 0.00 H new ATOM 0 HA THR A 28 2.939 -9.611 -8.334 1.00 0.00 H new ATOM 0 HB THR A 28 2.394 -9.676 -5.340 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.997 -11.993 -5.651 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.163 -10.519 -6.049 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.523 -8.929 -6.762 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.671 -10.402 -7.750 1.00 0.00 H new ATOM 421 N VAL A 29 2.191 -7.206 -7.802 1.00 0.00 N ATOM 422 CA VAL A 29 1.882 -5.794 -7.644 1.00 0.00 C ATOM 423 C VAL A 29 0.391 -5.609 -7.509 1.00 0.00 C ATOM 424 O VAL A 29 -0.379 -5.958 -8.410 1.00 0.00 O ATOM 425 CB VAL A 29 2.376 -4.919 -8.842 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.902 -3.475 -8.705 1.00 0.00 C ATOM 427 CG2 VAL A 29 3.860 -4.929 -8.897 1.00 0.00 C ATOM 0 H VAL A 29 1.678 -7.651 -8.563 1.00 0.00 H new ATOM 0 HA VAL A 29 2.407 -5.464 -6.748 1.00 0.00 H new ATOM 0 HB VAL A 29 1.960 -5.343 -9.756 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.262 -2.892 -9.553 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.812 -3.450 -8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.293 -3.050 -7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.197 -4.317 -9.734 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.261 -4.525 -7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.212 -5.952 -9.030 1.00 0.00 H new ATOM 437 N LYS A 30 -0.017 -5.097 -6.399 1.00 0.00 N ATOM 438 CA LYS A 30 -1.408 -4.754 -6.202 1.00 0.00 C ATOM 439 C LYS A 30 -1.534 -3.293 -5.841 1.00 0.00 C ATOM 440 O LYS A 30 -1.112 -2.886 -4.760 1.00 0.00 O ATOM 441 CB LYS A 30 -2.119 -5.628 -5.137 1.00 0.00 C ATOM 442 CG LYS A 30 -2.232 -7.116 -5.489 1.00 0.00 C ATOM 443 CD LYS A 30 -3.240 -7.865 -4.591 1.00 0.00 C ATOM 444 CE LYS A 30 -4.686 -7.391 -4.835 1.00 0.00 C ATOM 445 NZ LYS A 30 -5.689 -8.158 -4.052 1.00 0.00 N ATOM 0 H LYS A 30 0.587 -4.901 -5.601 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.911 -4.953 -7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.581 -5.533 -4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.121 -5.232 -4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.535 -7.217 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.251 -7.583 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.171 -8.936 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.979 -7.711 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.764 -6.334 -4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.917 -7.480 -5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.646 -7.901 -4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.538 -9.177 -4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.586 -7.934 -3.042 1.00 0.00 H new ATOM 459 N ARG A 31 -2.032 -2.499 -6.768 1.00 0.00 N ATOM 460 CA ARG A 31 -2.305 -1.093 -6.506 1.00 0.00 C ATOM 461 C ARG A 31 -3.593 -0.999 -5.710 1.00 0.00 C ATOM 462 O ARG A 31 -4.685 -1.218 -6.251 1.00 0.00 O ATOM 463 CB ARG A 31 -2.447 -0.295 -7.813 1.00 0.00 C ATOM 464 CG ARG A 31 -1.177 -0.199 -8.638 1.00 0.00 C ATOM 465 CD ARG A 31 -1.391 0.635 -9.896 1.00 0.00 C ATOM 466 NE ARG A 31 -2.338 0.019 -10.841 1.00 0.00 N ATOM 467 CZ ARG A 31 -2.724 0.563 -12.006 1.00 0.00 C ATOM 468 NH1 ARG A 31 -2.408 1.828 -12.303 1.00 0.00 N ATOM 469 NH2 ARG A 31 -3.480 -0.137 -12.842 1.00 0.00 N ATOM 0 H ARG A 31 -2.258 -2.802 -7.715 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.471 -0.667 -5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.225 -0.756 -8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.785 0.713 -7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.384 0.245 -8.036 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.845 -1.200 -8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.759 1.621 -9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.433 0.783 -10.395 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.730 -0.889 -10.592 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.869 2.388 -11.642 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.706 2.233 -13.191 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.766 -1.085 -12.599 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.775 0.273 -13.728 1.00 0.00 H new ATOM 483 N LEU A 32 -3.484 -0.718 -4.443 1.00 0.00 N ATOM 484 CA LEU A 32 -4.643 -0.703 -3.594 1.00 0.00 C ATOM 485 C LEU A 32 -4.661 0.536 -2.743 1.00 0.00 C ATOM 486 O LEU A 32 -3.769 0.777 -1.975 1.00 0.00 O ATOM 487 CB LEU A 32 -4.746 -1.991 -2.710 1.00 0.00 C ATOM 488 CG LEU A 32 -3.752 -2.207 -1.529 1.00 0.00 C ATOM 489 CD1 LEU A 32 -4.010 -3.528 -0.866 1.00 0.00 C ATOM 490 CD2 LEU A 32 -2.312 -2.149 -1.955 1.00 0.00 C ATOM 0 H LEU A 32 -2.606 -0.496 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.519 -0.692 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.754 -2.020 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.651 -2.849 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.925 -1.388 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.308 -3.665 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.030 -3.549 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.880 -4.331 -1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.670 -2.306 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.120 -2.926 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.101 -1.173 -2.391 1.00 0.00 H new ATOM 502 N VAL A 33 -5.668 1.308 -2.873 1.00 0.00 N ATOM 503 CA VAL A 33 -5.766 2.493 -2.083 1.00 0.00 C ATOM 504 C VAL A 33 -6.374 2.100 -0.758 1.00 0.00 C ATOM 505 O VAL A 33 -7.356 1.365 -0.732 1.00 0.00 O ATOM 506 CB VAL A 33 -6.671 3.554 -2.772 1.00 0.00 C ATOM 507 CG1 VAL A 33 -6.693 4.852 -1.982 1.00 0.00 C ATOM 508 CG2 VAL A 33 -6.225 3.804 -4.206 1.00 0.00 C ATOM 0 H VAL A 33 -6.443 1.150 -3.517 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.777 2.934 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.686 3.157 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.333 5.575 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.080 4.662 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.681 5.251 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.875 4.550 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.197 4.167 -4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.283 2.875 -4.772 1.00 0.00 H new ATOM 518 N LYS A 34 -5.752 2.493 0.327 1.00 0.00 N ATOM 519 CA LYS A 34 -6.318 2.241 1.624 1.00 0.00 C ATOM 520 C LYS A 34 -7.311 3.325 1.891 1.00 0.00 C ATOM 521 O LYS A 34 -6.952 4.467 2.140 1.00 0.00 O ATOM 522 CB LYS A 34 -5.268 2.198 2.732 1.00 0.00 C ATOM 523 CG LYS A 34 -4.296 1.034 2.671 1.00 0.00 C ATOM 524 CD LYS A 34 -5.017 -0.299 2.737 1.00 0.00 C ATOM 525 CE LYS A 34 -4.047 -1.447 2.974 1.00 0.00 C ATOM 526 NZ LYS A 34 -3.349 -1.322 4.280 1.00 0.00 N ATOM 0 H LYS A 34 -4.859 2.986 0.335 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.788 1.257 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.697 3.126 2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.781 2.169 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.717 1.090 1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.588 1.107 3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.756 -0.275 3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.560 -0.466 1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.588 -2.392 2.941 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.311 -1.473 2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.001 -2.255 4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.547 -0.668 4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.011 -0.955 4.994 1.00 0.00 H new ATOM 540 N VAL A 35 -8.529 2.987 1.785 1.00 0.00 N ATOM 541 CA VAL A 35 -9.573 3.932 1.894 1.00 0.00 C ATOM 542 C VAL A 35 -10.089 3.933 3.317 1.00 0.00 C ATOM 543 O VAL A 35 -10.429 2.874 3.870 1.00 0.00 O ATOM 544 CB VAL A 35 -10.724 3.590 0.930 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.599 4.800 0.705 1.00 0.00 C ATOM 546 CG2 VAL A 35 -10.197 3.046 -0.391 1.00 0.00 C ATOM 0 H VAL A 35 -8.842 2.031 1.617 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.187 4.917 1.632 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.328 2.807 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.408 4.542 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.018 5.128 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.003 5.605 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.034 2.814 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.560 3.793 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.619 2.140 -0.207 1.00 0.00 H new ATOM 556 N LYS A 36 -10.100 5.090 3.916 1.00 0.00 N ATOM 557 CA LYS A 36 -10.595 5.257 5.246 1.00 0.00 C ATOM 558 C LYS A 36 -11.978 5.795 5.094 1.00 0.00 C ATOM 559 O LYS A 36 -12.161 6.940 4.694 1.00 0.00 O ATOM 560 CB LYS A 36 -9.731 6.251 6.008 1.00 0.00 C ATOM 561 CG LYS A 36 -9.803 6.143 7.522 1.00 0.00 C ATOM 562 CD LYS A 36 -8.833 7.123 8.171 1.00 0.00 C ATOM 563 CE LYS A 36 -8.699 6.895 9.669 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.984 7.025 10.375 1.00 0.00 N ATOM 0 H LYS A 36 -9.761 5.951 3.487 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.582 4.319 5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.694 6.118 5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.024 7.260 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.819 6.349 7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.564 5.126 7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.854 7.026 7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.174 8.142 7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.289 5.901 9.847 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.988 7.611 10.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.809 7.200 11.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.522 7.820 9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.531 6.147 10.265 1.00 0.00 H new ATOM 578 N VAL A 37 -12.925 4.978 5.326 1.00 0.00 N ATOM 579 CA VAL A 37 -14.286 5.333 5.123 1.00 0.00 C ATOM 580 C VAL A 37 -15.055 5.303 6.401 1.00 0.00 C ATOM 581 O VAL A 37 -14.681 4.631 7.346 1.00 0.00 O ATOM 582 CB VAL A 37 -14.987 4.397 4.107 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.422 4.557 2.726 1.00 0.00 C ATOM 584 CG2 VAL A 37 -14.904 2.949 4.545 1.00 0.00 C ATOM 0 H VAL A 37 -12.785 4.027 5.668 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.274 6.347 4.724 1.00 0.00 H new ATOM 0 HB VAL A 37 -16.037 4.688 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.939 3.884 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.557 5.587 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.359 4.316 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -15.405 2.318 3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.858 2.652 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -15.389 2.834 5.514 1.00 0.00 H new ATOM 594 N LEU A 38 -16.100 6.035 6.417 1.00 0.00 N ATOM 595 CA LEU A 38 -17.030 6.040 7.499 1.00 0.00 C ATOM 596 C LEU A 38 -18.305 5.472 6.930 1.00 0.00 C ATOM 597 O LEU A 38 -18.882 6.039 5.995 1.00 0.00 O ATOM 598 CB LEU A 38 -17.192 7.490 8.062 1.00 0.00 C ATOM 599 CG LEU A 38 -18.120 7.752 9.302 1.00 0.00 C ATOM 600 CD1 LEU A 38 -19.606 7.520 9.012 1.00 0.00 C ATOM 601 CD2 LEU A 38 -17.684 6.929 10.500 1.00 0.00 C ATOM 0 H LEU A 38 -16.349 6.670 5.659 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.704 5.441 8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.196 7.851 8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.556 8.115 7.247 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.007 8.811 9.535 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -20.188 7.719 9.912 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -19.930 8.189 8.215 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.759 6.486 8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.346 7.133 11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.731 5.869 10.250 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.662 7.193 10.770 1.00 0.00 H new ATOM 613 N LEU A 39 -18.696 4.324 7.424 1.00 0.00 N ATOM 614 CA LEU A 39 -19.875 3.642 6.942 1.00 0.00 C ATOM 615 C LEU A 39 -21.082 4.441 7.353 1.00 0.00 C ATOM 616 O LEU A 39 -21.367 4.536 8.523 1.00 0.00 O ATOM 617 CB LEU A 39 -19.989 2.219 7.537 1.00 0.00 C ATOM 618 CG LEU A 39 -18.749 1.312 7.458 1.00 0.00 C ATOM 619 CD1 LEU A 39 -19.068 -0.094 7.927 1.00 0.00 C ATOM 620 CD2 LEU A 39 -18.186 1.274 6.075 1.00 0.00 C ATOM 0 H LEU A 39 -18.206 3.834 8.173 1.00 0.00 H new ATOM 0 HA LEU A 39 -19.810 3.551 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -20.269 2.315 8.586 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -20.811 1.709 7.034 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.997 1.739 8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.173 -0.712 7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.411 -0.064 8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.850 -0.519 7.298 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.311 0.624 6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -18.938 0.890 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -17.897 2.280 5.772 1.00 0.00 H new ATOM 632 N LYS A 40 -21.799 5.006 6.419 1.00 0.00 N ATOM 633 CA LYS A 40 -22.910 5.854 6.799 1.00 0.00 C ATOM 634 C LYS A 40 -24.119 5.102 7.340 1.00 0.00 C ATOM 635 O LYS A 40 -24.960 5.670 8.021 1.00 0.00 O ATOM 636 CB LYS A 40 -23.242 6.948 5.765 1.00 0.00 C ATOM 637 CG LYS A 40 -23.455 6.550 4.290 1.00 0.00 C ATOM 638 CD LYS A 40 -24.723 5.763 4.055 1.00 0.00 C ATOM 639 CE LYS A 40 -25.114 5.772 2.584 1.00 0.00 C ATOM 640 NZ LYS A 40 -26.341 4.978 2.315 1.00 0.00 N ATOM 0 H LYS A 40 -21.646 4.903 5.416 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.547 6.408 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -24.147 7.454 6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -22.437 7.682 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -23.478 7.452 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -22.603 5.959 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -24.583 4.735 4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.532 6.186 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -25.273 6.801 2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.291 5.374 1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -26.916 5.460 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -26.075 4.034 1.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -26.893 4.884 3.192 1.00 0.00 H new ATOM 654 N GLN A 41 -24.181 3.833 7.049 1.00 0.00 N ATOM 655 CA GLN A 41 -25.254 2.987 7.574 1.00 0.00 C ATOM 656 C GLN A 41 -24.875 2.350 8.928 1.00 0.00 C ATOM 657 O GLN A 41 -25.745 2.046 9.750 1.00 0.00 O ATOM 658 CB GLN A 41 -25.621 1.886 6.577 1.00 0.00 C ATOM 659 CG GLN A 41 -26.067 2.383 5.218 1.00 0.00 C ATOM 660 CD GLN A 41 -27.290 3.279 5.280 1.00 0.00 C ATOM 661 OE1 GLN A 41 -27.180 4.495 5.420 1.00 0.00 O ATOM 662 NE2 GLN A 41 -28.444 2.704 5.152 1.00 0.00 N ATOM 0 H GLN A 41 -23.510 3.348 6.453 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.117 3.635 7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -24.758 1.233 6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -26.418 1.278 7.005 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -25.248 2.930 4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -26.284 1.527 4.579 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -28.500 1.692 5.037 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -29.297 3.263 5.166 1.00 0.00 H new ATOM 671 N ASP A 42 -23.581 2.161 9.160 1.00 0.00 N ATOM 672 CA ASP A 42 -23.115 1.432 10.369 1.00 0.00 C ATOM 673 C ASP A 42 -22.379 2.359 11.345 1.00 0.00 C ATOM 674 O ASP A 42 -22.040 1.974 12.447 1.00 0.00 O ATOM 675 CB ASP A 42 -22.190 0.288 9.940 1.00 0.00 C ATOM 676 CG ASP A 42 -21.899 -0.728 11.030 1.00 0.00 C ATOM 677 OD1 ASP A 42 -20.932 -0.570 11.786 1.00 0.00 O ATOM 678 OD2 ASP A 42 -22.614 -1.740 11.103 1.00 0.00 O ATOM 0 H ASP A 42 -22.835 2.490 8.548 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.989 1.037 10.888 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -22.640 -0.227 9.091 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -21.247 0.711 9.593 1.00 0.00 H new ATOM 683 N ASN A 43 -22.118 3.576 10.890 1.00 0.00 N ATOM 684 CA ASN A 43 -21.419 4.667 11.625 1.00 0.00 C ATOM 685 C ASN A 43 -19.995 4.300 12.085 1.00 0.00 C ATOM 686 O ASN A 43 -19.395 5.008 12.892 1.00 0.00 O ATOM 687 CB ASN A 43 -22.259 5.322 12.783 1.00 0.00 C ATOM 688 CG ASN A 43 -22.438 4.484 14.051 1.00 0.00 C ATOM 689 OD1 ASN A 43 -21.601 4.515 14.957 1.00 0.00 O ATOM 690 ND2 ASN A 43 -23.538 3.790 14.162 1.00 0.00 N ATOM 0 H ASN A 43 -22.395 3.863 9.951 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.309 5.443 10.867 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -21.784 6.263 13.060 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -23.247 5.566 12.393 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -23.721 3.257 15.012 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -24.214 3.781 13.399 1.00 0.00 H new ATOM 697 N THR A 44 -19.431 3.255 11.521 1.00 0.00 N ATOM 698 CA THR A 44 -18.092 2.849 11.856 1.00 0.00 C ATOM 699 C THR A 44 -17.103 3.350 10.838 1.00 0.00 C ATOM 700 O THR A 44 -17.446 3.550 9.674 1.00 0.00 O ATOM 701 CB THR A 44 -17.978 1.328 11.962 1.00 0.00 C ATOM 702 OG1 THR A 44 -18.800 0.700 10.973 1.00 0.00 O ATOM 703 CG2 THR A 44 -18.346 0.851 13.332 1.00 0.00 C ATOM 0 H THR A 44 -19.887 2.669 10.822 1.00 0.00 H new ATOM 0 HA THR A 44 -17.862 3.288 12.827 1.00 0.00 H new ATOM 0 HB THR A 44 -16.939 1.052 11.782 1.00 0.00 H new ATOM 0 HG1 THR A 44 -19.708 0.588 11.325 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.255 -0.234 13.376 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.677 1.301 14.066 1.00 0.00 H new ATOM 0 HG23 THR A 44 -19.374 1.138 13.553 1.00 0.00 H new ATOM 711 N THR A 45 -15.903 3.582 11.264 1.00 0.00 N ATOM 712 CA THR A 45 -14.878 3.984 10.364 1.00 0.00 C ATOM 713 C THR A 45 -14.058 2.744 10.046 1.00 0.00 C ATOM 714 O THR A 45 -13.872 1.875 10.910 1.00 0.00 O ATOM 715 CB THR A 45 -13.989 5.041 10.994 1.00 0.00 C ATOM 716 OG1 THR A 45 -14.806 5.935 11.759 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.276 5.844 9.921 1.00 0.00 C ATOM 0 H THR A 45 -15.610 3.498 12.238 1.00 0.00 H new ATOM 0 HA THR A 45 -15.312 4.416 9.463 1.00 0.00 H new ATOM 0 HB THR A 45 -13.250 4.549 11.627 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.242 6.621 12.172 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.643 6.597 10.390 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.660 5.178 9.317 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.012 6.334 9.284 1.00 0.00 H new ATOM 725 N GLN A 46 -13.594 2.653 8.854 1.00 0.00 N ATOM 726 CA GLN A 46 -12.900 1.491 8.396 1.00 0.00 C ATOM 727 C GLN A 46 -11.777 1.943 7.481 1.00 0.00 C ATOM 728 O GLN A 46 -11.941 2.893 6.749 1.00 0.00 O ATOM 729 CB GLN A 46 -13.899 0.632 7.611 1.00 0.00 C ATOM 730 CG GLN A 46 -13.499 -0.811 7.392 1.00 0.00 C ATOM 731 CD GLN A 46 -13.316 -1.550 8.699 1.00 0.00 C ATOM 732 OE1 GLN A 46 -12.218 -1.609 9.246 1.00 0.00 O ATOM 733 NE2 GLN A 46 -14.386 -2.077 9.226 1.00 0.00 N ATOM 0 H GLN A 46 -13.683 3.390 8.154 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.486 0.916 9.224 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.854 0.649 8.136 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -14.062 1.096 6.638 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.261 -1.312 6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.571 -0.848 6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.281 -2.007 8.741 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.328 -2.559 10.123 1.00 0.00 H new ATOM 742 N LEU A 47 -10.658 1.292 7.549 1.00 0.00 N ATOM 743 CA LEU A 47 -9.533 1.588 6.661 1.00 0.00 C ATOM 744 C LEU A 47 -9.165 0.291 5.995 1.00 0.00 C ATOM 745 O LEU A 47 -8.553 -0.591 6.614 1.00 0.00 O ATOM 746 CB LEU A 47 -8.319 2.175 7.428 1.00 0.00 C ATOM 747 CG LEU A 47 -7.066 2.593 6.583 1.00 0.00 C ATOM 748 CD1 LEU A 47 -7.332 3.810 5.693 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.865 2.860 7.480 1.00 0.00 C ATOM 0 H LEU A 47 -10.480 0.539 8.213 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.819 2.347 5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.661 3.051 7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.998 1.439 8.165 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.846 1.750 5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.430 4.054 5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.141 3.583 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.614 4.660 6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.010 3.148 6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.102 3.666 8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.622 1.957 8.041 1.00 0.00 H new ATOM 761 N VAL A 48 -9.570 0.155 4.773 1.00 0.00 N ATOM 762 CA VAL A 48 -9.416 -1.085 4.016 1.00 0.00 C ATOM 763 C VAL A 48 -8.939 -0.804 2.614 1.00 0.00 C ATOM 764 O VAL A 48 -8.767 0.340 2.235 1.00 0.00 O ATOM 765 CB VAL A 48 -10.727 -1.938 3.981 1.00 0.00 C ATOM 766 CG1 VAL A 48 -10.960 -2.627 5.321 1.00 0.00 C ATOM 767 CG2 VAL A 48 -11.927 -1.067 3.618 1.00 0.00 C ATOM 0 H VAL A 48 -10.026 0.902 4.249 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.662 -1.674 4.538 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.610 -2.705 3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -11.877 -3.214 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.119 -3.284 5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.051 -1.876 6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.829 -1.679 3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.041 -0.277 4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.770 -0.622 2.635 1.00 0.00 H new ATOM 777 N GLN A 49 -8.741 -1.833 1.853 1.00 0.00 N ATOM 778 CA GLN A 49 -8.169 -1.702 0.541 1.00 0.00 C ATOM 779 C GLN A 49 -9.223 -1.540 -0.564 1.00 0.00 C ATOM 780 O GLN A 49 -10.349 -2.024 -0.457 1.00 0.00 O ATOM 781 CB GLN A 49 -7.289 -2.907 0.258 1.00 0.00 C ATOM 782 CG GLN A 49 -8.044 -4.221 0.228 1.00 0.00 C ATOM 783 CD GLN A 49 -7.141 -5.445 0.140 1.00 0.00 C ATOM 784 OE1 GLN A 49 -6.020 -5.430 0.620 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.617 -6.509 -0.451 1.00 0.00 N ATOM 0 H GLN A 49 -8.970 -2.791 2.119 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.576 -0.787 0.533 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.789 -2.764 -0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.510 -2.963 1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.658 -4.297 1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.724 -4.220 -0.624 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.558 -6.496 -0.844 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.048 -7.353 -0.519 1.00 0.00 H new ATOM 794 N ASP A 50 -8.786 -0.907 -1.645 1.00 0.00 N ATOM 795 CA ASP A 50 -9.571 -0.636 -2.896 1.00 0.00 C ATOM 796 C ASP A 50 -10.152 -1.911 -3.475 1.00 0.00 C ATOM 797 O ASP A 50 -11.212 -1.922 -4.070 1.00 0.00 O ATOM 798 CB ASP A 50 -8.640 0.013 -3.944 1.00 0.00 C ATOM 799 CG ASP A 50 -9.223 0.053 -5.356 1.00 0.00 C ATOM 800 OD1 ASP A 50 -9.945 0.993 -5.689 1.00 0.00 O ATOM 801 OD2 ASP A 50 -8.929 -0.859 -6.158 1.00 0.00 O ATOM 0 H ASP A 50 -7.835 -0.542 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.395 0.032 -2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.409 1.031 -3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.698 -0.535 -3.967 1.00 0.00 H new ATOM 806 N ASP A 51 -9.466 -2.975 -3.212 1.00 0.00 N ATOM 807 CA ASP A 51 -9.799 -4.310 -3.689 1.00 0.00 C ATOM 808 C ASP A 51 -11.148 -4.735 -3.103 1.00 0.00 C ATOM 809 O ASP A 51 -11.917 -5.464 -3.723 1.00 0.00 O ATOM 810 CB ASP A 51 -8.665 -5.255 -3.253 1.00 0.00 C ATOM 811 CG ASP A 51 -8.845 -6.715 -3.593 1.00 0.00 C ATOM 812 OD1 ASP A 51 -9.580 -7.414 -2.870 1.00 0.00 O ATOM 813 OD2 ASP A 51 -8.167 -7.195 -4.515 1.00 0.00 O ATOM 0 H ASP A 51 -8.623 -2.955 -2.638 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.891 -4.338 -4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.737 -4.909 -3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.542 -5.167 -2.173 1.00 0.00 H new ATOM 818 N GLN A 52 -11.458 -4.192 -1.935 1.00 0.00 N ATOM 819 CA GLN A 52 -12.691 -4.493 -1.236 1.00 0.00 C ATOM 820 C GLN A 52 -13.646 -3.308 -1.280 1.00 0.00 C ATOM 821 O GLN A 52 -14.801 -3.415 -0.880 1.00 0.00 O ATOM 822 CB GLN A 52 -12.376 -4.847 0.202 1.00 0.00 C ATOM 823 CG GLN A 52 -11.448 -6.023 0.309 1.00 0.00 C ATOM 824 CD GLN A 52 -11.074 -6.372 1.728 1.00 0.00 C ATOM 825 OE1 GLN A 52 -11.830 -6.138 2.671 1.00 0.00 O ATOM 826 NE2 GLN A 52 -9.934 -6.970 1.888 1.00 0.00 N ATOM 0 H GLN A 52 -10.857 -3.528 -1.447 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.175 -5.337 -1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -11.926 -3.986 0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.303 -5.069 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.918 -6.889 -0.157 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.540 -5.811 -0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.334 -7.147 1.083 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.638 -7.263 2.819 1.00 0.00 H new ATOM 835 N VAL A 53 -13.156 -2.184 -1.743 1.00 0.00 N ATOM 836 CA VAL A 53 -13.982 -0.976 -1.835 1.00 0.00 C ATOM 837 C VAL A 53 -14.486 -0.747 -3.253 1.00 0.00 C ATOM 838 O VAL A 53 -13.718 -0.760 -4.212 1.00 0.00 O ATOM 839 CB VAL A 53 -13.238 0.290 -1.331 1.00 0.00 C ATOM 840 CG1 VAL A 53 -14.110 1.535 -1.467 1.00 0.00 C ATOM 841 CG2 VAL A 53 -12.842 0.106 0.108 1.00 0.00 C ATOM 0 H VAL A 53 -12.195 -2.067 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.837 -1.147 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.348 0.428 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.561 2.405 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.374 1.682 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.018 1.409 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.320 0.996 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.734 -0.053 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.184 -0.759 0.197 1.00 0.00 H new ATOM 851 N LYS A 54 -15.768 -0.580 -3.384 1.00 0.00 N ATOM 852 CA LYS A 54 -16.379 -0.315 -4.663 1.00 0.00 C ATOM 853 C LYS A 54 -16.826 1.137 -4.767 1.00 0.00 C ATOM 854 O LYS A 54 -17.578 1.627 -3.918 1.00 0.00 O ATOM 855 CB LYS A 54 -17.581 -1.181 -4.825 1.00 0.00 C ATOM 856 CG LYS A 54 -17.307 -2.652 -4.811 1.00 0.00 C ATOM 857 CD LYS A 54 -18.609 -3.349 -4.783 1.00 0.00 C ATOM 858 CE LYS A 54 -18.472 -4.856 -4.905 1.00 0.00 C ATOM 859 NZ LYS A 54 -19.791 -5.524 -4.972 1.00 0.00 N ATOM 0 H LYS A 54 -16.427 -0.623 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.641 -0.521 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.287 -0.950 -4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.069 -0.927 -5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.736 -2.943 -5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.709 -2.922 -3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -19.124 -3.110 -3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -19.232 -2.978 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.896 -5.098 -5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.913 -5.240 -4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.656 -6.552 -5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -20.331 -5.314 -4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -20.315 -5.176 -5.800 1.00 0.00 H new ATOM 873 N GLY A 55 -16.404 1.790 -5.804 1.00 0.00 N ATOM 874 CA GLY A 55 -16.779 3.172 -6.042 1.00 0.00 C ATOM 875 C GLY A 55 -15.569 4.078 -6.248 1.00 0.00 C ATOM 876 O GLY A 55 -14.440 3.581 -6.342 1.00 0.00 O ATOM 0 H GLY A 55 -15.791 1.392 -6.515 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.422 3.225 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.363 3.537 -5.197 1.00 0.00 H new ATOM 880 N PRO A 56 -15.770 5.413 -6.342 1.00 0.00 N ATOM 881 CA PRO A 56 -14.682 6.380 -6.539 1.00 0.00 C ATOM 882 C PRO A 56 -13.994 6.743 -5.241 1.00 0.00 C ATOM 883 O PRO A 56 -14.644 7.019 -4.228 1.00 0.00 O ATOM 884 CB PRO A 56 -15.377 7.631 -7.071 1.00 0.00 C ATOM 885 CG PRO A 56 -16.837 7.294 -7.161 1.00 0.00 C ATOM 886 CD PRO A 56 -17.063 6.089 -6.278 1.00 0.00 C ATOM 0 HA PRO A 56 -13.920 5.968 -7.200 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.214 8.479 -6.406 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.981 7.910 -8.047 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.448 8.134 -6.832 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.121 7.077 -8.191 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.323 6.374 -5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -17.871 5.458 -6.649 1.00 0.00 H new ATOM 894 N LEU A 57 -12.708 6.826 -5.276 1.00 0.00 N ATOM 895 CA LEU A 57 -11.965 7.110 -4.083 1.00 0.00 C ATOM 896 C LEU A 57 -11.733 8.581 -3.948 1.00 0.00 C ATOM 897 O LEU A 57 -10.717 9.120 -4.386 1.00 0.00 O ATOM 898 CB LEU A 57 -10.656 6.298 -3.976 1.00 0.00 C ATOM 899 CG LEU A 57 -10.809 4.762 -3.985 1.00 0.00 C ATOM 900 CD1 LEU A 57 -11.957 4.326 -3.092 1.00 0.00 C ATOM 901 CD2 LEU A 57 -10.975 4.216 -5.392 1.00 0.00 C ATOM 0 H LEU A 57 -12.143 6.702 -6.116 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.573 6.784 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.006 6.583 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.147 6.587 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.886 4.343 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.044 3.240 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.767 4.653 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.885 4.772 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.079 3.132 -5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.865 4.649 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.100 4.474 -5.988 1.00 0.00 H new ATOM 913 N ARG A 58 -12.732 9.232 -3.419 1.00 0.00 N ATOM 914 CA ARG A 58 -12.697 10.665 -3.181 1.00 0.00 C ATOM 915 C ARG A 58 -13.231 10.964 -1.825 1.00 0.00 C ATOM 916 O ARG A 58 -14.259 10.427 -1.438 1.00 0.00 O ATOM 917 CB ARG A 58 -13.493 11.443 -4.232 1.00 0.00 C ATOM 918 CG ARG A 58 -12.953 11.336 -5.637 1.00 0.00 C ATOM 919 CD ARG A 58 -13.742 12.197 -6.604 1.00 0.00 C ATOM 920 NE ARG A 58 -13.699 13.628 -6.246 1.00 0.00 N ATOM 921 CZ ARG A 58 -13.341 14.615 -7.083 1.00 0.00 C ATOM 922 NH1 ARG A 58 -12.897 14.328 -8.309 1.00 0.00 N ATOM 923 NH2 ARG A 58 -13.416 15.883 -6.687 1.00 0.00 N ATOM 0 H ARG A 58 -13.605 8.787 -3.135 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.657 10.984 -3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.523 11.087 -4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.517 12.494 -3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.906 11.639 -5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.988 10.296 -5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.346 12.065 -7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.779 11.861 -6.623 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.960 13.886 -5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.829 13.357 -8.612 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.626 15.080 -8.942 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.745 16.105 -5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.144 16.633 -7.323 1.00 0.00 H new ATOM 937 N VAL A 59 -12.534 11.801 -1.088 1.00 0.00 N ATOM 938 CA VAL A 59 -12.961 12.161 0.249 1.00 0.00 C ATOM 939 C VAL A 59 -14.293 12.890 0.169 1.00 0.00 C ATOM 940 O VAL A 59 -14.423 13.908 -0.515 1.00 0.00 O ATOM 941 CB VAL A 59 -11.914 13.025 0.994 1.00 0.00 C ATOM 942 CG1 VAL A 59 -12.312 13.212 2.449 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.552 12.381 0.920 1.00 0.00 C ATOM 0 H VAL A 59 -11.668 12.246 -1.391 1.00 0.00 H new ATOM 0 HA VAL A 59 -13.071 11.242 0.825 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.874 14.001 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.564 13.822 2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.281 13.709 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.377 12.239 2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.827 13.001 1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.591 11.394 1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.252 12.282 -0.123 1.00 0.00 H new ATOM 953 N GLY A 60 -15.271 12.337 0.823 1.00 0.00 N ATOM 954 CA GLY A 60 -16.598 12.876 0.778 1.00 0.00 C ATOM 955 C GLY A 60 -17.478 12.180 -0.253 1.00 0.00 C ATOM 956 O GLY A 60 -18.612 12.610 -0.496 1.00 0.00 O ATOM 0 H GLY A 60 -15.172 11.502 1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.057 12.785 1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.546 13.940 0.547 1.00 0.00 H new ATOM 960 N ALA A 61 -16.972 11.123 -0.877 1.00 0.00 N ATOM 961 CA ALA A 61 -17.762 10.411 -1.884 1.00 0.00 C ATOM 962 C ALA A 61 -18.433 9.188 -1.298 1.00 0.00 C ATOM 963 O ALA A 61 -18.058 8.728 -0.213 1.00 0.00 O ATOM 964 CB ALA A 61 -16.927 10.045 -3.107 1.00 0.00 C ATOM 0 H ALA A 61 -16.040 10.743 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.544 11.094 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.551 9.518 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.532 10.953 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.101 9.402 -2.804 1.00 0.00 H new ATOM 970 N ILE A 62 -19.407 8.670 -2.012 1.00 0.00 N ATOM 971 CA ILE A 62 -20.139 7.495 -1.598 1.00 0.00 C ATOM 972 C ILE A 62 -19.531 6.264 -2.262 1.00 0.00 C ATOM 973 O ILE A 62 -19.493 6.170 -3.501 1.00 0.00 O ATOM 974 CB ILE A 62 -21.638 7.568 -2.033 1.00 0.00 C ATOM 975 CG1 ILE A 62 -22.320 8.866 -1.554 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.412 6.339 -1.541 1.00 0.00 C ATOM 977 CD1 ILE A 62 -22.376 9.034 -0.057 1.00 0.00 C ATOM 0 H ILE A 62 -19.716 9.056 -2.904 1.00 0.00 H new ATOM 0 HA ILE A 62 -20.080 7.438 -0.511 1.00 0.00 H new ATOM 0 HB ILE A 62 -21.653 7.576 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.791 9.717 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -23.336 8.892 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.453 6.414 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -21.969 5.437 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.365 6.291 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -22.872 9.974 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -22.933 8.206 0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -21.363 9.044 0.346 1.00 0.00 H new ATOM 989 N VAL A 63 -19.040 5.361 -1.465 1.00 0.00 N ATOM 990 CA VAL A 63 -18.555 4.094 -1.939 1.00 0.00 C ATOM 991 C VAL A 63 -19.240 3.003 -1.182 1.00 0.00 C ATOM 992 O VAL A 63 -20.014 3.267 -0.274 1.00 0.00 O ATOM 993 CB VAL A 63 -17.026 3.920 -1.774 1.00 0.00 C ATOM 994 CG1 VAL A 63 -16.281 4.817 -2.721 1.00 0.00 C ATOM 995 CG2 VAL A 63 -16.595 4.170 -0.330 1.00 0.00 C ATOM 0 H VAL A 63 -18.963 5.483 -0.455 1.00 0.00 H new ATOM 0 HA VAL A 63 -18.772 4.050 -3.006 1.00 0.00 H new ATOM 0 HB VAL A 63 -16.778 2.888 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.208 4.677 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -16.554 4.570 -3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -16.540 5.856 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.516 4.041 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -16.862 5.186 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.099 3.462 0.328 1.00 0.00 H new ATOM 1005 N GLU A 64 -18.976 1.803 -1.554 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.498 0.662 -0.880 1.00 0.00 C ATOM 1007 C GLU A 64 -18.345 -0.226 -0.581 1.00 0.00 C ATOM 1008 O GLU A 64 -17.634 -0.648 -1.477 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.520 -0.030 -1.757 1.00 0.00 C ATOM 1010 CG GLU A 64 -21.714 0.854 -2.037 1.00 0.00 C ATOM 1011 CD GLU A 64 -22.619 0.308 -3.079 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -22.378 0.579 -4.282 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -23.608 -0.368 -2.740 1.00 0.00 O ATOM 0 H GLU A 64 -18.380 1.578 -2.351 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.006 0.937 0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -20.054 -0.319 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -20.853 -0.947 -1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -22.277 0.995 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -21.363 1.838 -2.350 1.00 0.00 H new ATOM 1020 N THR A 65 -18.145 -0.490 0.643 1.00 0.00 N ATOM 1021 CA THR A 65 -17.009 -1.236 1.046 1.00 0.00 C ATOM 1022 C THR A 65 -17.436 -2.508 1.706 1.00 0.00 C ATOM 1023 O THR A 65 -18.583 -2.635 2.164 1.00 0.00 O ATOM 1024 CB THR A 65 -16.098 -0.413 1.985 1.00 0.00 C ATOM 1025 OG1 THR A 65 -14.944 -1.164 2.375 1.00 0.00 O ATOM 1026 CG2 THR A 65 -16.854 0.008 3.208 1.00 0.00 C ATOM 0 H THR A 65 -18.759 -0.199 1.404 1.00 0.00 H new ATOM 0 HA THR A 65 -16.429 -1.478 0.155 1.00 0.00 H new ATOM 0 HB THR A 65 -15.771 0.471 1.437 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.930 -1.259 3.350 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.199 0.587 3.859 1.00 0.00 H new ATOM 0 HG22 THR A 65 -17.707 0.620 2.916 1.00 0.00 H new ATOM 0 HG23 THR A 65 -17.206 -0.876 3.740 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.545 -3.433 1.722 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.764 -4.704 2.300 1.00 0.00 C ATOM 1036 C ARG A 66 -16.677 -4.617 3.820 1.00 0.00 C ATOM 1037 O ARG A 66 -15.845 -3.880 4.367 1.00 0.00 O ATOM 1038 CB ARG A 66 -15.704 -5.663 1.795 1.00 0.00 C ATOM 1039 CG ARG A 66 -15.957 -7.104 2.162 1.00 0.00 C ATOM 1040 CD ARG A 66 -14.824 -8.000 1.712 1.00 0.00 C ATOM 1041 NE ARG A 66 -14.641 -7.984 0.251 1.00 0.00 N ATOM 1042 CZ ARG A 66 -13.661 -8.631 -0.396 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -12.797 -9.380 0.284 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -13.549 -8.534 -1.715 1.00 0.00 N ATOM 0 H ARG A 66 -15.615 -3.320 1.320 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.757 -5.057 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.641 -5.581 0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.736 -5.361 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.082 -7.189 3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.889 -7.438 1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.900 -7.682 2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.020 -9.021 2.040 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.304 -7.445 -0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.880 -9.462 1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.051 -9.872 -0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.211 -7.965 -2.243 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.801 -9.029 -2.201 1.00 0.00 H new ATOM 1058 N THR A 67 -17.558 -5.314 4.474 1.00 0.00 N ATOM 1059 CA THR A 67 -17.527 -5.484 5.886 1.00 0.00 C ATOM 1060 C THR A 67 -16.778 -6.794 6.181 1.00 0.00 C ATOM 1061 O THR A 67 -16.492 -7.555 5.241 1.00 0.00 O ATOM 1062 CB THR A 67 -18.969 -5.503 6.450 1.00 0.00 C ATOM 1063 OG1 THR A 67 -19.798 -6.375 5.656 1.00 0.00 O ATOM 1064 CG2 THR A 67 -19.561 -4.101 6.441 1.00 0.00 C ATOM 0 H THR A 67 -18.338 -5.791 4.022 1.00 0.00 H new ATOM 0 HA THR A 67 -17.009 -4.656 6.371 1.00 0.00 H new ATOM 0 HB THR A 67 -18.932 -5.869 7.476 1.00 0.00 H new ATOM 0 HG1 THR A 67 -20.093 -7.133 6.202 1.00 0.00 H new ATOM 0 HG21 THR A 67 -20.575 -4.132 6.840 1.00 0.00 H new ATOM 0 HG22 THR A 67 -18.948 -3.443 7.057 1.00 0.00 H new ATOM 0 HG23 THR A 67 -19.585 -3.723 5.419 1.00 0.00 H new ATOM 1072 N SER A 68 -16.483 -7.074 7.442 1.00 0.00 N ATOM 1073 CA SER A 68 -15.677 -8.243 7.824 1.00 0.00 C ATOM 1074 C SER A 68 -16.264 -9.572 7.289 1.00 0.00 C ATOM 1075 O SER A 68 -15.527 -10.476 6.901 1.00 0.00 O ATOM 1076 CB SER A 68 -15.597 -8.312 9.333 1.00 0.00 C ATOM 1077 OG SER A 68 -15.319 -7.024 9.893 1.00 0.00 O ATOM 0 H SER A 68 -16.790 -6.506 8.232 1.00 0.00 H new ATOM 0 HA SER A 68 -14.689 -8.120 7.381 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.537 -8.691 9.733 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.819 -9.016 9.627 1.00 0.00 H new ATOM 0 HG SER A 68 -15.274 -7.095 10.869 1.00 0.00 H new ATOM 1083 N ASP A 69 -17.584 -9.645 7.229 1.00 0.00 N ATOM 1084 CA ASP A 69 -18.291 -10.868 6.828 1.00 0.00 C ATOM 1085 C ASP A 69 -18.375 -11.020 5.312 1.00 0.00 C ATOM 1086 O ASP A 69 -18.870 -12.032 4.812 1.00 0.00 O ATOM 1087 CB ASP A 69 -19.702 -10.902 7.423 1.00 0.00 C ATOM 1088 CG ASP A 69 -20.634 -9.876 6.813 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -20.299 -8.668 6.812 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -21.714 -10.255 6.318 1.00 0.00 O ATOM 0 H ASP A 69 -18.201 -8.865 7.455 1.00 0.00 H new ATOM 0 HA ASP A 69 -17.710 -11.703 7.218 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.125 -11.897 7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -19.640 -10.733 8.498 1.00 0.00 H new ATOM 1095 N GLY A 70 -17.917 -10.033 4.585 1.00 0.00 N ATOM 1096 CA GLY A 70 -17.912 -10.142 3.144 1.00 0.00 C ATOM 1097 C GLY A 70 -19.079 -9.441 2.482 1.00 0.00 C ATOM 1098 O GLY A 70 -19.249 -9.525 1.257 1.00 0.00 O ATOM 0 H GLY A 70 -17.548 -9.158 4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.982 -9.724 2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.927 -11.196 2.867 1.00 0.00 H new ATOM 1102 N SER A 71 -19.883 -8.772 3.263 1.00 0.00 N ATOM 1103 CA SER A 71 -20.983 -8.010 2.734 1.00 0.00 C ATOM 1104 C SER A 71 -20.503 -6.604 2.379 1.00 0.00 C ATOM 1105 O SER A 71 -19.385 -6.240 2.713 1.00 0.00 O ATOM 1106 CB SER A 71 -22.130 -7.990 3.739 1.00 0.00 C ATOM 1107 OG SER A 71 -22.580 -9.323 3.991 1.00 0.00 O ATOM 0 H SER A 71 -19.796 -8.739 4.279 1.00 0.00 H new ATOM 0 HA SER A 71 -21.358 -8.474 1.822 1.00 0.00 H new ATOM 0 HB2 SER A 71 -21.802 -7.526 4.669 1.00 0.00 H new ATOM 0 HB3 SER A 71 -22.952 -7.386 3.354 1.00 0.00 H new ATOM 0 HG SER A 71 -22.197 -9.644 4.834 1.00 0.00 H new ATOM 1113 N PHE A 72 -21.304 -5.841 1.679 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.910 -4.507 1.290 1.00 0.00 C ATOM 1115 C PHE A 72 -21.892 -3.484 1.821 1.00 0.00 C ATOM 1116 O PHE A 72 -23.114 -3.716 1.841 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.737 -4.394 -0.233 1.00 0.00 C ATOM 1118 CG PHE A 72 -19.588 -5.213 -0.785 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -19.736 -6.566 -1.049 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -18.359 -4.626 -1.026 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -18.684 -7.312 -1.540 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -17.303 -5.369 -1.516 1.00 0.00 C ATOM 1123 CZ PHE A 72 -17.464 -6.713 -1.773 1.00 0.00 C ATOM 0 H PHE A 72 -22.234 -6.119 1.366 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.938 -4.297 1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.661 -4.710 -0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.582 -3.347 -0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -20.688 -7.043 -0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -18.223 -3.573 -0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.816 -8.365 -1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -16.349 -4.896 -1.698 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.638 -7.295 -2.155 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.374 -2.382 2.276 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.172 -1.349 2.869 1.00 0.00 C ATOM 1135 C GLN A 73 -21.646 0.003 2.433 1.00 0.00 C ATOM 1136 O GLN A 73 -20.429 0.171 2.250 1.00 0.00 O ATOM 1137 CB GLN A 73 -22.137 -1.527 4.385 1.00 0.00 C ATOM 1138 CG GLN A 73 -23.024 -0.605 5.201 1.00 0.00 C ATOM 1139 CD GLN A 73 -23.113 -1.054 6.652 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -24.112 -0.827 7.319 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -22.086 -1.711 7.141 1.00 0.00 N ATOM 0 H GLN A 73 -20.376 -2.172 2.246 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.210 -1.411 2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.415 -2.556 4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -21.108 -1.393 4.719 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -22.632 0.411 5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -24.023 -0.580 4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -21.267 -1.884 6.558 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -22.108 -2.048 8.103 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.552 0.942 2.229 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.191 2.265 1.745 1.00 0.00 C ATOM 1152 C GLU A 74 -21.429 3.037 2.799 1.00 0.00 C ATOM 1153 O GLU A 74 -21.745 2.972 4.011 1.00 0.00 O ATOM 1154 CB GLU A 74 -23.394 3.109 1.326 1.00 0.00 C ATOM 1155 CG GLU A 74 -24.437 2.427 0.474 1.00 0.00 C ATOM 1156 CD GLU A 74 -25.409 1.651 1.309 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -26.282 2.283 1.935 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -25.300 0.407 1.381 1.00 0.00 O ATOM 0 H GLU A 74 -23.551 0.813 2.392 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.572 2.087 0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -23.881 3.479 2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.026 3.979 0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -24.974 3.173 -0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -23.949 1.757 -0.234 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.475 3.779 2.349 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.621 4.530 3.200 1.00 0.00 C ATOM 1167 C ALA A 75 -19.159 5.794 2.518 1.00 0.00 C ATOM 1168 O ALA A 75 -19.298 5.932 1.301 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.438 3.689 3.570 1.00 0.00 C ATOM 0 H ALA A 75 -20.264 3.882 1.356 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.173 4.811 4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.777 4.258 4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.777 2.792 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.898 3.404 2.667 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.632 6.706 3.298 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.094 7.960 2.775 1.00 0.00 C ATOM 1177 C ILE A 76 -16.597 7.896 2.938 1.00 0.00 C ATOM 1178 O ILE A 76 -16.125 7.457 3.988 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.525 9.212 3.602 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -19.964 9.120 4.144 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.355 10.477 2.763 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -21.032 9.046 3.086 1.00 0.00 C ATOM 0 H ILE A 76 -18.559 6.611 4.311 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.453 8.061 1.751 1.00 0.00 H new ATOM 0 HB ILE A 76 -17.870 9.252 4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.042 8.239 4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.156 9.988 4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.658 11.345 3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.310 10.583 2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.975 10.407 1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -22.011 8.984 3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.988 9.938 2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.872 8.162 2.468 1.00 0.00 H new ATOM 1194 N ILE A 77 -15.847 8.315 1.950 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.398 8.364 2.106 1.00 0.00 C ATOM 1196 C ILE A 77 -14.049 9.515 3.025 1.00 0.00 C ATOM 1197 O ILE A 77 -14.444 10.641 2.778 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.590 8.519 0.768 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -13.815 7.368 -0.202 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.098 8.667 1.024 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -15.131 7.398 -0.889 1.00 0.00 C ATOM 0 H ILE A 77 -16.197 8.623 1.043 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.107 7.398 2.518 1.00 0.00 H new ATOM 0 HB ILE A 77 -13.973 9.430 0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -13.025 7.381 -0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.723 6.427 0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.574 8.772 0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.920 9.551 1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.729 7.784 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.210 6.544 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.929 7.352 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.221 8.321 -1.462 1.00 0.00 H new ATOM 1213 N SER A 78 -13.370 9.220 4.081 1.00 0.00 N ATOM 1214 CA SER A 78 -12.945 10.208 5.030 1.00 0.00 C ATOM 1215 C SER A 78 -11.446 10.497 4.846 1.00 0.00 C ATOM 1216 O SER A 78 -10.946 11.548 5.250 1.00 0.00 O ATOM 1217 CB SER A 78 -13.219 9.670 6.422 1.00 0.00 C ATOM 1218 OG SER A 78 -14.577 9.247 6.528 1.00 0.00 O ATOM 0 H SER A 78 -13.086 8.270 4.319 1.00 0.00 H new ATOM 0 HA SER A 78 -13.488 11.141 4.881 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.552 8.834 6.634 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.011 10.440 7.165 1.00 0.00 H new ATOM 0 HG SER A 78 -14.883 9.357 7.453 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.755 9.565 4.204 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.326 9.659 3.953 1.00 0.00 C ATOM 1226 C LYS A 79 -8.971 8.568 2.971 1.00 0.00 C ATOM 1227 O LYS A 79 -9.700 7.586 2.853 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.518 9.403 5.254 1.00 0.00 C ATOM 1229 CG LYS A 79 -7.151 10.088 5.297 1.00 0.00 C ATOM 1230 CD LYS A 79 -7.318 11.604 5.321 1.00 0.00 C ATOM 1231 CE LYS A 79 -5.991 12.340 5.442 1.00 0.00 C ATOM 1232 NZ LYS A 79 -6.185 13.811 5.540 1.00 0.00 N ATOM 0 H LYS A 79 -11.178 8.712 3.839 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.088 10.654 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.107 9.743 6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.376 8.329 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.601 9.762 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.562 9.794 4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.824 11.924 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.960 11.881 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.456 11.984 6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.368 12.112 4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.260 14.279 5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.673 14.154 4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.758 14.030 6.379 1.00 0.00 H new ATOM 1246 N LEU A 80 -7.905 8.734 2.259 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.394 7.688 1.423 1.00 0.00 C ATOM 1248 C LEU A 80 -5.895 7.689 1.554 1.00 0.00 C ATOM 1249 O LEU A 80 -5.292 8.745 1.697 1.00 0.00 O ATOM 1250 CB LEU A 80 -7.915 7.740 -0.069 1.00 0.00 C ATOM 1251 CG LEU A 80 -7.540 8.922 -1.020 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -7.897 10.283 -0.459 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -6.090 8.863 -1.491 1.00 0.00 C ATOM 0 H LEU A 80 -7.361 9.597 2.238 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.783 6.729 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.580 6.823 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.003 7.699 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.165 8.786 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.609 11.057 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.972 10.334 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.368 10.439 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.886 9.708 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.425 8.906 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.921 7.933 -2.033 1.00 0.00 H new ATOM 1265 N THR A 81 -5.323 6.542 1.611 1.00 0.00 N ATOM 1266 CA THR A 81 -3.924 6.391 1.811 1.00 0.00 C ATOM 1267 C THR A 81 -3.308 5.549 0.684 1.00 0.00 C ATOM 1268 O THR A 81 -3.811 4.467 0.346 1.00 0.00 O ATOM 1269 CB THR A 81 -3.691 5.758 3.206 1.00 0.00 C ATOM 1270 OG1 THR A 81 -4.273 6.608 4.206 1.00 0.00 O ATOM 1271 CG2 THR A 81 -2.223 5.554 3.525 1.00 0.00 C ATOM 0 H THR A 81 -5.825 5.659 1.518 1.00 0.00 H new ATOM 0 HA THR A 81 -3.430 7.362 1.782 1.00 0.00 H new ATOM 0 HB THR A 81 -4.160 4.774 3.198 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.132 6.214 5.092 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.124 5.108 4.515 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.778 4.892 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.710 6.516 3.508 1.00 0.00 H new ATOM 1301 N SER A 84 0.368 0.236 -2.254 1.00 0.00 N ATOM 1302 CA SER A 84 0.564 -0.725 -3.266 1.00 0.00 C ATOM 1303 C SER A 84 1.405 -1.780 -2.645 1.00 0.00 C ATOM 1304 O SER A 84 2.418 -1.469 -2.011 1.00 0.00 O ATOM 1305 CB SER A 84 1.255 -0.146 -4.497 1.00 0.00 C ATOM 1306 OG SER A 84 0.502 0.884 -5.111 1.00 0.00 O ATOM 0 HA SER A 84 -0.392 -1.106 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.232 0.244 -4.211 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.430 -0.943 -5.220 1.00 0.00 H new ATOM 0 HG SER A 84 0.031 1.399 -4.423 1.00 0.00 H new ATOM 1312 N TRP A 85 0.976 -2.983 -2.736 1.00 0.00 N ATOM 1313 CA TRP A 85 1.704 -4.039 -2.166 1.00 0.00 C ATOM 1314 C TRP A 85 2.533 -4.702 -3.180 1.00 0.00 C ATOM 1315 O TRP A 85 2.027 -5.238 -4.181 1.00 0.00 O ATOM 1316 CB TRP A 85 0.839 -5.032 -1.407 1.00 0.00 C ATOM 1317 CG TRP A 85 0.361 -4.526 -0.075 1.00 0.00 C ATOM 1318 CD1 TRP A 85 -0.909 -4.540 0.386 1.00 0.00 C ATOM 1319 CD2 TRP A 85 1.160 -3.931 0.974 1.00 0.00 C ATOM 1320 NE1 TRP A 85 -0.960 -4.001 1.642 1.00 0.00 N ATOM 1321 CE2 TRP A 85 0.290 -3.619 2.023 1.00 0.00 C ATOM 1322 CE3 TRP A 85 2.521 -3.633 1.123 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 0.726 -3.029 3.209 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 2.951 -3.049 2.297 1.00 0.00 C ATOM 1325 CH2 TRP A 85 2.056 -2.750 3.325 1.00 0.00 C ATOM 0 H TRP A 85 0.114 -3.257 -3.207 1.00 0.00 H new ATOM 0 HA TRP A 85 2.360 -3.597 -1.416 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -0.026 -5.289 -2.019 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.405 -5.951 -1.254 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -1.760 -4.921 -0.158 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.804 -3.901 2.206 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.222 -3.857 0.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.035 -2.801 4.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.999 -2.819 2.422 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.424 -2.289 4.230 1.00 0.00 H new ATOM 1336 N TYR A 86 3.794 -4.610 -2.970 1.00 0.00 N ATOM 1337 CA TYR A 86 4.734 -5.225 -3.797 1.00 0.00 C ATOM 1338 C TYR A 86 5.227 -6.397 -3.054 1.00 0.00 C ATOM 1339 O TYR A 86 5.962 -6.272 -2.070 1.00 0.00 O ATOM 1340 CB TYR A 86 5.878 -4.268 -4.129 1.00 0.00 C ATOM 1341 CG TYR A 86 5.373 -2.959 -4.650 1.00 0.00 C ATOM 1342 CD1 TYR A 86 5.030 -2.801 -5.975 1.00 0.00 C ATOM 1343 CD2 TYR A 86 5.198 -1.893 -3.799 1.00 0.00 C ATOM 1344 CE1 TYR A 86 4.525 -1.622 -6.435 1.00 0.00 C ATOM 1345 CE2 TYR A 86 4.708 -0.713 -4.246 1.00 0.00 C ATOM 1346 CZ TYR A 86 4.369 -0.581 -5.562 1.00 0.00 C ATOM 1347 OH TYR A 86 3.863 0.602 -6.005 1.00 0.00 O ATOM 0 H TYR A 86 4.201 -4.088 -2.194 1.00 0.00 H new ATOM 0 HA TYR A 86 4.291 -5.518 -4.749 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.479 -4.096 -3.236 1.00 0.00 H new ATOM 0 HB3 TYR A 86 6.532 -4.727 -4.871 1.00 0.00 H new ATOM 0 HD1 TYR A 86 5.164 -3.625 -6.660 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.456 -1.999 -2.756 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.252 -1.511 -7.474 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.586 0.118 -3.567 1.00 0.00 H new ATOM 0 HH TYR A 86 3.007 0.444 -6.454 1.00 0.00 H new ATOM 1357 N THR A 87 4.747 -7.509 -3.438 1.00 0.00 N ATOM 1358 CA THR A 87 5.154 -8.710 -2.883 1.00 0.00 C ATOM 1359 C THR A 87 6.450 -9.008 -3.565 1.00 0.00 C ATOM 1360 O THR A 87 6.461 -9.289 -4.743 1.00 0.00 O ATOM 1361 CB THR A 87 4.122 -9.795 -3.206 1.00 0.00 C ATOM 1362 OG1 THR A 87 2.797 -9.280 -2.942 1.00 0.00 O ATOM 1363 CG2 THR A 87 4.352 -11.013 -2.344 1.00 0.00 C ATOM 0 H THR A 87 4.041 -7.601 -4.168 1.00 0.00 H new ATOM 0 HA THR A 87 5.256 -8.669 -1.799 1.00 0.00 H new ATOM 0 HB THR A 87 4.220 -10.075 -4.255 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.131 -9.969 -3.148 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.611 -11.775 -2.585 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.351 -11.407 -2.530 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.260 -10.738 -1.293 1.00 0.00 H new ATOM 1371 N VAL A 88 7.517 -8.837 -2.882 1.00 0.00 N ATOM 1372 CA VAL A 88 8.796 -9.026 -3.461 1.00 0.00 C ATOM 1373 C VAL A 88 9.367 -10.310 -2.963 1.00 0.00 C ATOM 1374 O VAL A 88 9.233 -10.656 -1.797 1.00 0.00 O ATOM 1375 CB VAL A 88 9.755 -7.831 -3.169 1.00 0.00 C ATOM 1376 CG1 VAL A 88 9.315 -6.592 -3.912 1.00 0.00 C ATOM 1377 CG2 VAL A 88 9.794 -7.534 -1.696 1.00 0.00 C ATOM 0 H VAL A 88 7.531 -8.561 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 88 8.685 -9.071 -4.544 1.00 0.00 H new ATOM 0 HB VAL A 88 10.751 -8.116 -3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.000 -5.773 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.319 -6.790 -4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.308 -6.317 -3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.468 -6.698 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.793 -7.277 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.149 -8.412 -1.157 1.00 0.00 H new ATOM 1387 N VAL A 89 9.994 -10.993 -3.825 1.00 0.00 N ATOM 1388 CA VAL A 89 10.488 -12.287 -3.547 1.00 0.00 C ATOM 1389 C VAL A 89 11.985 -12.281 -3.513 1.00 0.00 C ATOM 1390 O VAL A 89 12.652 -11.734 -4.410 1.00 0.00 O ATOM 1391 CB VAL A 89 9.932 -13.348 -4.558 1.00 0.00 C ATOM 1392 CG1 VAL A 89 10.331 -13.059 -6.006 1.00 0.00 C ATOM 1393 CG2 VAL A 89 10.313 -14.766 -4.151 1.00 0.00 C ATOM 0 H VAL A 89 10.188 -10.667 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 89 10.132 -12.580 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 89 8.846 -13.267 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.917 -13.828 -6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.944 -12.084 -6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.418 -13.059 -6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.910 -15.473 -4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.399 -14.857 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.903 -14.984 -3.165 1.00 0.00 H new ATOM 1403 N PHE A 90 12.506 -12.838 -2.477 1.00 0.00 N ATOM 1404 CA PHE A 90 13.912 -12.966 -2.309 1.00 0.00 C ATOM 1405 C PHE A 90 14.339 -14.195 -3.068 1.00 0.00 C ATOM 1406 O PHE A 90 13.498 -15.049 -3.389 1.00 0.00 O ATOM 1407 CB PHE A 90 14.251 -13.165 -0.834 1.00 0.00 C ATOM 1408 CG PHE A 90 13.704 -12.125 0.084 1.00 0.00 C ATOM 1409 CD1 PHE A 90 14.132 -10.815 0.005 1.00 0.00 C ATOM 1410 CD2 PHE A 90 12.758 -12.465 1.034 1.00 0.00 C ATOM 1411 CE1 PHE A 90 13.627 -9.862 0.857 1.00 0.00 C ATOM 1412 CE2 PHE A 90 12.250 -11.522 1.890 1.00 0.00 C ATOM 1413 CZ PHE A 90 12.683 -10.220 1.804 1.00 0.00 C ATOM 0 H PHE A 90 11.958 -13.225 -1.708 1.00 0.00 H new ATOM 0 HA PHE A 90 14.418 -12.070 -2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 90 13.877 -14.139 -0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 90 15.335 -13.190 -0.726 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.870 -10.537 -0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.415 -13.487 1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 90 13.965 -8.839 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 90 11.513 -11.801 2.629 1.00 0.00 H new ATOM 0 HZ PHE A 90 12.286 -9.475 2.477 1.00 0.00 H new ATOM 1423 N ASP A 91 15.614 -14.332 -3.322 1.00 0.00 N ATOM 1424 CA ASP A 91 16.125 -15.522 -4.006 1.00 0.00 C ATOM 1425 C ASP A 91 16.047 -16.740 -3.094 1.00 0.00 C ATOM 1426 O ASP A 91 16.288 -17.866 -3.512 1.00 0.00 O ATOM 1427 CB ASP A 91 17.546 -15.334 -4.577 1.00 0.00 C ATOM 1428 CG ASP A 91 18.587 -14.975 -3.547 1.00 0.00 C ATOM 1429 OD1 ASP A 91 19.071 -15.864 -2.825 1.00 0.00 O ATOM 1430 OD2 ASP A 91 18.952 -13.786 -3.454 1.00 0.00 O ATOM 0 H ASP A 91 16.326 -13.645 -3.072 1.00 0.00 H new ATOM 0 HA ASP A 91 15.479 -15.689 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 91 17.849 -16.254 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 91 17.519 -14.553 -5.337 1.00 0.00 H new ATOM 1435 N ASP A 92 15.697 -16.493 -1.838 1.00 0.00 N ATOM 1436 CA ASP A 92 15.434 -17.546 -0.866 1.00 0.00 C ATOM 1437 C ASP A 92 14.104 -18.238 -1.190 1.00 0.00 C ATOM 1438 O ASP A 92 13.845 -19.349 -0.752 1.00 0.00 O ATOM 1439 CB ASP A 92 15.365 -16.948 0.545 1.00 0.00 C ATOM 1440 CG ASP A 92 15.127 -17.988 1.623 1.00 0.00 C ATOM 1441 OD1 ASP A 92 16.054 -18.776 1.911 1.00 0.00 O ATOM 1442 OD2 ASP A 92 14.025 -18.013 2.220 1.00 0.00 O ATOM 0 H ASP A 92 15.587 -15.551 -1.463 1.00 0.00 H new ATOM 0 HA ASP A 92 16.242 -18.276 -0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 92 16.296 -16.422 0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 92 14.566 -16.208 0.580 1.00 0.00 H new ATOM 1447 N GLY A 93 13.283 -17.582 -1.997 1.00 0.00 N ATOM 1448 CA GLY A 93 12.009 -18.146 -2.382 1.00 0.00 C ATOM 1449 C GLY A 93 10.869 -17.588 -1.572 1.00 0.00 C ATOM 1450 O GLY A 93 9.691 -17.810 -1.895 1.00 0.00 O ATOM 0 H GLY A 93 13.480 -16.663 -2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.831 -17.949 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.042 -19.229 -2.261 1.00 0.00 H new ATOM 1454 N ASP A 94 11.205 -16.849 -0.546 1.00 0.00 N ATOM 1455 CA ASP A 94 10.215 -16.253 0.325 1.00 0.00 C ATOM 1456 C ASP A 94 9.863 -14.898 -0.214 1.00 0.00 C ATOM 1457 O ASP A 94 10.725 -14.209 -0.784 1.00 0.00 O ATOM 1458 CB ASP A 94 10.740 -16.128 1.761 1.00 0.00 C ATOM 1459 CG ASP A 94 9.689 -15.611 2.732 1.00 0.00 C ATOM 1460 OD1 ASP A 94 8.797 -16.393 3.129 1.00 0.00 O ATOM 1461 OD2 ASP A 94 9.741 -14.433 3.125 1.00 0.00 O ATOM 0 H ASP A 94 12.170 -16.641 -0.288 1.00 0.00 H new ATOM 0 HA ASP A 94 9.332 -16.892 0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.093 -17.102 2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.599 -15.457 1.772 1.00 0.00 H new ATOM 1466 N GLU A 95 8.632 -14.519 -0.078 1.00 0.00 N ATOM 1467 CA GLU A 95 8.188 -13.269 -0.600 1.00 0.00 C ATOM 1468 C GLU A 95 7.555 -12.429 0.495 1.00 0.00 C ATOM 1469 O GLU A 95 6.739 -12.915 1.292 1.00 0.00 O ATOM 1470 CB GLU A 95 7.287 -13.497 -1.821 1.00 0.00 C ATOM 1471 CG GLU A 95 6.027 -14.282 -1.537 1.00 0.00 C ATOM 1472 CD GLU A 95 5.641 -15.189 -2.673 1.00 0.00 C ATOM 1473 OE1 GLU A 95 5.299 -14.708 -3.773 1.00 0.00 O ATOM 1474 OE2 GLU A 95 5.660 -16.420 -2.475 1.00 0.00 O ATOM 0 H GLU A 95 7.911 -15.064 0.395 1.00 0.00 H new ATOM 0 HA GLU A 95 9.039 -12.689 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.010 -12.528 -2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 95 7.860 -14.020 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.170 -14.877 -0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.210 -13.589 -1.336 1.00 0.00 H new ATOM 1481 N ARG A 96 7.965 -11.199 0.562 1.00 0.00 N ATOM 1482 CA ARG A 96 7.558 -10.295 1.599 1.00 0.00 C ATOM 1483 C ARG A 96 6.765 -9.171 0.948 1.00 0.00 C ATOM 1484 O ARG A 96 7.001 -8.844 -0.206 1.00 0.00 O ATOM 1485 CB ARG A 96 8.818 -9.749 2.285 1.00 0.00 C ATOM 1486 CG ARG A 96 8.628 -9.266 3.718 1.00 0.00 C ATOM 1487 CD ARG A 96 8.226 -10.432 4.595 1.00 0.00 C ATOM 1488 NE ARG A 96 8.246 -10.137 6.025 1.00 0.00 N ATOM 1489 CZ ARG A 96 8.207 -11.083 6.969 1.00 0.00 C ATOM 1490 NH1 ARG A 96 8.028 -12.354 6.621 1.00 0.00 N ATOM 1491 NH2 ARG A 96 8.337 -10.768 8.248 1.00 0.00 N ATOM 0 H ARG A 96 8.605 -10.785 -0.116 1.00 0.00 H new ATOM 0 HA ARG A 96 6.938 -10.788 2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.580 -10.529 2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.205 -8.922 1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.551 -8.820 4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.863 -8.490 3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.223 -10.754 4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.896 -11.269 4.398 1.00 0.00 H new ATOM 0 HE ARG A 96 8.292 -9.161 6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.921 -12.603 5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.998 -13.079 7.337 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.469 -9.795 8.523 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.306 -11.499 8.959 1.00 0.00 H new ATOM 1505 N THR A 97 5.857 -8.592 1.658 1.00 0.00 N ATOM 1506 CA THR A 97 4.994 -7.592 1.098 1.00 0.00 C ATOM 1507 C THR A 97 5.447 -6.185 1.545 1.00 0.00 C ATOM 1508 O THR A 97 5.319 -5.823 2.723 1.00 0.00 O ATOM 1509 CB THR A 97 3.573 -7.873 1.574 1.00 0.00 C ATOM 1510 OG1 THR A 97 3.382 -9.303 1.608 1.00 0.00 O ATOM 1511 CG2 THR A 97 2.579 -7.294 0.613 1.00 0.00 C ATOM 0 H THR A 97 5.687 -8.794 2.643 1.00 0.00 H new ATOM 0 HA THR A 97 5.035 -7.625 0.009 1.00 0.00 H new ATOM 0 HB THR A 97 3.428 -7.428 2.558 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.473 -9.504 1.914 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.569 -7.502 0.965 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.725 -6.216 0.544 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.720 -7.742 -0.370 1.00 0.00 H new ATOM 1519 N LEU A 98 6.002 -5.427 0.620 1.00 0.00 N ATOM 1520 CA LEU A 98 6.566 -4.107 0.912 1.00 0.00 C ATOM 1521 C LEU A 98 5.868 -3.016 0.100 1.00 0.00 C ATOM 1522 O LEU A 98 5.248 -3.295 -0.928 1.00 0.00 O ATOM 1523 CB LEU A 98 8.091 -4.069 0.601 1.00 0.00 C ATOM 1524 CG LEU A 98 9.079 -4.790 1.541 1.00 0.00 C ATOM 1525 CD1 LEU A 98 9.051 -4.195 2.931 1.00 0.00 C ATOM 1526 CD2 LEU A 98 8.828 -6.270 1.607 1.00 0.00 C ATOM 0 H LEU A 98 6.079 -5.702 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 98 6.409 -3.921 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.230 -4.483 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.389 -3.021 0.557 1.00 0.00 H new ATOM 0 HG LEU A 98 10.072 -4.641 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.758 -4.726 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.327 -3.142 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.048 -4.288 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.549 -6.732 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.819 -6.452 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.934 -6.702 0.612 1.00 0.00 H new ATOM 1538 N ARG A 99 5.927 -1.799 0.602 1.00 0.00 N ATOM 1539 CA ARG A 99 5.401 -0.625 -0.084 1.00 0.00 C ATOM 1540 C ARG A 99 6.600 0.088 -0.756 1.00 0.00 C ATOM 1541 O ARG A 99 7.752 -0.251 -0.458 1.00 0.00 O ATOM 1542 CB ARG A 99 4.724 0.297 0.958 1.00 0.00 C ATOM 1543 CG ARG A 99 3.923 1.481 0.408 1.00 0.00 C ATOM 1544 CD ARG A 99 3.412 2.351 1.554 1.00 0.00 C ATOM 1545 NE ARG A 99 2.600 3.501 1.109 1.00 0.00 N ATOM 1546 CZ ARG A 99 2.833 4.782 1.451 1.00 0.00 C ATOM 1547 NH1 ARG A 99 3.969 5.124 2.024 1.00 0.00 N ATOM 1548 NH2 ARG A 99 1.944 5.718 1.163 1.00 0.00 N ATOM 0 H ARG A 99 6.346 -1.590 1.508 1.00 0.00 H new ATOM 0 HA ARG A 99 4.660 -0.892 -0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.057 -0.311 1.569 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.496 0.687 1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.549 2.075 -0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.083 1.117 -0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.816 1.736 2.228 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.263 2.719 2.127 1.00 0.00 H new ATOM 0 HE ARG A 99 1.805 3.311 0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.679 4.416 2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.138 6.097 2.280 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.080 5.470 0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.122 6.688 1.423 1.00 0.00 H new ATOM 1562 N ARG A 100 6.341 1.087 -1.623 1.00 0.00 N ATOM 1563 CA ARG A 100 7.419 1.842 -2.328 1.00 0.00 C ATOM 1564 C ARG A 100 8.413 2.481 -1.365 1.00 0.00 C ATOM 1565 O ARG A 100 9.538 2.785 -1.746 1.00 0.00 O ATOM 1566 CB ARG A 100 6.852 2.958 -3.195 1.00 0.00 C ATOM 1567 CG ARG A 100 6.050 2.519 -4.392 1.00 0.00 C ATOM 1568 CD ARG A 100 5.495 3.722 -5.128 1.00 0.00 C ATOM 1569 NE ARG A 100 6.551 4.649 -5.553 1.00 0.00 N ATOM 1570 CZ ARG A 100 6.460 5.982 -5.523 1.00 0.00 C ATOM 1571 NH1 ARG A 100 5.362 6.581 -5.048 1.00 0.00 N ATOM 1572 NH2 ARG A 100 7.483 6.696 -5.950 1.00 0.00 N ATOM 0 H ARG A 100 5.398 1.396 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 100 7.927 1.099 -2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.221 3.591 -2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 100 7.679 3.577 -3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.678 1.932 -5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.233 1.872 -4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.937 3.385 -6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.791 4.247 -4.483 1.00 0.00 H new ATOM 0 HE ARG A 100 7.422 4.244 -5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.583 6.019 -4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.304 7.599 -5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.322 6.230 -6.294 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.435 7.715 -5.936 1.00 0.00 H new ATOM 1586 N THR A 101 7.973 2.706 -0.149 1.00 0.00 N ATOM 1587 CA THR A 101 8.761 3.317 0.885 1.00 0.00 C ATOM 1588 C THR A 101 10.029 2.490 1.201 1.00 0.00 C ATOM 1589 O THR A 101 11.101 3.039 1.372 1.00 0.00 O ATOM 1590 CB THR A 101 7.893 3.420 2.146 1.00 0.00 C ATOM 1591 OG1 THR A 101 6.579 3.887 1.756 1.00 0.00 O ATOM 1592 CG2 THR A 101 8.506 4.394 3.148 1.00 0.00 C ATOM 0 H THR A 101 7.030 2.461 0.152 1.00 0.00 H new ATOM 0 HA THR A 101 9.085 4.301 0.547 1.00 0.00 H new ATOM 0 HB THR A 101 7.827 2.442 2.622 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.557 4.866 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.873 4.451 4.034 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.499 4.046 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.584 5.382 2.694 1.00 0.00 H new ATOM 1600 N SER A 102 9.900 1.181 1.212 1.00 0.00 N ATOM 1601 CA SER A 102 10.999 0.326 1.619 1.00 0.00 C ATOM 1602 C SER A 102 11.887 -0.077 0.442 1.00 0.00 C ATOM 1603 O SER A 102 12.949 -0.679 0.636 1.00 0.00 O ATOM 1604 CB SER A 102 10.427 -0.914 2.282 1.00 0.00 C ATOM 1605 OG SER A 102 9.495 -0.553 3.297 1.00 0.00 O ATOM 0 H SER A 102 9.050 0.685 0.945 1.00 0.00 H new ATOM 0 HA SER A 102 11.626 0.883 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 102 9.937 -1.539 1.536 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.233 -1.507 2.714 1.00 0.00 H new ATOM 0 HG SER A 102 9.496 -1.236 4.000 1.00 0.00 H new ATOM 1611 N LEU A 103 11.467 0.274 -0.757 1.00 0.00 N ATOM 1612 CA LEU A 103 12.155 -0.134 -1.971 1.00 0.00 C ATOM 1613 C LEU A 103 12.981 0.983 -2.537 1.00 0.00 C ATOM 1614 O LEU A 103 12.697 2.152 -2.306 1.00 0.00 O ATOM 1615 CB LEU A 103 11.174 -0.679 -3.032 1.00 0.00 C ATOM 1616 CG LEU A 103 10.734 -2.150 -2.890 1.00 0.00 C ATOM 1617 CD1 LEU A 103 10.149 -2.431 -1.544 1.00 0.00 C ATOM 1618 CD2 LEU A 103 9.733 -2.509 -3.958 1.00 0.00 C ATOM 0 H LEU A 103 10.641 0.849 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 103 12.828 -0.945 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.280 -0.055 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.634 -0.556 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 103 11.628 -2.763 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.853 -3.478 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 103 10.891 -2.222 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.276 -1.798 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.434 -3.551 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.856 -1.868 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.183 -2.368 -4.941 1.00 0.00 H new ATOM 1630 N CYS A 104 14.012 0.626 -3.264 1.00 0.00 N ATOM 1631 CA CYS A 104 14.910 1.611 -3.831 1.00 0.00 C ATOM 1632 C CYS A 104 15.268 1.338 -5.285 1.00 0.00 C ATOM 1633 O CYS A 104 16.192 1.929 -5.814 1.00 0.00 O ATOM 1634 CB CYS A 104 16.147 1.751 -2.963 1.00 0.00 C ATOM 1635 SG CYS A 104 15.777 2.356 -1.305 1.00 0.00 S ATOM 0 H CYS A 104 14.253 -0.341 -3.479 1.00 0.00 H new ATOM 0 HA CYS A 104 14.377 2.562 -3.841 1.00 0.00 H new ATOM 0 HB2 CYS A 104 16.644 0.784 -2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 104 16.848 2.433 -3.445 1.00 0.00 H new ATOM 0 HG CYS A 104 16.809 2.172 -0.536 1.00 0.00 H new