USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 410 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 38 CYS SG : rot 160:sc= -0.22 USER MOD Set 1.2: A 41 CYS SG : rot -44:sc= 0.641 USER MOD Set 1.3: A 43 LYS NZ :NH3+ -147:sc= -0.097 (180deg=0) USER MOD Set 1.4: A 59 CYS SG : rot -38:sc= -1.5! USER MOD Set 1.5: A 62 CYS SG : rot 180:sc= 0.461 USER MOD Set 1.6: A 65 LYS NZ :NH3+ -172:sc= -0.293 (180deg=-0.313) USER MOD Set 1.7: A 66 ASN : amide:sc= -0.484 K(o=-1.5,f=-2) USER MOD Set 2.1: A 11 CYS SG : rot 164:sc= 0.291 USER MOD Set 2.2: A 14 CYS SG : rot -54:sc=-0.00597 USER MOD Set 2.3: A 32 HIS : no HD1:sc= -6.85! C(o=-7!,f=-13!) USER MOD Set 2.4: A 35 CYS SG : rot -100:sc= -0.451 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.213 F(o=-0.81,f=-0.21) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 92:sc= 0.302 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 142:sc= 0.0442 (180deg=-0.0509) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 53:sc= 0.0115 USER MOD Single : A 49 THR OG1 : rot -72:sc= 0.556 USER MOD Single : A 53 LYS NZ :NH3+ -109:sc= 0.105 (180deg=-0.121) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 122 N GLY A 10 -14.535 -3.130 -10.357 1.00 0.00 N ATOM 123 CA GLY A 10 -13.556 -3.928 -11.090 1.00 0.00 C ATOM 124 C GLY A 10 -12.140 -3.452 -10.779 1.00 0.00 C ATOM 125 O GLY A 10 -11.939 -2.590 -9.924 1.00 0.00 O ATOM 0 HA2 GLY A 10 -13.660 -4.979 -10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.745 -3.853 -12.161 1.00 0.00 H new ATOM 129 N CYS A 11 -11.161 -4.147 -11.354 1.00 0.00 N ATOM 130 CA CYS A 11 -9.783 -4.072 -10.884 1.00 0.00 C ATOM 131 C CYS A 11 -8.863 -3.647 -12.049 1.00 0.00 C ATOM 132 O CYS A 11 -8.340 -4.495 -12.794 1.00 0.00 O ATOM 133 CB CYS A 11 -9.328 -5.401 -10.294 1.00 0.00 C ATOM 134 SG CYS A 11 -7.875 -5.292 -9.222 1.00 0.00 S ATOM 0 H CYS A 11 -11.299 -4.770 -12.149 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.725 -3.326 -10.091 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -10.152 -5.832 -9.725 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.110 -6.090 -11.110 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.777 -6.376 -8.512 1.00 0.00 H new ATOM 139 N PRO A 12 -8.480 -2.355 -12.034 1.00 0.00 N ATOM 140 CA PRO A 12 -7.388 -1.830 -12.893 1.00 0.00 C ATOM 141 C PRO A 12 -6.039 -2.500 -12.640 1.00 0.00 C ATOM 142 O PRO A 12 -5.068 -2.245 -13.352 1.00 0.00 O ATOM 143 CB PRO A 12 -7.351 -0.323 -12.672 1.00 0.00 C ATOM 144 CG PRO A 12 -8.392 0.045 -11.656 1.00 0.00 C ATOM 145 CD PRO A 12 -8.930 -1.270 -11.112 1.00 0.00 C ATOM 0 HA PRO A 12 -7.591 -2.062 -13.939 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.363 -0.017 -12.328 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.538 0.200 -13.610 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.962 0.650 -10.858 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.189 0.635 -12.110 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.560 -1.447 -10.102 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.018 -1.244 -11.053 1.00 0.00 H new ATOM 153 N ARG A 13 -5.960 -3.218 -11.526 1.00 0.00 N ATOM 154 CA ARG A 13 -4.686 -3.699 -11.007 1.00 0.00 C ATOM 155 C ARG A 13 -4.237 -4.941 -11.771 1.00 0.00 C ATOM 156 O ARG A 13 -3.102 -5.011 -12.242 1.00 0.00 O ATOM 157 CB ARG A 13 -4.767 -4.013 -9.508 1.00 0.00 C ATOM 158 CG ARG A 13 -3.444 -3.893 -8.762 1.00 0.00 C ATOM 159 CD ARG A 13 -2.901 -2.506 -8.825 1.00 0.00 C ATOM 160 NE ARG A 13 -1.447 -2.488 -8.877 1.00 0.00 N ATOM 161 CZ ARG A 13 -0.738 -1.395 -9.170 1.00 0.00 C ATOM 162 NH1 ARG A 13 -1.320 -0.292 -9.630 1.00 0.00 N ATOM 163 NH2 ARG A 13 0.589 -1.428 -9.049 1.00 0.00 N ATOM 0 H ARG A 13 -6.768 -3.481 -10.962 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.955 -2.903 -11.146 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.491 -3.340 -9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.149 -5.026 -9.383 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.586 -4.182 -7.721 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.721 -4.587 -9.190 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.301 -2.000 -9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.239 -1.945 -7.954 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.944 -3.353 -8.680 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.331 -0.268 -9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.756 0.530 -9.846 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.051 -2.281 -8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.142 -0.600 -9.270 1.00 0.00 H new ATOM 177 N CYS A 14 -5.042 -5.995 -11.653 1.00 0.00 N ATOM 178 CA CYS A 14 -4.733 -7.268 -12.286 1.00 0.00 C ATOM 179 C CYS A 14 -5.365 -7.343 -13.672 1.00 0.00 C ATOM 180 O CYS A 14 -4.828 -7.981 -14.575 1.00 0.00 O ATOM 181 CB CYS A 14 -5.150 -8.444 -11.409 1.00 0.00 C ATOM 182 SG CYS A 14 -6.884 -8.437 -10.898 1.00 0.00 S ATOM 0 H CYS A 14 -5.914 -5.989 -11.123 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.652 -7.334 -12.408 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.949 -9.370 -11.949 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.524 -8.453 -10.517 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.161 -7.307 -10.318 1.00 0.00 H new ATOM 187 N GLY A 15 -6.424 -6.563 -13.857 1.00 0.00 N ATOM 188 CA GLY A 15 -7.061 -6.421 -15.157 1.00 0.00 C ATOM 189 C GLY A 15 -8.543 -6.772 -15.067 1.00 0.00 C ATOM 190 O GLY A 15 -9.344 -6.346 -15.897 1.00 0.00 O ATOM 0 H GLY A 15 -6.861 -6.016 -13.115 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.945 -5.398 -15.516 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.571 -7.071 -15.882 1.00 0.00 H new ATOM 194 N GLN A 16 -8.859 -7.667 -14.137 1.00 0.00 N ATOM 195 CA GLN A 16 -10.196 -8.232 -14.032 1.00 0.00 C ATOM 196 C GLN A 16 -11.159 -7.209 -13.431 1.00 0.00 C ATOM 197 O GLN A 16 -10.768 -6.088 -13.115 1.00 0.00 O ATOM 198 CB GLN A 16 -10.225 -9.542 -13.241 1.00 0.00 C ATOM 199 CG GLN A 16 -10.449 -10.770 -14.102 1.00 0.00 C ATOM 200 CD GLN A 16 -9.171 -11.503 -14.430 1.00 0.00 C ATOM 201 OE1 GLN A 16 -8.328 -11.654 -13.410 1.00 0.00 O flip ATOM 202 NE2 GLN A 16 -8.898 -11.855 -15.574 1.00 0.00 N flip ATOM 0 H GLN A 16 -8.201 -8.018 -13.441 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.521 -8.476 -15.043 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.283 -9.653 -12.704 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.014 -9.486 -12.491 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.128 -11.449 -13.587 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.938 -10.472 -15.029 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.575 -11.720 -16.325 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.994 -12.283 -15.774 1.00 0.00 H new ATOM 211 N ALA A 17 -12.373 -7.668 -13.148 1.00 0.00 N ATOM 212 CA ALA A 17 -13.304 -6.915 -12.313 1.00 0.00 C ATOM 213 C ALA A 17 -14.172 -7.870 -11.499 1.00 0.00 C ATOM 214 O ALA A 17 -14.327 -9.037 -11.855 1.00 0.00 O ATOM 215 CB ALA A 17 -14.161 -5.995 -13.177 1.00 0.00 C ATOM 0 H ALA A 17 -12.737 -8.559 -13.485 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.737 -6.296 -11.618 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.851 -5.439 -12.543 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -13.518 -5.297 -13.713 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.727 -6.591 -13.893 1.00 0.00 H new ATOM 221 N VAL A 18 -14.620 -7.393 -10.343 1.00 0.00 N ATOM 222 CA VAL A 18 -15.213 -8.256 -9.331 1.00 0.00 C ATOM 223 C VAL A 18 -16.734 -8.039 -9.297 1.00 0.00 C ATOM 224 O VAL A 18 -17.193 -6.919 -9.531 1.00 0.00 O ATOM 225 CB VAL A 18 -14.551 -8.070 -7.957 1.00 0.00 C ATOM 226 CG1 VAL A 18 -14.797 -9.256 -7.026 1.00 0.00 C ATOM 227 CG2 VAL A 18 -13.063 -7.775 -8.062 1.00 0.00 C ATOM 0 H VAL A 18 -14.583 -6.407 -10.084 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.029 -9.296 -9.600 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.031 -7.196 -7.517 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.308 -9.075 -6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.869 -9.379 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -14.390 -10.162 -7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.645 -7.652 -7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.563 -8.602 -8.566 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.913 -6.859 -8.633 1.00 0.00 H new ATOM 237 N TYR A 19 -17.405 -8.965 -8.616 1.00 0.00 N ATOM 238 CA TYR A 19 -18.819 -8.821 -8.309 1.00 0.00 C ATOM 239 C TYR A 19 -19.008 -8.371 -6.863 1.00 0.00 C ATOM 240 O TYR A 19 -19.252 -9.188 -5.973 1.00 0.00 O ATOM 241 CB TYR A 19 -19.585 -10.131 -8.586 1.00 0.00 C ATOM 242 CG TYR A 19 -21.083 -10.022 -8.421 1.00 0.00 C ATOM 243 CD1 TYR A 19 -21.815 -9.120 -9.193 1.00 0.00 C ATOM 244 CD2 TYR A 19 -21.768 -10.778 -7.467 1.00 0.00 C ATOM 245 CE1 TYR A 19 -23.185 -8.961 -9.017 1.00 0.00 C ATOM 246 CE2 TYR A 19 -23.144 -10.639 -7.286 1.00 0.00 C ATOM 247 CZ TYR A 19 -23.845 -9.711 -8.054 1.00 0.00 C ATOM 248 OH TYR A 19 -25.182 -9.492 -7.876 1.00 0.00 O ATOM 0 H TYR A 19 -16.986 -9.827 -8.266 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.233 -8.053 -8.963 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -19.366 -10.458 -9.602 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -19.213 -10.905 -7.915 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.307 -8.533 -9.943 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -21.222 -11.483 -6.858 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -23.733 -8.257 -9.627 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -23.662 -11.245 -6.557 1.00 0.00 H new ATOM 0 HH TYR A 19 -25.520 -10.084 -7.172 1.00 0.00 H new ATOM 258 N ALA A 20 -18.599 -7.129 -6.601 1.00 0.00 N ATOM 259 CA ALA A 20 -18.820 -6.517 -5.297 1.00 0.00 C ATOM 260 C ALA A 20 -18.112 -7.314 -4.205 1.00 0.00 C ATOM 261 O ALA A 20 -18.493 -7.254 -3.036 1.00 0.00 O ATOM 262 CB ALA A 20 -20.314 -6.406 -5.012 1.00 0.00 C ATOM 0 H ALA A 20 -18.116 -6.532 -7.273 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.399 -5.512 -5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.465 -5.947 -4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -20.786 -5.791 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.761 -7.400 -5.019 1.00 0.00 H new ATOM 268 N ALA A 21 -17.177 -8.160 -4.625 1.00 0.00 N ATOM 269 CA ALA A 21 -16.643 -9.207 -3.762 1.00 0.00 C ATOM 270 C ALA A 21 -15.405 -8.706 -3.023 1.00 0.00 C ATOM 271 O ALA A 21 -15.369 -8.702 -1.792 1.00 0.00 O ATOM 272 CB ALA A 21 -16.330 -10.457 -4.575 1.00 0.00 C ATOM 0 H ALA A 21 -16.772 -8.140 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 21 -17.396 -9.469 -3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -15.932 -11.229 -3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -17.241 -10.820 -5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.592 -10.218 -5.341 1.00 0.00 H new ATOM 278 N GLU A 22 -14.329 -8.530 -3.783 1.00 0.00 N ATOM 279 CA GLU A 22 -13.006 -8.310 -3.216 1.00 0.00 C ATOM 280 C GLU A 22 -12.598 -6.846 -3.385 1.00 0.00 C ATOM 281 O GLU A 22 -11.415 -6.517 -3.381 1.00 0.00 O ATOM 282 CB GLU A 22 -12.032 -9.248 -3.918 1.00 0.00 C ATOM 283 CG GLU A 22 -12.536 -10.641 -4.184 1.00 0.00 C ATOM 284 CD GLU A 22 -12.741 -11.547 -3.002 1.00 0.00 C ATOM 285 OE1 GLU A 22 -13.206 -11.180 -1.938 1.00 0.00 O ATOM 286 OE2 GLU A 22 -12.536 -12.746 -3.291 1.00 0.00 O ATOM 0 H GLU A 22 -14.350 -8.536 -4.803 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.003 -8.522 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.746 -8.798 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.127 -9.319 -3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.486 -10.559 -4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.835 -11.128 -4.862 1.00 0.00 H new ATOM 293 N LYS A 23 -13.589 -6.005 -3.658 1.00 0.00 N ATOM 294 CA LYS A 23 -13.340 -4.673 -4.198 1.00 0.00 C ATOM 295 C LYS A 23 -13.075 -3.683 -3.067 1.00 0.00 C ATOM 296 O LYS A 23 -14.009 -3.159 -2.459 1.00 0.00 O ATOM 297 CB LYS A 23 -14.518 -4.170 -5.033 1.00 0.00 C ATOM 298 CG LYS A 23 -15.857 -4.195 -4.294 1.00 0.00 C ATOM 299 CD LYS A 23 -16.418 -2.810 -4.028 1.00 0.00 C ATOM 300 CE LYS A 23 -17.857 -2.663 -4.292 1.00 0.00 C ATOM 301 NZ LYS A 23 -18.584 -2.178 -3.093 1.00 0.00 N ATOM 0 H LYS A 23 -14.575 -6.223 -3.514 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.464 -4.747 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.312 -3.150 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.599 -4.780 -5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.578 -4.766 -4.880 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.732 -4.718 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.226 -2.550 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.876 -2.090 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.007 -1.966 -5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.270 -3.622 -4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.596 -2.086 -3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.460 -2.856 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.206 -1.252 -2.809 1.00 0.00 H new ATOM 315 N VAL A 24 -11.809 -3.301 -2.922 1.00 0.00 N ATOM 316 CA VAL A 24 -11.447 -2.099 -2.176 1.00 0.00 C ATOM 317 C VAL A 24 -11.490 -0.881 -3.095 1.00 0.00 C ATOM 318 O VAL A 24 -11.727 -1.015 -4.297 1.00 0.00 O ATOM 319 CB VAL A 24 -10.088 -2.289 -1.476 1.00 0.00 C ATOM 320 CG1 VAL A 24 -10.157 -3.283 -0.322 1.00 0.00 C ATOM 321 CG2 VAL A 24 -8.998 -2.678 -2.462 1.00 0.00 C ATOM 0 H VAL A 24 -11.015 -3.808 -3.312 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.175 -1.921 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.828 -1.320 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.172 -3.379 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.870 -2.928 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.479 -4.255 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.054 -2.803 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.266 -3.615 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.891 -1.895 -3.213 1.00 0.00 H new ATOM 331 N ILE A 25 -10.937 0.222 -2.589 1.00 0.00 N ATOM 332 CA ILE A 25 -10.916 1.472 -3.336 1.00 0.00 C ATOM 333 C ILE A 25 -9.754 2.348 -2.876 1.00 0.00 C ATOM 334 O ILE A 25 -9.431 2.392 -1.691 1.00 0.00 O ATOM 335 CB ILE A 25 -12.299 2.214 -3.193 1.00 0.00 C ATOM 336 CG1 ILE A 25 -12.421 3.280 -4.311 1.00 0.00 C ATOM 337 CG2 ILE A 25 -12.511 2.815 -1.787 1.00 0.00 C ATOM 338 CD1 ILE A 25 -13.659 4.203 -4.185 1.00 0.00 C ATOM 0 H ILE A 25 -10.500 0.272 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.763 1.254 -4.393 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.098 1.482 -3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.522 3.896 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.457 2.774 -5.276 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.479 3.314 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.481 2.019 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.722 3.537 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.665 4.918 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.567 3.601 -4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.617 4.741 -3.238 1.00 0.00 H new ATOM 350 N GLY A 26 -9.253 3.160 -3.802 1.00 0.00 N ATOM 351 CA GLY A 26 -8.319 4.227 -3.469 1.00 0.00 C ATOM 352 C GLY A 26 -8.536 5.428 -4.381 1.00 0.00 C ATOM 353 O GLY A 26 -9.652 5.695 -4.824 1.00 0.00 O ATOM 0 H GLY A 26 -9.481 3.097 -4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.452 4.524 -2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.295 3.867 -3.569 1.00 0.00 H new ATOM 357 N ALA A 27 -7.431 6.062 -4.761 1.00 0.00 N ATOM 358 CA ALA A 27 -7.487 7.310 -5.512 1.00 0.00 C ATOM 359 C ALA A 27 -7.969 7.049 -6.936 1.00 0.00 C ATOM 360 O ALA A 27 -7.179 6.702 -7.814 1.00 0.00 O ATOM 361 CB ALA A 27 -6.121 7.989 -5.511 1.00 0.00 C ATOM 0 H ALA A 27 -6.487 5.732 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.199 7.981 -5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.177 8.920 -6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.822 8.204 -4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.386 7.329 -5.972 1.00 0.00 H new ATOM 367 N GLY A 28 -9.286 7.055 -7.099 1.00 0.00 N ATOM 368 CA GLY A 28 -9.912 6.665 -8.354 1.00 0.00 C ATOM 369 C GLY A 28 -9.567 5.220 -8.696 1.00 0.00 C ATOM 370 O GLY A 28 -9.807 4.763 -9.813 1.00 0.00 O ATOM 0 H GLY A 28 -9.945 7.328 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.993 6.779 -8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.577 7.324 -9.155 1.00 0.00 H new ATOM 374 N LYS A 29 -9.219 4.462 -7.659 1.00 0.00 N ATOM 375 CA LYS A 29 -8.831 3.069 -7.826 1.00 0.00 C ATOM 376 C LYS A 29 -9.860 2.149 -7.177 1.00 0.00 C ATOM 377 O LYS A 29 -10.484 2.507 -6.180 1.00 0.00 O ATOM 378 CB LYS A 29 -7.457 2.784 -7.220 1.00 0.00 C ATOM 379 CG LYS A 29 -6.287 3.170 -8.126 1.00 0.00 C ATOM 380 CD LYS A 29 -5.748 2.004 -8.934 1.00 0.00 C ATOM 381 CE LYS A 29 -5.386 2.328 -10.323 1.00 0.00 C ATOM 382 NZ LYS A 29 -4.297 1.449 -10.820 1.00 0.00 N ATOM 0 H LYS A 29 -9.199 4.792 -6.694 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.783 2.877 -8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.367 3.324 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.387 1.722 -6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.608 3.958 -8.807 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.484 3.583 -7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.868 1.606 -8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.496 1.211 -8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.262 2.221 -10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.071 3.370 -10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.066 1.704 -11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.454 1.570 -10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.608 0.457 -10.784 1.00 0.00 H new ATOM 396 N SER A 30 -9.928 0.921 -7.680 1.00 0.00 N ATOM 397 CA SER A 30 -10.671 -0.143 -7.019 1.00 0.00 C ATOM 398 C SER A 30 -9.959 -1.480 -7.207 1.00 0.00 C ATOM 399 O SER A 30 -9.623 -1.862 -8.328 1.00 0.00 O ATOM 400 CB SER A 30 -12.110 -0.211 -7.514 1.00 0.00 C ATOM 401 OG SER A 30 -12.218 0.220 -8.859 1.00 0.00 O ATOM 0 H SER A 30 -9.474 0.638 -8.549 1.00 0.00 H new ATOM 0 HA SER A 30 -10.709 0.082 -5.953 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.477 -1.234 -7.428 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.743 0.410 -6.880 1.00 0.00 H new ATOM 0 HG SER A 30 -12.137 -0.552 -9.457 1.00 0.00 H new ATOM 407 N TRP A 31 -9.586 -2.092 -6.087 1.00 0.00 N ATOM 408 CA TRP A 31 -8.625 -3.186 -6.088 1.00 0.00 C ATOM 409 C TRP A 31 -9.305 -4.477 -5.617 1.00 0.00 C ATOM 410 O TRP A 31 -10.274 -4.422 -4.858 1.00 0.00 O ATOM 411 CB TRP A 31 -7.381 -2.860 -5.270 1.00 0.00 C ATOM 412 CG TRP A 31 -7.047 -1.416 -5.141 1.00 0.00 C ATOM 413 CD1 TRP A 31 -7.815 -0.430 -4.580 1.00 0.00 C ATOM 414 CD2 TRP A 31 -5.779 -0.804 -5.438 1.00 0.00 C ATOM 415 NE1 TRP A 31 -7.145 0.770 -4.605 1.00 0.00 N ATOM 416 CE2 TRP A 31 -5.894 0.567 -5.117 1.00 0.00 C ATOM 417 CE3 TRP A 31 -4.586 -1.288 -5.965 1.00 0.00 C ATOM 418 CZ2 TRP A 31 -4.862 1.467 -5.342 1.00 0.00 C ATOM 419 CZ3 TRP A 31 -3.542 -0.401 -6.139 1.00 0.00 C ATOM 420 CH2 TRP A 31 -3.680 0.955 -5.853 1.00 0.00 C ATOM 0 H TRP A 31 -9.938 -1.845 -5.162 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.277 -3.335 -7.110 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.509 -3.274 -4.270 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.530 -3.371 -5.720 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.806 -0.575 -4.176 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.520 1.666 -4.293 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.479 -2.329 -6.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -4.975 2.520 -5.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.595 -0.768 -6.506 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.849 1.621 -6.033 1.00 0.00 H new ATOM 431 N HIS A 32 -8.619 -5.592 -5.843 1.00 0.00 N ATOM 432 CA HIS A 32 -8.917 -6.839 -5.144 1.00 0.00 C ATOM 433 C HIS A 32 -8.286 -6.822 -3.753 1.00 0.00 C ATOM 434 O HIS A 32 -7.188 -6.298 -3.570 1.00 0.00 O ATOM 435 CB HIS A 32 -8.436 -8.103 -5.898 1.00 0.00 C ATOM 436 CG HIS A 32 -9.276 -8.410 -7.104 1.00 0.00 C ATOM 437 ND1 HIS A 32 -8.832 -8.268 -8.399 1.00 0.00 N ATOM 438 CD2 HIS A 32 -10.420 -9.142 -7.182 1.00 0.00 C ATOM 439 CE1 HIS A 32 -9.771 -8.715 -9.222 1.00 0.00 C ATOM 440 NE2 HIS A 32 -10.709 -9.304 -8.512 1.00 0.00 N ATOM 0 H HIS A 32 -7.849 -5.659 -6.508 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.004 -6.896 -5.080 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.400 -7.965 -6.207 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.455 -8.956 -5.219 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.994 -9.524 -6.351 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.766 -8.612 -10.297 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -11.517 -9.799 -8.889 1.00 0.00 H new ATOM 448 N LYS A 33 -8.866 -7.625 -2.866 1.00 0.00 N ATOM 449 CA LYS A 33 -8.333 -7.804 -1.525 1.00 0.00 C ATOM 450 C LYS A 33 -6.920 -8.380 -1.584 1.00 0.00 C ATOM 451 O LYS A 33 -6.134 -8.213 -0.652 1.00 0.00 O ATOM 452 CB LYS A 33 -9.211 -8.731 -0.681 1.00 0.00 C ATOM 453 CG LYS A 33 -9.957 -8.017 0.447 1.00 0.00 C ATOM 454 CD LYS A 33 -11.303 -8.644 0.760 1.00 0.00 C ATOM 455 CE LYS A 33 -12.120 -7.903 1.735 1.00 0.00 C ATOM 456 NZ LYS A 33 -13.210 -7.147 1.068 1.00 0.00 N ATOM 0 H LYS A 33 -9.711 -8.164 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.316 -6.820 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.936 -9.220 -1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.588 -9.515 -0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.340 -8.027 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.104 -6.972 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.868 -8.739 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.138 -9.653 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.547 -8.599 2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.486 -7.214 2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.766 -6.636 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.800 -6.466 0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.828 -7.808 0.556 1.00 0.00 H new ATOM 470 N SER A 34 -6.549 -8.842 -2.776 1.00 0.00 N ATOM 471 CA SER A 34 -5.247 -9.462 -2.981 1.00 0.00 C ATOM 472 C SER A 34 -4.409 -8.632 -3.947 1.00 0.00 C ATOM 473 O SER A 34 -3.509 -9.150 -4.606 1.00 0.00 O ATOM 474 CB SER A 34 -5.383 -10.901 -3.462 1.00 0.00 C ATOM 475 OG SER A 34 -6.328 -11.008 -4.511 1.00 0.00 O ATOM 0 H SER A 34 -7.132 -8.798 -3.612 1.00 0.00 H new ATOM 0 HA SER A 34 -4.732 -9.492 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.414 -11.265 -3.804 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.687 -11.537 -2.630 1.00 0.00 H new ATOM 0 HG SER A 34 -6.392 -11.942 -4.800 1.00 0.00 H new ATOM 481 N CYS A 35 -4.810 -7.377 -4.116 1.00 0.00 N ATOM 482 CA CYS A 35 -4.237 -6.515 -5.139 1.00 0.00 C ATOM 483 C CYS A 35 -3.770 -5.198 -4.525 1.00 0.00 C ATOM 484 O CYS A 35 -3.677 -4.182 -5.214 1.00 0.00 O ATOM 485 CB CYS A 35 -5.228 -6.274 -6.276 1.00 0.00 C ATOM 486 SG CYS A 35 -5.103 -7.453 -7.643 1.00 0.00 S ATOM 0 H CYS A 35 -5.535 -6.933 -3.552 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.369 -7.020 -5.564 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.240 -6.311 -5.873 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.076 -5.267 -6.666 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.432 -6.917 -8.619 1.00 0.00 H new ATOM 491 N PHE A 36 -3.735 -5.178 -3.193 1.00 0.00 N ATOM 492 CA PHE A 36 -3.264 -4.008 -2.465 1.00 0.00 C ATOM 493 C PHE A 36 -1.755 -4.096 -2.241 1.00 0.00 C ATOM 494 O PHE A 36 -1.291 -4.836 -1.374 1.00 0.00 O ATOM 495 CB PHE A 36 -3.966 -3.794 -1.102 1.00 0.00 C ATOM 496 CG PHE A 36 -4.701 -2.482 -1.038 1.00 0.00 C ATOM 497 CD1 PHE A 36 -4.096 -1.257 -1.313 1.00 0.00 C ATOM 498 CD2 PHE A 36 -6.086 -2.540 -0.864 1.00 0.00 C ATOM 499 CE1 PHE A 36 -4.852 -0.080 -1.334 1.00 0.00 C ATOM 500 CE2 PHE A 36 -6.845 -1.380 -0.825 1.00 0.00 C ATOM 501 CZ PHE A 36 -6.245 -0.161 -1.158 1.00 0.00 C ATOM 0 H PHE A 36 -4.026 -5.956 -2.602 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.514 -3.151 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.667 -4.610 -0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.225 -3.832 -0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.035 -1.216 -1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.571 -3.499 -0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.373 0.876 -1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.886 -1.417 -0.541 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.854 0.722 -1.281 1.00 0.00 H new ATOM 511 N ARG A 37 -1.017 -3.564 -3.212 1.00 0.00 N ATOM 512 CA ARG A 37 0.432 -3.683 -3.235 1.00 0.00 C ATOM 513 C ARG A 37 1.083 -2.335 -2.934 1.00 0.00 C ATOM 514 O ARG A 37 1.132 -1.454 -3.790 1.00 0.00 O ATOM 515 CB ARG A 37 0.940 -4.213 -4.582 1.00 0.00 C ATOM 516 CG ARG A 37 0.587 -3.345 -5.781 1.00 0.00 C ATOM 517 CD ARG A 37 1.806 -2.907 -6.522 1.00 0.00 C ATOM 518 NE ARG A 37 2.237 -3.896 -7.499 1.00 0.00 N ATOM 519 CZ ARG A 37 3.082 -4.888 -7.210 1.00 0.00 C ATOM 520 NH1 ARG A 37 3.746 -4.923 -6.060 1.00 0.00 N ATOM 521 NH2 ARG A 37 3.307 -5.836 -8.122 1.00 0.00 N ATOM 0 H ARG A 37 -1.406 -3.043 -3.998 1.00 0.00 H new ATOM 0 HA ARG A 37 0.709 -4.401 -2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.024 -4.315 -4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.533 -5.211 -4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.067 -3.901 -6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.031 -2.470 -5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.603 -1.963 -7.028 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.613 -2.722 -5.814 1.00 0.00 H new ATOM 0 HE ARG A 37 1.876 -3.828 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.616 -4.180 -5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.386 -5.693 -5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.836 -5.796 -9.026 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.950 -6.600 -7.915 1.00 0.00 H new ATOM 535 N CYS A 38 1.671 -2.234 -1.747 1.00 0.00 N ATOM 536 CA CYS A 38 2.632 -1.167 -1.458 1.00 0.00 C ATOM 537 C CYS A 38 3.847 -1.314 -2.378 1.00 0.00 C ATOM 538 O CYS A 38 4.767 -2.077 -2.054 1.00 0.00 O ATOM 539 CB CYS A 38 3.024 -1.191 0.013 1.00 0.00 C ATOM 540 SG CYS A 38 3.991 0.232 0.578 1.00 0.00 S ATOM 0 H CYS A 38 1.503 -2.873 -0.970 1.00 0.00 H new ATOM 0 HA CYS A 38 2.176 -0.196 -1.652 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.116 -1.254 0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.597 -2.098 0.205 1.00 0.00 H new ATOM 0 HG CYS A 38 3.909 0.326 1.872 1.00 0.00 H new ATOM 545 N ALA A 39 4.032 -0.294 -3.215 1.00 0.00 N ATOM 546 CA ALA A 39 5.247 -0.146 -4.003 1.00 0.00 C ATOM 547 C ALA A 39 6.220 0.802 -3.307 1.00 0.00 C ATOM 548 O ALA A 39 7.035 1.455 -3.958 1.00 0.00 O ATOM 549 CB ALA A 39 4.911 0.347 -5.407 1.00 0.00 C ATOM 0 H ALA A 39 3.347 0.447 -3.363 1.00 0.00 H new ATOM 0 HA ALA A 39 5.729 -1.119 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.829 0.453 -5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.254 -0.372 -5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.409 1.312 -5.343 1.00 0.00 H new ATOM 555 N LYS A 40 6.296 0.661 -1.984 1.00 0.00 N ATOM 556 CA LYS A 40 7.123 1.545 -1.174 1.00 0.00 C ATOM 557 C LYS A 40 8.030 0.733 -0.255 1.00 0.00 C ATOM 558 O LYS A 40 9.246 0.908 -0.257 1.00 0.00 O ATOM 559 CB LYS A 40 6.280 2.502 -0.329 1.00 0.00 C ATOM 560 CG LYS A 40 6.951 3.850 -0.063 1.00 0.00 C ATOM 561 CD LYS A 40 7.111 4.156 1.414 1.00 0.00 C ATOM 562 CE LYS A 40 8.031 3.261 2.135 1.00 0.00 C ATOM 563 NZ LYS A 40 9.438 3.474 1.713 1.00 0.00 N ATOM 0 H LYS A 40 5.796 -0.054 -1.455 1.00 0.00 H new ATOM 0 HA LYS A 40 7.726 2.136 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.329 2.674 -0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.054 2.025 0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.932 3.860 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.363 4.640 -0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.465 5.181 1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.131 4.106 1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.942 3.433 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.748 2.224 1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.064 3.392 2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.701 2.757 1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.536 4.422 1.297 1.00 0.00 H new ATOM 577 N CYS A 41 7.431 -0.227 0.447 1.00 0.00 N ATOM 578 CA CYS A 41 8.196 -1.312 1.058 1.00 0.00 C ATOM 579 C CYS A 41 8.192 -2.536 0.144 1.00 0.00 C ATOM 580 O CYS A 41 9.111 -3.354 0.189 1.00 0.00 O ATOM 581 CB CYS A 41 7.713 -1.627 2.462 1.00 0.00 C ATOM 582 SG CYS A 41 5.981 -2.111 2.613 1.00 0.00 S ATOM 0 H CYS A 41 6.425 -0.276 0.606 1.00 0.00 H new ATOM 0 HA CYS A 41 9.230 -0.986 1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.330 -2.429 2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.881 -0.750 3.088 1.00 0.00 H new ATOM 0 HG CYS A 41 5.245 -1.319 1.892 1.00 0.00 H new ATOM 587 N GLY A 42 7.319 -2.480 -0.860 1.00 0.00 N ATOM 588 CA GLY A 42 7.345 -3.424 -1.966 1.00 0.00 C ATOM 589 C GLY A 42 6.515 -4.661 -1.629 1.00 0.00 C ATOM 590 O GLY A 42 6.759 -5.744 -2.159 1.00 0.00 O ATOM 0 H GLY A 42 6.579 -1.781 -0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.954 -2.950 -2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.373 -3.715 -2.180 1.00 0.00 H new ATOM 594 N LYS A 43 5.646 -4.514 -0.634 1.00 0.00 N ATOM 595 CA LYS A 43 5.043 -5.662 0.035 1.00 0.00 C ATOM 596 C LYS A 43 3.583 -5.813 -0.383 1.00 0.00 C ATOM 597 O LYS A 43 2.847 -4.831 -0.477 1.00 0.00 O ATOM 598 CB LYS A 43 5.114 -5.534 1.557 1.00 0.00 C ATOM 599 CG LYS A 43 5.055 -6.874 2.294 1.00 0.00 C ATOM 600 CD LYS A 43 5.412 -6.759 3.764 1.00 0.00 C ATOM 601 CE LYS A 43 4.392 -6.104 4.600 1.00 0.00 C ATOM 602 NZ LYS A 43 4.965 -4.968 5.365 1.00 0.00 N ATOM 0 H LYS A 43 5.343 -3.610 -0.272 1.00 0.00 H new ATOM 0 HA LYS A 43 5.610 -6.543 -0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.038 -5.022 1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.291 -4.906 1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.052 -7.289 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.737 -7.576 1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.596 -7.759 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.346 -6.204 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.578 -5.746 3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.964 -6.831 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.480 -4.887 6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.980 -5.133 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.837 -4.087 4.827 1.00 0.00 H new ATOM 616 N SER A 44 3.138 -7.063 -0.480 1.00 0.00 N ATOM 617 CA SER A 44 1.711 -7.377 -0.435 1.00 0.00 C ATOM 618 C SER A 44 1.173 -7.129 0.977 1.00 0.00 C ATOM 619 O SER A 44 1.852 -7.431 1.961 1.00 0.00 O ATOM 620 CB SER A 44 1.436 -8.801 -0.887 1.00 0.00 C ATOM 621 OG SER A 44 1.920 -9.034 -2.199 1.00 0.00 O ATOM 0 H SER A 44 3.744 -7.876 -0.590 1.00 0.00 H new ATOM 0 HA SER A 44 1.191 -6.720 -1.131 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.906 -9.500 -0.195 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.364 -8.993 -0.855 1.00 0.00 H new ATOM 0 HG SER A 44 1.729 -9.959 -2.459 1.00 0.00 H new ATOM 627 N LEU A 45 0.115 -6.325 1.057 1.00 0.00 N ATOM 628 CA LEU A 45 -0.254 -5.631 2.272 1.00 0.00 C ATOM 629 C LEU A 45 -1.223 -6.481 3.112 1.00 0.00 C ATOM 630 O LEU A 45 -1.133 -7.706 3.100 1.00 0.00 O ATOM 631 CB LEU A 45 -0.856 -4.270 1.895 1.00 0.00 C ATOM 632 CG LEU A 45 -0.169 -3.004 2.346 1.00 0.00 C ATOM 633 CD1 LEU A 45 -1.133 -1.821 2.218 1.00 0.00 C ATOM 634 CD2 LEU A 45 0.309 -3.120 3.786 1.00 0.00 C ATOM 0 H LEU A 45 -0.509 -6.141 0.272 1.00 0.00 H new ATOM 0 HA LEU A 45 0.627 -5.464 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.927 -4.234 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.875 -4.245 2.282 1.00 0.00 H new ATOM 0 HG LEU A 45 0.701 -2.843 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.634 -0.908 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.442 -1.714 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.010 -1.998 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.800 -2.193 4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.544 -3.304 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.014 -3.947 3.870 1.00 0.00 H new ATOM 646 N GLU A 46 -1.853 -5.797 4.065 1.00 0.00 N ATOM 647 CA GLU A 46 -2.577 -6.471 5.137 1.00 0.00 C ATOM 648 C GLU A 46 -3.978 -5.880 5.279 1.00 0.00 C ATOM 649 O GLU A 46 -4.217 -5.003 6.106 1.00 0.00 O ATOM 650 CB GLU A 46 -1.766 -6.317 6.418 1.00 0.00 C ATOM 651 CG GLU A 46 -1.683 -7.539 7.291 1.00 0.00 C ATOM 652 CD GLU A 46 -0.793 -8.663 6.838 1.00 0.00 C ATOM 653 OE1 GLU A 46 0.405 -8.315 6.778 1.00 0.00 O ATOM 654 OE2 GLU A 46 -1.166 -9.816 6.711 1.00 0.00 O ATOM 0 H GLU A 46 -1.876 -4.779 4.115 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.701 -7.531 4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.753 -6.015 6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.197 -5.504 7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.348 -7.223 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.691 -7.936 7.409 1.00 0.00 H new ATOM 661 N SER A 47 -4.914 -6.444 4.522 1.00 0.00 N ATOM 662 CA SER A 47 -6.335 -6.220 4.762 1.00 0.00 C ATOM 663 C SER A 47 -6.692 -4.759 4.523 1.00 0.00 C ATOM 664 O SER A 47 -7.186 -4.395 3.455 1.00 0.00 O ATOM 665 CB SER A 47 -6.744 -6.674 6.157 1.00 0.00 C ATOM 666 OG SER A 47 -7.238 -8.001 6.147 1.00 0.00 O ATOM 0 H SER A 47 -4.713 -7.061 3.735 1.00 0.00 H new ATOM 0 HA SER A 47 -6.898 -6.826 4.052 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.887 -6.609 6.828 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.508 -6.003 6.550 1.00 0.00 H new ATOM 0 HG SER A 47 -7.490 -8.263 7.057 1.00 0.00 H new ATOM 672 N THR A 48 -6.530 -3.949 5.563 1.00 0.00 N ATOM 673 CA THR A 48 -7.055 -2.590 5.574 1.00 0.00 C ATOM 674 C THR A 48 -6.131 -1.669 6.366 1.00 0.00 C ATOM 675 O THR A 48 -6.381 -1.387 7.539 1.00 0.00 O ATOM 676 CB THR A 48 -8.528 -2.540 6.160 1.00 0.00 C ATOM 677 OG1 THR A 48 -8.551 -3.432 7.309 1.00 0.00 O ATOM 678 CG2 THR A 48 -9.615 -2.860 5.134 1.00 0.00 C ATOM 0 H THR A 48 -6.035 -4.213 6.415 1.00 0.00 H new ATOM 0 HA THR A 48 -7.098 -2.241 4.542 1.00 0.00 H new ATOM 0 HB THR A 48 -8.769 -1.520 6.460 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.829 -3.189 7.926 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.593 -2.805 5.611 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.569 -2.139 4.318 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.459 -3.864 4.740 1.00 0.00 H new ATOM 686 N THR A 49 -4.937 -1.461 5.812 1.00 0.00 N ATOM 687 CA THR A 49 -3.926 -0.639 6.456 1.00 0.00 C ATOM 688 C THR A 49 -2.999 -0.021 5.411 1.00 0.00 C ATOM 689 O THR A 49 -1.915 -0.538 5.149 1.00 0.00 O ATOM 690 CB THR A 49 -3.091 -1.465 7.521 1.00 0.00 C ATOM 691 OG1 THR A 49 -2.884 -2.789 6.951 1.00 0.00 O ATOM 692 CG2 THR A 49 -3.729 -1.508 8.909 1.00 0.00 C ATOM 0 H THR A 49 -4.650 -1.854 4.916 1.00 0.00 H new ATOM 0 HA THR A 49 -4.439 0.161 6.990 1.00 0.00 H new ATOM 0 HB THR A 49 -2.137 -0.970 7.705 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.730 -3.283 6.956 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.099 -2.091 9.581 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.830 -0.494 9.295 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.714 -1.970 8.843 1.00 0.00 H new ATOM 700 N LEU A 50 -3.513 0.990 4.719 1.00 0.00 N ATOM 701 CA LEU A 50 -2.880 1.494 3.506 1.00 0.00 C ATOM 702 C LEU A 50 -3.071 3.002 3.395 1.00 0.00 C ATOM 703 O LEU A 50 -3.500 3.658 4.342 1.00 0.00 O ATOM 704 CB LEU A 50 -3.449 0.706 2.316 1.00 0.00 C ATOM 705 CG LEU A 50 -4.951 0.479 2.298 1.00 0.00 C ATOM 706 CD1 LEU A 50 -5.635 1.420 1.317 1.00 0.00 C ATOM 707 CD2 LEU A 50 -5.224 -0.971 1.911 1.00 0.00 C ATOM 0 H LEU A 50 -4.370 1.478 4.979 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.801 1.342 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.174 1.229 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.958 -0.267 2.287 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.354 0.684 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.709 1.236 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.442 2.452 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.244 1.247 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.300 -1.147 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.809 -1.168 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.759 -1.636 2.639 1.00 0.00 H new ATOM 719 N ALA A 51 -2.576 3.556 2.290 1.00 0.00 N ATOM 720 CA ALA A 51 -2.768 4.970 1.994 1.00 0.00 C ATOM 721 C ALA A 51 -2.691 5.210 0.489 1.00 0.00 C ATOM 722 O ALA A 51 -1.607 5.349 -0.074 1.00 0.00 O ATOM 723 CB ALA A 51 -1.736 5.810 2.738 1.00 0.00 C ATOM 0 H ALA A 51 -2.040 3.046 1.587 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.759 5.272 2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.891 6.864 2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.844 5.653 3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.734 5.514 2.427 1.00 0.00 H new ATOM 729 N ASP A 52 -3.861 5.421 -0.108 1.00 0.00 N ATOM 730 CA ASP A 52 -3.956 5.665 -1.540 1.00 0.00 C ATOM 731 C ASP A 52 -3.794 7.153 -1.837 1.00 0.00 C ATOM 732 O ASP A 52 -4.202 8.001 -1.046 1.00 0.00 O ATOM 733 CB ASP A 52 -5.217 5.043 -2.135 1.00 0.00 C ATOM 734 CG ASP A 52 -6.494 5.523 -1.472 1.00 0.00 C ATOM 735 OD1 ASP A 52 -6.849 6.692 -1.734 1.00 0.00 O ATOM 736 OD2 ASP A 52 -7.122 4.786 -0.697 1.00 0.00 O ATOM 0 H ASP A 52 -4.756 5.427 0.381 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.131 5.161 -2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.260 5.274 -3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.155 3.958 -2.046 1.00 0.00 H new ATOM 741 N LYS A 53 -3.338 7.444 -3.050 1.00 0.00 N ATOM 742 CA LYS A 53 -3.350 8.804 -3.573 1.00 0.00 C ATOM 743 C LYS A 53 -2.742 8.842 -4.970 1.00 0.00 C ATOM 744 O LYS A 53 -1.768 8.149 -5.259 1.00 0.00 O ATOM 745 CB LYS A 53 -2.582 9.769 -2.668 1.00 0.00 C ATOM 746 CG LYS A 53 -3.437 10.905 -2.105 1.00 0.00 C ATOM 747 CD LYS A 53 -3.380 10.999 -0.592 1.00 0.00 C ATOM 748 CE LYS A 53 -4.574 11.586 0.038 1.00 0.00 C ATOM 749 NZ LYS A 53 -5.737 10.665 -0.039 1.00 0.00 N ATOM 0 H LYS A 53 -2.953 6.751 -3.692 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.392 9.122 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.150 9.208 -1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.752 10.197 -3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.104 11.850 -2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.472 10.761 -2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.227 9.999 -0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.510 11.593 -0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.360 11.817 1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.821 12.527 -0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.432 11.040 -0.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.417 9.727 -0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.177 10.582 0.900 1.00 0.00 H new ATOM 763 N ASP A 54 -3.341 9.653 -5.835 1.00 0.00 N ATOM 764 CA ASP A 54 -2.748 9.970 -7.127 1.00 0.00 C ATOM 765 C ASP A 54 -2.585 8.704 -7.962 1.00 0.00 C ATOM 766 O ASP A 54 -1.912 8.710 -8.991 1.00 0.00 O ATOM 767 CB ASP A 54 -1.468 10.787 -6.975 1.00 0.00 C ATOM 768 CG ASP A 54 -1.539 11.809 -5.856 1.00 0.00 C ATOM 769 OD1 ASP A 54 -2.603 12.460 -5.766 1.00 0.00 O ATOM 770 OD2 ASP A 54 -0.598 11.945 -5.061 1.00 0.00 O ATOM 0 H ASP A 54 -4.240 10.104 -5.663 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.428 10.617 -7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.634 10.111 -6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.259 11.300 -7.914 1.00 0.00 H new ATOM 775 N GLY A 55 -3.318 7.666 -7.574 1.00 0.00 N ATOM 776 CA GLY A 55 -3.457 6.470 -8.395 1.00 0.00 C ATOM 777 C GLY A 55 -2.657 5.317 -7.797 1.00 0.00 C ATOM 778 O GLY A 55 -2.884 4.155 -8.127 1.00 0.00 O ATOM 0 H GLY A 55 -3.827 7.630 -6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.508 6.192 -8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.110 6.674 -9.408 1.00 0.00 H new ATOM 782 N GLU A 56 -1.578 5.681 -7.107 1.00 0.00 N ATOM 783 CA GLU A 56 -0.709 4.698 -6.475 1.00 0.00 C ATOM 784 C GLU A 56 -0.795 4.827 -4.950 1.00 0.00 C ATOM 785 O GLU A 56 -1.672 5.524 -4.437 1.00 0.00 O ATOM 786 CB GLU A 56 0.709 4.929 -6.975 1.00 0.00 C ATOM 787 CG GLU A 56 0.947 4.639 -8.434 1.00 0.00 C ATOM 788 CD GLU A 56 2.197 3.889 -8.801 1.00 0.00 C ATOM 789 OE1 GLU A 56 2.061 2.654 -8.659 1.00 0.00 O ATOM 790 OE2 GLU A 56 3.172 4.403 -9.320 1.00 0.00 O ATOM 0 H GLU A 56 -1.287 6.649 -6.973 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.019 3.686 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.977 5.968 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.387 4.311 -6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.094 4.072 -8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.957 5.589 -8.968 1.00 0.00 H new ATOM 797 N ILE A 57 -0.072 3.947 -4.264 1.00 0.00 N ATOM 798 CA ILE A 57 -0.359 3.635 -2.866 1.00 0.00 C ATOM 799 C ILE A 57 0.930 3.286 -2.125 1.00 0.00 C ATOM 800 O ILE A 57 1.728 2.476 -2.600 1.00 0.00 O ATOM 801 CB ILE A 57 -1.420 2.474 -2.779 1.00 0.00 C ATOM 802 CG1 ILE A 57 -0.802 1.170 -3.351 1.00 0.00 C ATOM 803 CG2 ILE A 57 -2.753 2.833 -3.470 1.00 0.00 C ATOM 804 CD1 ILE A 57 -1.710 -0.077 -3.223 1.00 0.00 C ATOM 0 H ILE A 57 0.720 3.435 -4.654 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.787 4.512 -2.380 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.671 2.318 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.565 1.326 -4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.140 0.973 -2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.447 1.997 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.183 3.715 -2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.572 3.041 -4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.201 -0.943 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.927 -0.263 -2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.642 0.095 -3.761 1.00 0.00 H new ATOM 816 N TYR A 58 1.024 3.746 -0.879 1.00 0.00 N ATOM 817 CA TYR A 58 1.896 3.103 0.111 1.00 0.00 C ATOM 818 C TYR A 58 1.107 2.858 1.397 1.00 0.00 C ATOM 819 O TYR A 58 -0.090 3.151 1.458 1.00 0.00 O ATOM 820 CB TYR A 58 3.150 3.948 0.376 1.00 0.00 C ATOM 821 CG TYR A 58 2.904 5.444 0.389 1.00 0.00 C ATOM 822 CD1 TYR A 58 2.456 6.091 1.544 1.00 0.00 C ATOM 823 CD2 TYR A 58 2.910 6.165 -0.805 1.00 0.00 C ATOM 824 CE1 TYR A 58 2.092 7.437 1.524 1.00 0.00 C ATOM 825 CE2 TYR A 58 2.545 7.507 -0.844 1.00 0.00 C ATOM 826 CZ TYR A 58 2.127 8.138 0.320 1.00 0.00 C ATOM 827 OH TYR A 58 1.723 9.441 0.233 1.00 0.00 O ATOM 0 H TYR A 58 0.512 4.556 -0.529 1.00 0.00 H new ATOM 0 HA TYR A 58 2.236 2.145 -0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.576 3.653 1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.895 3.721 -0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.390 5.538 2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.204 5.671 -1.719 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.786 7.932 2.434 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.587 8.055 -1.774 1.00 0.00 H new ATOM 0 HH TYR A 58 1.824 9.754 -0.690 1.00 0.00 H new ATOM 837 N CYS A 59 1.723 2.160 2.355 1.00 0.00 N ATOM 838 CA CYS A 59 0.951 1.312 3.273 1.00 0.00 C ATOM 839 C CYS A 59 0.919 1.882 4.674 1.00 0.00 C ATOM 840 O CYS A 59 1.668 2.812 5.008 1.00 0.00 O ATOM 841 CB CYS A 59 1.320 -0.146 3.163 1.00 0.00 C ATOM 842 SG CYS A 59 2.806 -0.763 3.930 1.00 0.00 S ATOM 0 H CYS A 59 2.730 2.162 2.515 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.092 1.330 2.955 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.487 -0.720 3.568 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.384 -0.383 2.101 1.00 0.00 H new ATOM 0 HG CYS A 59 3.757 0.114 3.802 1.00 0.00 H new ATOM 847 N LYS A 60 -0.201 1.626 5.373 1.00 0.00 N ATOM 848 CA LYS A 60 -0.250 1.889 6.811 1.00 0.00 C ATOM 849 C LYS A 60 0.590 0.847 7.560 1.00 0.00 C ATOM 850 O LYS A 60 1.123 1.144 8.634 1.00 0.00 O ATOM 851 CB LYS A 60 -1.677 1.854 7.349 1.00 0.00 C ATOM 852 CG LYS A 60 -1.915 2.778 8.544 1.00 0.00 C ATOM 853 CD LYS A 60 -3.199 2.465 9.292 1.00 0.00 C ATOM 854 CE LYS A 60 -3.466 3.330 10.452 1.00 0.00 C ATOM 855 NZ LYS A 60 -4.017 2.555 11.591 1.00 0.00 N ATOM 0 H LYS A 60 -1.060 1.247 4.974 1.00 0.00 H new ATOM 0 HA LYS A 60 0.152 2.889 6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.363 2.129 6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.920 0.832 7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.073 2.698 9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.946 3.811 8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.036 2.544 8.598 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.162 1.429 9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.544 3.824 10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.169 4.113 10.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.194 3.194 12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.909 2.103 11.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.335 1.824 11.876 1.00 0.00 H new ATOM 869 N GLY A 61 1.019 -0.162 6.807 1.00 0.00 N ATOM 870 CA GLY A 61 2.123 -1.025 7.192 1.00 0.00 C ATOM 871 C GLY A 61 3.436 -0.260 7.241 1.00 0.00 C ATOM 872 O GLY A 61 4.421 -0.722 7.825 1.00 0.00 O ATOM 0 H GLY A 61 0.605 -0.402 5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.920 -1.464 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.207 -1.849 6.483 1.00 0.00 H new ATOM 876 N CYS A 62 3.382 1.014 6.844 1.00 0.00 N ATOM 877 CA CYS A 62 4.612 1.767 6.576 1.00 0.00 C ATOM 878 C CYS A 62 4.632 3.008 7.487 1.00 0.00 C ATOM 879 O CYS A 62 5.421 3.061 8.429 1.00 0.00 O ATOM 880 CB CYS A 62 4.689 2.181 5.112 1.00 0.00 C ATOM 881 SG CYS A 62 5.877 1.265 4.103 1.00 0.00 S ATOM 0 H CYS A 62 2.519 1.538 6.703 1.00 0.00 H new ATOM 0 HA CYS A 62 5.477 1.137 6.784 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.700 2.068 4.669 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.940 3.241 5.065 1.00 0.00 H new ATOM 0 HG CYS A 62 5.844 1.710 2.882 1.00 0.00 H new ATOM 886 N TYR A 63 3.520 3.739 7.431 1.00 0.00 N ATOM 887 CA TYR A 63 3.227 4.778 8.405 1.00 0.00 C ATOM 888 C TYR A 63 3.145 4.185 9.811 1.00 0.00 C ATOM 889 O TYR A 63 3.364 4.884 10.799 1.00 0.00 O ATOM 890 CB TYR A 63 1.922 5.523 8.050 1.00 0.00 C ATOM 891 CG TYR A 63 2.124 6.951 7.601 1.00 0.00 C ATOM 892 CD1 TYR A 63 2.903 7.845 8.340 1.00 0.00 C ATOM 893 CD2 TYR A 63 1.547 7.408 6.416 1.00 0.00 C ATOM 894 CE1 TYR A 63 3.071 9.168 7.933 1.00 0.00 C ATOM 895 CE2 TYR A 63 1.694 8.729 6.001 1.00 0.00 C ATOM 896 CZ TYR A 63 2.444 9.609 6.769 1.00 0.00 C ATOM 897 OH TYR A 63 2.527 10.909 6.355 1.00 0.00 O ATOM 0 H TYR A 63 2.804 3.626 6.713 1.00 0.00 H new ATOM 0 HA TYR A 63 4.041 5.502 8.381 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.408 4.975 7.260 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.266 5.517 8.920 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.385 7.504 9.245 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.975 6.723 5.808 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.681 9.844 8.514 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.227 9.067 5.087 1.00 0.00 H new ATOM 0 HH TYR A 63 2.024 11.019 5.521 1.00 0.00 H new ATOM 907 N ALA A 64 3.053 2.860 9.861 1.00 0.00 N ATOM 908 CA ALA A 64 3.264 2.114 11.093 1.00 0.00 C ATOM 909 C ALA A 64 4.736 1.737 11.239 1.00 0.00 C ATOM 910 O ALA A 64 5.404 2.149 12.184 1.00 0.00 O ATOM 911 CB ALA A 64 2.375 0.876 11.123 1.00 0.00 C ATOM 0 H ALA A 64 2.831 2.278 9.053 1.00 0.00 H new ATOM 0 HA ALA A 64 2.991 2.746 11.938 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.544 0.329 12.050 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.329 1.178 11.065 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.615 0.235 10.275 1.00 0.00 H new ATOM 917 N LYS A 65 5.200 0.880 10.335 1.00 0.00 N ATOM 918 CA LYS A 65 6.477 0.198 10.508 1.00 0.00 C ATOM 919 C LYS A 65 7.616 1.209 10.589 1.00 0.00 C ATOM 920 O LYS A 65 8.672 0.924 11.154 1.00 0.00 O ATOM 921 CB LYS A 65 6.758 -0.779 9.366 1.00 0.00 C ATOM 922 CG LYS A 65 8.035 -1.600 9.552 1.00 0.00 C ATOM 923 CD LYS A 65 7.768 -3.018 10.020 1.00 0.00 C ATOM 924 CE LYS A 65 7.621 -4.009 8.941 1.00 0.00 C ATOM 925 NZ LYS A 65 6.562 -3.611 7.978 1.00 0.00 N ATOM 0 H LYS A 65 4.709 0.641 9.473 1.00 0.00 H new ATOM 0 HA LYS A 65 6.414 -0.365 11.439 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.912 -1.459 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.830 -0.221 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.580 -1.632 8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.679 -1.100 10.276 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.584 -3.330 10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.860 -3.021 10.623 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.569 -4.120 8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.378 -4.982 9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.390 -4.389 7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.685 -3.398 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.869 -2.767 7.454 1.00 0.00 H new ATOM 939 N ASN A 66 7.288 2.454 10.250 1.00 0.00 N ATOM 940 CA ASN A 66 8.259 3.538 10.285 1.00 0.00 C ATOM 941 C ASN A 66 7.580 4.848 10.683 1.00 0.00 C ATOM 942 O ASN A 66 7.866 5.899 10.111 1.00 0.00 O ATOM 943 CB ASN A 66 9.060 3.621 8.988 1.00 0.00 C ATOM 944 CG ASN A 66 8.221 3.376 7.748 1.00 0.00 C ATOM 945 OD1 ASN A 66 7.547 4.289 7.248 1.00 0.00 O ATOM 946 ND2 ASN A 66 8.222 2.132 7.271 1.00 0.00 N ATOM 0 H ASN A 66 6.355 2.734 9.948 1.00 0.00 H new ATOM 0 HA ASN A 66 8.998 3.328 11.058 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.522 4.606 8.917 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.869 2.891 9.021 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.651 1.897 6.459 1.00 0.00 H new ATOM 0 HD22 ASN A 66 8.794 1.415 7.717 1.00 0.00 H new