USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 571 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 Single : A 11 MET CE :methyl -131:sc= -1.41 (180deg=-3.55!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0227 K(o=-0.023,f=-0.86) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc=0.000593 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -130:sc= -2.99! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 50:sc= 0.774 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.6 K(o=-0.6,f=-0.0088) USER MOD Single : A 57 LYS NZ :NH3+ -148:sc= -0.448 (180deg=-1.44!) USER MOD Single : A 58 ASN : amide:sc= -0.896 K(o=-0.9,f=-2.8!) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00588 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.121 USER MOD Single : A 70 CYS SG : rot 90:sc= -0.714 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=0.74) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -31:sc= -0.553 USER MOD Single : A 85 LYS NZ :NH3+ -130:sc= 0.981 (180deg=-0.328) USER MOD ----------------------------------------------------------------- ATOM 108 N MET A 11 5.550 -10.827 3.872 1.00 0.00 N ATOM 109 CA MET A 11 6.178 -10.253 2.688 1.00 0.00 C ATOM 110 C MET A 11 6.791 -8.892 3.001 1.00 0.00 C ATOM 111 O MET A 11 7.845 -8.538 2.474 1.00 0.00 O ATOM 112 CB MET A 11 5.156 -10.117 1.557 1.00 0.00 C ATOM 113 CG MET A 11 5.730 -10.400 0.179 1.00 0.00 C ATOM 114 SD MET A 11 6.247 -12.116 -0.019 1.00 0.00 S ATOM 115 CE MET A 11 7.993 -11.990 0.361 1.00 0.00 C ATOM 0 HA MET A 11 6.975 -10.925 2.370 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.328 -10.801 1.743 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.745 -9.107 1.570 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.983 -10.160 -0.578 1.00 0.00 H new ATOM 0 HG3 MET A 11 6.583 -9.745 0.004 1.00 0.00 H new ATOM 0 HE1 MET A 11 8.571 -12.494 -0.413 1.00 0.00 H new ATOM 0 HE2 MET A 11 8.281 -10.940 0.403 1.00 0.00 H new ATOM 0 HE3 MET A 11 8.190 -12.459 1.325 1.00 0.00 H new ATOM 125 N LEU A 12 6.121 -8.132 3.863 1.00 0.00 N ATOM 126 CA LEU A 12 6.599 -6.809 4.248 1.00 0.00 C ATOM 127 C LEU A 12 7.985 -6.892 4.879 1.00 0.00 C ATOM 128 O LEU A 12 8.790 -5.968 4.757 1.00 0.00 O ATOM 129 CB LEU A 12 5.619 -6.153 5.223 1.00 0.00 C ATOM 130 CG LEU A 12 4.521 -5.313 4.571 1.00 0.00 C ATOM 131 CD1 LEU A 12 3.575 -4.758 5.625 1.00 0.00 C ATOM 132 CD2 LEU A 12 5.130 -4.186 3.751 1.00 0.00 C ATOM 0 H LEU A 12 5.246 -8.410 4.307 1.00 0.00 H new ATOM 0 HA LEU A 12 6.667 -6.199 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.150 -6.933 5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.182 -5.519 5.908 1.00 0.00 H new ATOM 0 HG LEU A 12 3.948 -5.955 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.800 -4.163 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.113 -5.582 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.133 -4.131 6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.334 -3.598 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.728 -3.546 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.765 -4.606 2.971 1.00 0.00 H new ATOM 144 N SER A 13 8.257 -8.004 5.553 1.00 0.00 N ATOM 145 CA SER A 13 9.547 -8.206 6.204 1.00 0.00 C ATOM 146 C SER A 13 10.651 -8.416 5.172 1.00 0.00 C ATOM 147 O SER A 13 11.685 -7.750 5.212 1.00 0.00 O ATOM 148 CB SER A 13 9.482 -9.408 7.148 1.00 0.00 C ATOM 149 OG SER A 13 9.163 -9.001 8.469 1.00 0.00 O ATOM 0 H SER A 13 7.603 -8.779 5.663 1.00 0.00 H new ATOM 0 HA SER A 13 9.779 -7.311 6.781 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.733 -10.115 6.791 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.439 -9.929 7.145 1.00 0.00 H new ATOM 0 HG SER A 13 9.126 -9.787 9.053 1.00 0.00 H new ATOM 155 N ALA A 14 10.423 -9.344 4.249 1.00 0.00 N ATOM 156 CA ALA A 14 11.397 -9.642 3.206 1.00 0.00 C ATOM 157 C ALA A 14 11.656 -8.420 2.333 1.00 0.00 C ATOM 158 O ALA A 14 12.766 -8.224 1.836 1.00 0.00 O ATOM 159 CB ALA A 14 10.919 -10.808 2.355 1.00 0.00 C ATOM 0 H ALA A 14 9.571 -9.903 4.202 1.00 0.00 H new ATOM 0 HA ALA A 14 12.335 -9.918 3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.656 -11.019 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.791 -11.689 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.967 -10.553 1.890 1.00 0.00 H new ATOM 165 N LEU A 15 10.627 -7.598 2.150 1.00 0.00 N ATOM 166 CA LEU A 15 10.744 -6.395 1.336 1.00 0.00 C ATOM 167 C LEU A 15 11.517 -5.309 2.077 1.00 0.00 C ATOM 168 O LEU A 15 12.609 -4.918 1.664 1.00 0.00 O ATOM 169 CB LEU A 15 9.357 -5.876 0.953 1.00 0.00 C ATOM 170 CG LEU A 15 8.544 -6.806 0.051 1.00 0.00 C ATOM 171 CD1 LEU A 15 7.054 -6.584 0.259 1.00 0.00 C ATOM 172 CD2 LEU A 15 8.918 -6.591 -1.408 1.00 0.00 C ATOM 0 H LEU A 15 9.702 -7.744 2.555 1.00 0.00 H new ATOM 0 HA LEU A 15 11.292 -6.653 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.790 -5.693 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.471 -4.916 0.450 1.00 0.00 H new ATOM 0 HG LEU A 15 8.777 -7.837 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.492 -7.254 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.797 -6.787 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.803 -5.551 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.331 -7.260 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.713 -5.558 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.979 -6.801 -1.546 1.00 0.00 H new ATOM 184 N GLY A 16 10.945 -4.825 3.175 1.00 0.00 N ATOM 185 CA GLY A 16 11.593 -3.789 3.957 1.00 0.00 C ATOM 186 C GLY A 16 10.679 -2.612 4.230 1.00 0.00 C ATOM 187 O GLY A 16 11.095 -1.458 4.128 1.00 0.00 O ATOM 0 H GLY A 16 10.043 -5.133 3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.930 -4.210 4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.481 -3.441 3.429 1.00 0.00 H new ATOM 191 N LEU A 17 9.430 -2.904 4.577 1.00 0.00 N ATOM 192 CA LEU A 17 8.452 -1.861 4.865 1.00 0.00 C ATOM 193 C LEU A 17 7.447 -2.331 5.912 1.00 0.00 C ATOM 194 O LEU A 17 7.206 -3.529 6.060 1.00 0.00 O ATOM 195 CB LEU A 17 7.720 -1.452 3.585 1.00 0.00 C ATOM 196 CG LEU A 17 7.164 -0.028 3.584 1.00 0.00 C ATOM 197 CD1 LEU A 17 8.202 0.949 3.055 1.00 0.00 C ATOM 198 CD2 LEU A 17 5.890 0.045 2.756 1.00 0.00 C ATOM 0 H LEU A 17 9.071 -3.855 4.666 1.00 0.00 H new ATOM 0 HA LEU A 17 8.985 -0.997 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.404 -1.559 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.897 -2.147 3.417 1.00 0.00 H new ATOM 0 HG LEU A 17 6.924 0.249 4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.789 1.958 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.089 0.916 3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.474 0.675 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.508 1.066 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.106 -0.252 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.143 -0.627 3.178 1.00 0.00 H new ATOM 210 N ARG A 18 6.865 -1.381 6.634 1.00 0.00 N ATOM 211 CA ARG A 18 5.885 -1.697 7.667 1.00 0.00 C ATOM 212 C ARG A 18 4.513 -1.136 7.306 1.00 0.00 C ATOM 213 O ARG A 18 4.408 -0.146 6.582 1.00 0.00 O ATOM 214 CB ARG A 18 6.340 -1.140 9.017 1.00 0.00 C ATOM 215 CG ARG A 18 7.022 -2.172 9.902 1.00 0.00 C ATOM 216 CD ARG A 18 7.176 -1.670 11.329 1.00 0.00 C ATOM 217 NE ARG A 18 6.727 -2.658 12.308 1.00 0.00 N ATOM 218 CZ ARG A 18 5.448 -2.947 12.536 1.00 0.00 C ATOM 219 NH1 ARG A 18 4.489 -2.328 11.858 1.00 0.00 N ATOM 220 NH2 ARG A 18 5.126 -3.859 13.443 1.00 0.00 N ATOM 0 H ARG A 18 7.055 -0.385 6.523 1.00 0.00 H new ATOM 0 HA ARG A 18 5.805 -2.782 7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.026 -0.310 8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.476 -0.736 9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.441 -3.094 9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.003 -2.412 9.492 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.221 -1.423 11.516 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.604 -0.750 11.454 1.00 0.00 H new ATOM 0 HE ARG A 18 7.435 -3.155 12.848 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.731 -1.627 11.158 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.511 -2.554 12.037 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.858 -4.339 13.966 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.146 -4.081 13.618 1.00 0.00 H new ATOM 234 N LEU A 19 3.465 -1.774 7.816 1.00 0.00 N ATOM 235 CA LEU A 19 2.100 -1.338 7.547 1.00 0.00 C ATOM 236 C LEU A 19 1.878 0.089 8.037 1.00 0.00 C ATOM 237 O LEU A 19 2.220 0.426 9.171 1.00 0.00 O ATOM 238 CB LEU A 19 1.099 -2.281 8.219 1.00 0.00 C ATOM 239 CG LEU A 19 1.104 -3.715 7.688 1.00 0.00 C ATOM 240 CD1 LEU A 19 0.483 -4.662 8.702 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.364 -3.792 6.360 1.00 0.00 C ATOM 0 H LEU A 19 3.535 -2.595 8.418 1.00 0.00 H new ATOM 0 HA LEU A 19 1.944 -1.362 6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.307 -2.305 9.289 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.097 -1.869 8.099 1.00 0.00 H new ATOM 0 HG LEU A 19 2.138 -4.019 7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.495 -5.678 8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.054 -4.627 9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.546 -4.361 8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.377 -4.819 5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.668 -3.469 6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.852 -3.143 5.633 1.00 0.00 H new ATOM 253 N GLY A 20 1.305 0.924 7.177 1.00 0.00 N ATOM 254 CA GLY A 20 1.049 2.304 7.542 1.00 0.00 C ATOM 255 C GLY A 20 2.082 3.258 6.974 1.00 0.00 C ATOM 256 O GLY A 20 1.809 4.445 6.799 1.00 0.00 O ATOM 0 H GLY A 20 1.013 0.669 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.059 2.592 7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.036 2.392 8.628 1.00 0.00 H new ATOM 260 N ASP A 21 3.272 2.739 6.687 1.00 0.00 N ATOM 261 CA ASP A 21 4.349 3.554 6.137 1.00 0.00 C ATOM 262 C ASP A 21 3.936 4.173 4.805 1.00 0.00 C ATOM 263 O ASP A 21 3.105 3.620 4.084 1.00 0.00 O ATOM 264 CB ASP A 21 5.612 2.711 5.952 1.00 0.00 C ATOM 265 CG ASP A 21 6.877 3.501 6.220 1.00 0.00 C ATOM 266 OD1 ASP A 21 7.267 4.310 5.352 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.480 3.309 7.297 1.00 0.00 O ATOM 0 H ASP A 21 3.514 1.758 6.826 1.00 0.00 H new ATOM 0 HA ASP A 21 4.559 4.359 6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.574 1.852 6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.639 2.320 4.935 1.00 0.00 H new ATOM 272 N ARG A 22 4.523 5.322 4.485 1.00 0.00 N ATOM 273 CA ARG A 22 4.216 6.015 3.240 1.00 0.00 C ATOM 274 C ARG A 22 4.816 5.282 2.045 1.00 0.00 C ATOM 275 O ARG A 22 5.896 4.698 2.140 1.00 0.00 O ATOM 276 CB ARG A 22 4.741 7.451 3.291 1.00 0.00 C ATOM 277 CG ARG A 22 3.784 8.471 2.695 1.00 0.00 C ATOM 278 CD ARG A 22 4.120 9.881 3.150 1.00 0.00 C ATOM 279 NE ARG A 22 3.433 10.235 4.389 1.00 0.00 N ATOM 280 CZ ARG A 22 2.158 10.615 4.448 1.00 0.00 C ATOM 281 NH1 ARG A 22 1.429 10.691 3.342 1.00 0.00 N ATOM 282 NH2 ARG A 22 1.611 10.921 5.617 1.00 0.00 N ATOM 0 H ARG A 22 5.213 5.792 5.071 1.00 0.00 H new ATOM 0 HA ARG A 22 3.133 6.035 3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.944 7.718 4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.690 7.501 2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.826 8.419 1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.762 8.227 2.987 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.197 9.968 3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.845 10.589 2.368 1.00 0.00 H new ATOM 0 HE ARG A 22 3.961 10.188 5.261 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.845 10.458 2.440 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.453 10.983 3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.167 10.865 6.470 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.634 11.212 5.663 1.00 0.00 H new ATOM 296 N VAL A 23 4.110 5.319 0.920 1.00 0.00 N ATOM 297 CA VAL A 23 4.573 4.659 -0.295 1.00 0.00 C ATOM 298 C VAL A 23 4.385 5.558 -1.512 1.00 0.00 C ATOM 299 O VAL A 23 3.383 6.264 -1.625 1.00 0.00 O ATOM 300 CB VAL A 23 3.830 3.332 -0.534 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.240 2.296 0.502 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.325 3.550 -0.511 1.00 0.00 C ATOM 0 H VAL A 23 3.215 5.799 0.824 1.00 0.00 H new ATOM 0 HA VAL A 23 5.634 4.452 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 23 4.105 2.956 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.705 1.365 0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.313 2.117 0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.997 2.663 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.817 2.601 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.030 3.950 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.048 4.256 -1.294 1.00 0.00 H new ATOM 312 N LEU A 24 5.354 5.526 -2.421 1.00 0.00 N ATOM 313 CA LEU A 24 5.293 6.339 -3.631 1.00 0.00 C ATOM 314 C LEU A 24 4.844 5.503 -4.824 1.00 0.00 C ATOM 315 O LEU A 24 5.517 4.550 -5.219 1.00 0.00 O ATOM 316 CB LEU A 24 6.657 6.967 -3.919 1.00 0.00 C ATOM 317 CG LEU A 24 6.617 8.249 -4.752 1.00 0.00 C ATOM 318 CD1 LEU A 24 5.953 9.373 -3.971 1.00 0.00 C ATOM 319 CD2 LEU A 24 8.021 8.651 -5.178 1.00 0.00 C ATOM 0 H LEU A 24 6.190 4.947 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 24 4.563 7.132 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.148 7.184 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.275 6.234 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 24 6.027 8.059 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.934 10.277 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.933 9.086 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.516 9.563 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.974 9.565 -5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.634 8.823 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.462 7.854 -5.776 1.00 0.00 H new ATOM 331 N LEU A 25 3.700 5.864 -5.396 1.00 0.00 N ATOM 332 CA LEU A 25 3.158 5.148 -6.545 1.00 0.00 C ATOM 333 C LEU A 25 3.415 5.918 -7.836 1.00 0.00 C ATOM 334 O LEU A 25 3.223 7.133 -7.895 1.00 0.00 O ATOM 335 CB LEU A 25 1.657 4.914 -6.366 1.00 0.00 C ATOM 336 CG LEU A 25 1.245 4.375 -4.995 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.260 4.477 -4.812 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.708 2.935 -4.828 1.00 0.00 C ATOM 0 H LEU A 25 3.130 6.649 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 25 3.662 4.184 -6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.135 5.854 -6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.320 4.214 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 25 1.725 4.982 -4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.534 4.089 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.566 5.520 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.761 3.895 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.407 2.567 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.256 2.315 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.794 2.889 -4.915 1.00 0.00 H new ATOM 350 N ASP A 26 3.848 5.203 -8.869 1.00 0.00 N ATOM 351 CA ASP A 26 4.131 5.818 -10.161 1.00 0.00 C ATOM 352 C ASP A 26 5.208 6.893 -10.032 1.00 0.00 C ATOM 353 O ASP A 26 5.277 7.815 -10.844 1.00 0.00 O ATOM 354 CB ASP A 26 2.854 6.424 -10.750 1.00 0.00 C ATOM 355 CG ASP A 26 2.617 5.990 -12.183 1.00 0.00 C ATOM 356 OD1 ASP A 26 2.350 4.790 -12.404 1.00 0.00 O ATOM 357 OD2 ASP A 26 2.699 6.850 -13.084 1.00 0.00 O ATOM 0 H ASP A 26 4.011 4.197 -8.837 1.00 0.00 H new ATOM 0 HA ASP A 26 4.500 5.042 -10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.000 6.131 -10.139 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.918 7.511 -10.708 1.00 0.00 H new ATOM 362 N GLY A 27 6.048 6.767 -9.008 1.00 0.00 N ATOM 363 CA GLY A 27 7.110 7.735 -8.794 1.00 0.00 C ATOM 364 C GLY A 27 6.593 9.157 -8.692 1.00 0.00 C ATOM 365 O GLY A 27 7.221 10.089 -9.193 1.00 0.00 O ATOM 0 H GLY A 27 6.012 6.012 -8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.648 7.482 -7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.825 7.671 -9.614 1.00 0.00 H new ATOM 369 N GLN A 28 5.446 9.323 -8.043 1.00 0.00 N ATOM 370 CA GLN A 28 4.846 10.643 -7.877 1.00 0.00 C ATOM 371 C GLN A 28 3.705 10.599 -6.865 1.00 0.00 C ATOM 372 O GLN A 28 3.736 11.295 -5.849 1.00 0.00 O ATOM 373 CB GLN A 28 4.336 11.166 -9.223 1.00 0.00 C ATOM 374 CG GLN A 28 5.172 12.301 -9.789 1.00 0.00 C ATOM 375 CD GLN A 28 5.036 13.581 -8.988 1.00 0.00 C ATOM 376 OE1 GLN A 28 3.994 13.842 -8.386 1.00 0.00 O ATOM 377 NE2 GLN A 28 6.091 14.387 -8.978 1.00 0.00 N ATOM 0 H GLN A 28 4.913 8.561 -7.623 1.00 0.00 H new ATOM 0 HA GLN A 28 5.612 11.320 -7.500 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.320 10.345 -9.940 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.307 11.507 -9.105 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.219 12.000 -9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.873 12.489 -10.820 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.934 14.130 -9.492 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.059 15.263 -8.457 1.00 0.00 H new ATOM 386 N LYS A 29 2.699 9.779 -7.149 1.00 0.00 N ATOM 387 CA LYS A 29 1.547 9.646 -6.264 1.00 0.00 C ATOM 388 C LYS A 29 1.976 9.162 -4.882 1.00 0.00 C ATOM 389 O LYS A 29 2.830 8.286 -4.759 1.00 0.00 O ATOM 390 CB LYS A 29 0.526 8.676 -6.863 1.00 0.00 C ATOM 391 CG LYS A 29 -0.241 9.253 -8.041 1.00 0.00 C ATOM 392 CD LYS A 29 0.313 8.753 -9.366 1.00 0.00 C ATOM 393 CE LYS A 29 0.256 9.831 -10.436 1.00 0.00 C ATOM 394 NZ LYS A 29 0.578 9.290 -11.786 1.00 0.00 N ATOM 0 H LYS A 29 2.658 9.196 -7.985 1.00 0.00 H new ATOM 0 HA LYS A 29 1.086 10.628 -6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.042 7.771 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.182 8.382 -6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.293 8.981 -7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.190 10.341 -8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.344 8.427 -9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.256 7.883 -9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.739 10.276 -10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.957 10.627 -10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.528 10.056 -12.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.537 8.888 -11.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.107 8.548 -12.035 1.00 0.00 H new ATOM 408 N THR A 30 1.376 9.740 -3.847 1.00 0.00 N ATOM 409 CA THR A 30 1.695 9.368 -2.474 1.00 0.00 C ATOM 410 C THR A 30 0.582 8.519 -1.867 1.00 0.00 C ATOM 411 O THR A 30 -0.559 8.966 -1.751 1.00 0.00 O ATOM 412 CB THR A 30 1.921 10.620 -1.624 1.00 0.00 C ATOM 413 OG1 THR A 30 1.264 11.738 -2.194 1.00 0.00 O ATOM 414 CG2 THR A 30 3.383 10.979 -1.464 1.00 0.00 C ATOM 0 H THR A 30 0.666 10.468 -3.933 1.00 0.00 H new ATOM 0 HA THR A 30 2.611 8.777 -2.487 1.00 0.00 H new ATOM 0 HB THR A 30 1.513 10.380 -0.642 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.419 12.528 -1.635 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.472 11.876 -0.851 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.909 10.155 -0.981 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.821 11.165 -2.444 1.00 0.00 H new ATOM 422 N GLY A 31 0.923 7.294 -1.483 1.00 0.00 N ATOM 423 CA GLY A 31 -0.058 6.401 -0.893 1.00 0.00 C ATOM 424 C GLY A 31 0.339 5.936 0.493 1.00 0.00 C ATOM 425 O GLY A 31 1.517 5.969 0.852 1.00 0.00 O ATOM 0 H GLY A 31 1.861 6.903 -1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.021 6.909 -0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.190 5.534 -1.540 1.00 0.00 H new ATOM 429 N THR A 32 -0.643 5.503 1.276 1.00 0.00 N ATOM 430 CA THR A 32 -0.389 5.029 2.632 1.00 0.00 C ATOM 431 C THR A 32 -0.703 3.542 2.758 1.00 0.00 C ATOM 432 O THR A 32 -1.847 3.122 2.580 1.00 0.00 O ATOM 433 CB THR A 32 -1.224 5.825 3.637 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.463 7.138 3.162 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.572 5.941 4.997 1.00 0.00 C ATOM 0 H THR A 32 -1.623 5.470 0.995 1.00 0.00 H new ATOM 0 HA THR A 32 0.669 5.177 2.849 1.00 0.00 H new ATOM 0 HB THR A 32 -2.155 5.268 3.744 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.000 7.630 3.818 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.216 6.517 5.661 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.419 4.945 5.413 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.390 6.444 4.898 1.00 0.00 H new ATOM 443 N LEU A 33 0.319 2.751 3.066 1.00 0.00 N ATOM 444 CA LEU A 33 0.152 1.310 3.216 1.00 0.00 C ATOM 445 C LEU A 33 -0.843 0.990 4.327 1.00 0.00 C ATOM 446 O LEU A 33 -0.988 1.752 5.282 1.00 0.00 O ATOM 447 CB LEU A 33 1.499 0.648 3.516 1.00 0.00 C ATOM 448 CG LEU A 33 1.471 -0.880 3.570 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.049 -1.454 2.226 1.00 0.00 C ATOM 450 CD2 LEU A 33 2.832 -1.423 3.980 1.00 0.00 C ATOM 0 H LEU A 33 1.272 3.083 3.217 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.239 0.915 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.216 0.956 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.867 1.024 4.471 1.00 0.00 H new ATOM 0 HG LEU A 33 0.739 -1.185 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.035 -2.542 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.053 -1.091 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.756 -1.140 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.794 -2.512 4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.583 -1.108 3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.095 -1.039 4.965 1.00 0.00 H new ATOM 462 N ARG A 34 -1.527 -0.142 4.194 1.00 0.00 N ATOM 463 CA ARG A 34 -2.509 -0.562 5.187 1.00 0.00 C ATOM 464 C ARG A 34 -2.473 -2.074 5.381 1.00 0.00 C ATOM 465 O ARG A 34 -2.289 -2.563 6.496 1.00 0.00 O ATOM 466 CB ARG A 34 -3.913 -0.124 4.764 1.00 0.00 C ATOM 467 CG ARG A 34 -3.991 1.329 4.325 1.00 0.00 C ATOM 468 CD ARG A 34 -5.316 1.963 4.719 1.00 0.00 C ATOM 469 NE ARG A 34 -5.129 3.207 5.460 1.00 0.00 N ATOM 470 CZ ARG A 34 -4.710 3.263 6.722 1.00 0.00 C ATOM 471 NH1 ARG A 34 -4.434 2.148 7.387 1.00 0.00 N ATOM 472 NH2 ARG A 34 -4.567 4.437 7.322 1.00 0.00 N ATOM 0 H ARG A 34 -1.419 -0.784 3.409 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.257 -0.086 6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.252 -0.760 3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.599 -0.281 5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.171 1.890 4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.865 1.390 3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.904 2.160 3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.887 1.261 5.327 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.331 4.085 4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.543 1.242 6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.113 2.197 8.354 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.778 5.297 6.816 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.246 4.480 8.289 1.00 0.00 H new ATOM 486 N PHE A 35 -2.651 -2.811 4.289 1.00 0.00 N ATOM 487 CA PHE A 35 -2.639 -4.269 4.339 1.00 0.00 C ATOM 488 C PHE A 35 -1.623 -4.840 3.356 1.00 0.00 C ATOM 489 O PHE A 35 -1.181 -4.153 2.435 1.00 0.00 O ATOM 490 CB PHE A 35 -4.032 -4.820 4.030 1.00 0.00 C ATOM 491 CG PHE A 35 -4.112 -6.320 4.094 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.973 -6.982 5.304 1.00 0.00 C ATOM 493 CD2 PHE A 35 -4.327 -7.065 2.947 1.00 0.00 C ATOM 494 CE1 PHE A 35 -4.046 -8.360 5.367 1.00 0.00 C ATOM 495 CE2 PHE A 35 -4.401 -8.444 3.004 1.00 0.00 C ATOM 496 CZ PHE A 35 -4.260 -9.092 4.215 1.00 0.00 C ATOM 0 H PHE A 35 -2.805 -2.422 3.359 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.350 -4.571 5.346 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.746 -4.396 4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.332 -4.490 3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.806 -6.414 6.207 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.438 -6.563 1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.936 -8.864 6.316 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.569 -9.014 2.102 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.317 -10.169 4.262 1.00 0.00 H new ATOM 506 N CYS A 36 -1.255 -6.102 3.560 1.00 0.00 N ATOM 507 CA CYS A 36 -0.291 -6.767 2.691 1.00 0.00 C ATOM 508 C CYS A 36 -0.512 -8.276 2.692 1.00 0.00 C ATOM 509 O CYS A 36 -1.046 -8.835 3.649 1.00 0.00 O ATOM 510 CB CYS A 36 1.136 -6.447 3.138 1.00 0.00 C ATOM 511 SG CYS A 36 2.418 -7.192 2.101 1.00 0.00 S ATOM 0 H CYS A 36 -1.610 -6.684 4.319 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.436 -6.397 1.676 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.270 -5.365 3.142 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.269 -6.789 4.164 1.00 0.00 H new ATOM 0 HG CYS A 36 3.282 -7.806 2.853 1.00 0.00 H new ATOM 517 N GLY A 37 -0.097 -8.931 1.612 1.00 0.00 N ATOM 518 CA GLY A 37 -0.257 -10.369 1.509 1.00 0.00 C ATOM 519 C GLY A 37 -0.994 -10.782 0.249 1.00 0.00 C ATOM 520 O GLY A 37 -0.846 -10.152 -0.799 1.00 0.00 O ATOM 0 H GLY A 37 0.347 -8.491 0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.725 -10.843 1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.800 -10.734 2.380 1.00 0.00 H new ATOM 524 N THR A 38 -1.788 -11.842 0.350 1.00 0.00 N ATOM 525 CA THR A 38 -2.549 -12.339 -0.790 1.00 0.00 C ATOM 526 C THR A 38 -4.017 -11.936 -0.680 1.00 0.00 C ATOM 527 O THR A 38 -4.531 -11.718 0.417 1.00 0.00 O ATOM 528 CB THR A 38 -2.432 -13.860 -0.885 1.00 0.00 C ATOM 529 OG1 THR A 38 -3.217 -14.487 0.113 1.00 0.00 O ATOM 530 CG2 THR A 38 -1.012 -14.361 -0.733 1.00 0.00 C ATOM 0 H THR A 38 -1.921 -12.374 1.210 1.00 0.00 H new ATOM 0 HA THR A 38 -2.134 -11.893 -1.694 1.00 0.00 H new ATOM 0 HB THR A 38 -2.786 -14.115 -1.884 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.130 -15.460 0.034 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.000 -15.448 -0.810 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.389 -13.934 -1.519 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.623 -14.062 0.240 1.00 0.00 H new ATOM 538 N THR A 39 -4.686 -11.842 -1.824 1.00 0.00 N ATOM 539 CA THR A 39 -6.094 -11.467 -1.857 1.00 0.00 C ATOM 540 C THR A 39 -6.975 -12.683 -2.124 1.00 0.00 C ATOM 541 O THR A 39 -6.477 -13.796 -2.297 1.00 0.00 O ATOM 542 CB THR A 39 -6.336 -10.403 -2.929 1.00 0.00 C ATOM 543 OG1 THR A 39 -5.733 -10.779 -4.154 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.797 -9.040 -2.552 1.00 0.00 C ATOM 0 H THR A 39 -4.275 -12.020 -2.741 1.00 0.00 H new ATOM 0 HA THR A 39 -6.357 -11.057 -0.882 1.00 0.00 H new ATOM 0 HB THR A 39 -7.419 -10.333 -3.027 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.988 -11.699 -4.375 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.002 -8.333 -3.356 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.279 -8.699 -1.636 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.721 -9.106 -2.392 1.00 0.00 H new ATOM 552 N GLU A 40 -8.286 -12.464 -2.157 1.00 0.00 N ATOM 553 CA GLU A 40 -9.235 -13.543 -2.403 1.00 0.00 C ATOM 554 C GLU A 40 -9.709 -13.531 -3.852 1.00 0.00 C ATOM 555 O GLU A 40 -9.744 -14.568 -4.514 1.00 0.00 O ATOM 556 CB GLU A 40 -10.434 -13.419 -1.460 1.00 0.00 C ATOM 557 CG GLU A 40 -10.251 -14.157 -0.144 1.00 0.00 C ATOM 558 CD GLU A 40 -11.154 -15.370 -0.024 1.00 0.00 C ATOM 559 OE1 GLU A 40 -12.288 -15.320 -0.545 1.00 0.00 O ATOM 560 OE2 GLU A 40 -10.726 -16.370 0.592 1.00 0.00 O ATOM 0 H GLU A 40 -8.715 -11.549 -2.016 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.729 -14.490 -2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.616 -12.364 -1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.322 -13.803 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.212 -14.472 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.453 -13.475 0.682 1.00 0.00 H new ATOM 567 N PHE A 41 -10.073 -12.349 -4.340 1.00 0.00 N ATOM 568 CA PHE A 41 -10.546 -12.201 -5.712 1.00 0.00 C ATOM 569 C PHE A 41 -9.451 -12.575 -6.706 1.00 0.00 C ATOM 570 O PHE A 41 -9.734 -13.073 -7.797 1.00 0.00 O ATOM 571 CB PHE A 41 -11.010 -10.765 -5.961 1.00 0.00 C ATOM 572 CG PHE A 41 -10.013 -9.728 -5.527 1.00 0.00 C ATOM 573 CD1 PHE A 41 -8.964 -9.366 -6.358 1.00 0.00 C ATOM 574 CD2 PHE A 41 -10.126 -9.116 -4.290 1.00 0.00 C ATOM 575 CE1 PHE A 41 -8.046 -8.412 -5.961 1.00 0.00 C ATOM 576 CE2 PHE A 41 -9.211 -8.162 -3.887 1.00 0.00 C ATOM 577 CZ PHE A 41 -8.169 -7.809 -4.724 1.00 0.00 C ATOM 0 H PHE A 41 -10.049 -11.480 -3.806 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.389 -12.877 -5.856 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -11.215 -10.637 -7.024 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.949 -10.598 -5.433 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.863 -9.834 -7.326 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -10.939 -9.387 -3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.233 -8.138 -6.617 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -9.310 -7.693 -2.919 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.453 -7.064 -4.412 1.00 0.00 H new ATOM 587 N ALA A 42 -8.203 -12.331 -6.325 1.00 0.00 N ATOM 588 CA ALA A 42 -7.066 -12.641 -7.183 1.00 0.00 C ATOM 589 C ALA A 42 -5.961 -13.340 -6.400 1.00 0.00 C ATOM 590 O ALA A 42 -6.021 -13.438 -5.174 1.00 0.00 O ATOM 591 CB ALA A 42 -6.534 -11.371 -7.833 1.00 0.00 C ATOM 0 H ALA A 42 -7.952 -11.919 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.406 -13.321 -7.964 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.685 -11.617 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.320 -10.914 -8.435 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.216 -10.672 -7.059 1.00 0.00 H new ATOM 597 N SER A 43 -4.950 -13.824 -7.116 1.00 0.00 N ATOM 598 CA SER A 43 -3.830 -14.514 -6.488 1.00 0.00 C ATOM 599 C SER A 43 -2.518 -13.787 -6.766 1.00 0.00 C ATOM 600 O SER A 43 -2.291 -13.296 -7.872 1.00 0.00 O ATOM 601 CB SER A 43 -3.744 -15.956 -6.991 1.00 0.00 C ATOM 602 OG SER A 43 -2.779 -16.695 -6.263 1.00 0.00 O ATOM 0 H SER A 43 -4.884 -13.751 -8.131 1.00 0.00 H new ATOM 0 HA SER A 43 -3.999 -14.522 -5.411 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.719 -16.435 -6.898 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.486 -15.960 -8.050 1.00 0.00 H new ATOM 0 HG SER A 43 -2.745 -17.613 -6.603 1.00 0.00 H new ATOM 608 N GLY A 44 -1.656 -13.724 -5.756 1.00 0.00 N ATOM 609 CA GLY A 44 -0.378 -13.057 -5.913 1.00 0.00 C ATOM 610 C GLY A 44 -0.001 -12.232 -4.697 1.00 0.00 C ATOM 611 O GLY A 44 -0.398 -12.550 -3.576 1.00 0.00 O ATOM 0 H GLY A 44 -1.820 -14.123 -4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.397 -13.801 -6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.414 -12.411 -6.790 1.00 0.00 H new ATOM 615 N GLN A 45 0.766 -11.170 -4.918 1.00 0.00 N ATOM 616 CA GLN A 45 1.197 -10.297 -3.833 1.00 0.00 C ATOM 617 C GLN A 45 0.598 -8.902 -3.987 1.00 0.00 C ATOM 618 O GLN A 45 0.991 -8.142 -4.873 1.00 0.00 O ATOM 619 CB GLN A 45 2.723 -10.207 -3.796 1.00 0.00 C ATOM 620 CG GLN A 45 3.386 -11.396 -3.117 1.00 0.00 C ATOM 621 CD GLN A 45 4.259 -12.198 -4.063 1.00 0.00 C ATOM 622 OE1 GLN A 45 5.375 -12.585 -3.718 1.00 0.00 O ATOM 623 NE2 GLN A 45 3.753 -12.450 -5.265 1.00 0.00 N ATOM 0 H GLN A 45 1.102 -10.893 -5.840 1.00 0.00 H new ATOM 0 HA GLN A 45 0.843 -10.725 -2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.099 -10.125 -4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.012 -9.294 -3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.991 -11.042 -2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.617 -12.046 -2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.823 -12.109 -5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.295 -12.984 -5.945 1.00 0.00 H new ATOM 632 N TRP A 46 -0.353 -8.573 -3.121 1.00 0.00 N ATOM 633 CA TRP A 46 -1.007 -7.270 -3.160 1.00 0.00 C ATOM 634 C TRP A 46 -0.808 -6.520 -1.848 1.00 0.00 C ATOM 635 O TRP A 46 -0.411 -7.106 -0.840 1.00 0.00 O ATOM 636 CB TRP A 46 -2.502 -7.433 -3.444 1.00 0.00 C ATOM 637 CG TRP A 46 -2.787 -8.164 -4.720 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.621 -9.500 -4.955 1.00 0.00 C ATOM 639 CD2 TRP A 46 -3.288 -7.601 -5.937 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.988 -9.800 -6.244 1.00 0.00 N ATOM 641 CE2 TRP A 46 -3.402 -8.653 -6.868 1.00 0.00 C ATOM 642 CE3 TRP A 46 -3.654 -6.311 -6.331 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.865 -8.451 -8.165 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -4.113 -6.113 -7.619 1.00 0.00 C ATOM 645 CH2 TRP A 46 -4.215 -7.178 -8.523 1.00 0.00 C ATOM 0 H TRP A 46 -0.689 -9.191 -2.382 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.552 -6.689 -3.962 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.966 -7.968 -2.615 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.966 -6.448 -3.487 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.255 -10.215 -4.233 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.957 -10.727 -6.668 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.579 -5.484 -5.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.945 -9.270 -8.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.398 -5.120 -7.934 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.577 -6.990 -9.523 1.00 0.00 H new ATOM 656 N VAL A 47 -1.085 -5.220 -1.866 1.00 0.00 N ATOM 657 CA VAL A 47 -0.937 -4.389 -0.678 1.00 0.00 C ATOM 658 C VAL A 47 -1.902 -3.210 -0.708 1.00 0.00 C ATOM 659 O VAL A 47 -2.052 -2.542 -1.732 1.00 0.00 O ATOM 660 CB VAL A 47 0.501 -3.855 -0.543 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.475 -4.996 -0.293 1.00 0.00 C ATOM 662 CG2 VAL A 47 0.898 -3.068 -1.784 1.00 0.00 C ATOM 0 H VAL A 47 -1.414 -4.719 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.166 -5.021 0.180 1.00 0.00 H new ATOM 0 HB VAL A 47 0.539 -3.182 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.486 -4.598 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.202 -5.512 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.436 -5.697 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.917 -2.699 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.842 -3.716 -2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.219 -2.225 -1.913 1.00 0.00 H new ATOM 672 N GLY A 48 -2.558 -2.959 0.422 1.00 0.00 N ATOM 673 CA GLY A 48 -3.502 -1.860 0.503 1.00 0.00 C ATOM 674 C GLY A 48 -2.815 -0.510 0.583 1.00 0.00 C ATOM 675 O GLY A 48 -2.107 -0.223 1.549 1.00 0.00 O ATOM 0 H GLY A 48 -2.452 -3.497 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.155 -1.881 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.136 -1.994 1.379 1.00 0.00 H new ATOM 679 N VAL A 49 -3.026 0.319 -0.433 1.00 0.00 N ATOM 680 CA VAL A 49 -2.423 1.646 -0.475 1.00 0.00 C ATOM 681 C VAL A 49 -3.488 2.731 -0.580 1.00 0.00 C ATOM 682 O VAL A 49 -4.270 2.757 -1.530 1.00 0.00 O ATOM 683 CB VAL A 49 -1.448 1.784 -1.659 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.681 3.093 -1.571 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.493 0.600 -1.705 1.00 0.00 C ATOM 0 H VAL A 49 -3.610 0.096 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.871 1.771 0.457 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.027 1.791 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.003 3.172 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.382 3.928 -1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.113 3.120 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.188 0.715 -2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.080 0.558 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.062 -0.322 -1.822 1.00 0.00 H new ATOM 695 N GLU A 50 -3.514 3.627 0.403 1.00 0.00 N ATOM 696 CA GLU A 50 -4.484 4.715 0.420 1.00 0.00 C ATOM 697 C GLU A 50 -3.900 5.973 -0.212 1.00 0.00 C ATOM 698 O GLU A 50 -2.947 6.557 0.306 1.00 0.00 O ATOM 699 CB GLU A 50 -4.926 5.009 1.854 1.00 0.00 C ATOM 700 CG GLU A 50 -6.319 5.609 1.951 1.00 0.00 C ATOM 701 CD GLU A 50 -6.540 6.365 3.246 1.00 0.00 C ATOM 702 OE1 GLU A 50 -5.549 6.870 3.816 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.703 6.452 3.692 1.00 0.00 O ATOM 0 H GLU A 50 -2.874 3.620 1.197 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.351 4.405 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.897 4.085 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.212 5.693 2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.480 6.283 1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.060 4.814 1.868 1.00 0.00 H new ATOM 710 N LEU A 51 -4.478 6.389 -1.334 1.00 0.00 N ATOM 711 CA LEU A 51 -4.015 7.579 -2.038 1.00 0.00 C ATOM 712 C LEU A 51 -4.367 8.843 -1.258 1.00 0.00 C ATOM 713 O LEU A 51 -5.516 9.044 -0.868 1.00 0.00 O ATOM 714 CB LEU A 51 -4.631 7.642 -3.437 1.00 0.00 C ATOM 715 CG LEU A 51 -4.243 6.490 -4.366 1.00 0.00 C ATOM 716 CD1 LEU A 51 -5.188 6.426 -5.557 1.00 0.00 C ATOM 717 CD2 LEU A 51 -2.804 6.644 -4.833 1.00 0.00 C ATOM 0 H LEU A 51 -5.268 5.919 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.930 7.518 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.716 7.660 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.337 8.581 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.325 5.556 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.898 5.601 -6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.207 6.269 -5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.137 7.362 -6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.545 5.816 -5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.695 7.585 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.139 6.641 -3.969 1.00 0.00 H new ATOM 729 N ASP A 52 -3.368 9.692 -1.037 1.00 0.00 N ATOM 730 CA ASP A 52 -3.573 10.937 -0.305 1.00 0.00 C ATOM 731 C ASP A 52 -4.590 11.824 -1.014 1.00 0.00 C ATOM 732 O ASP A 52 -5.462 12.416 -0.377 1.00 0.00 O ATOM 733 CB ASP A 52 -2.247 11.684 -0.150 1.00 0.00 C ATOM 734 CG ASP A 52 -2.205 12.535 1.105 1.00 0.00 C ATOM 735 OD1 ASP A 52 -3.288 12.894 1.614 1.00 0.00 O ATOM 736 OD2 ASP A 52 -1.091 12.841 1.577 1.00 0.00 O ATOM 0 H ASP A 52 -2.410 9.541 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.961 10.690 0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.429 10.964 -0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.087 12.319 -1.021 1.00 0.00 H new ATOM 741 N GLU A 53 -4.473 11.912 -2.334 1.00 0.00 N ATOM 742 CA GLU A 53 -5.383 12.726 -3.130 1.00 0.00 C ATOM 743 C GLU A 53 -6.724 12.021 -3.317 1.00 0.00 C ATOM 744 O GLU A 53 -6.834 10.814 -3.102 1.00 0.00 O ATOM 745 CB GLU A 53 -4.762 13.040 -4.493 1.00 0.00 C ATOM 746 CG GLU A 53 -3.987 14.347 -4.523 1.00 0.00 C ATOM 747 CD GLU A 53 -2.499 14.140 -4.734 1.00 0.00 C ATOM 748 OE1 GLU A 53 -2.127 13.453 -5.708 1.00 0.00 O ATOM 749 OE2 GLU A 53 -1.707 14.666 -3.924 1.00 0.00 O ATOM 0 H GLU A 53 -3.756 11.429 -2.876 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.557 13.660 -2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.095 12.225 -4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.552 13.079 -5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.379 14.979 -5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.146 14.881 -3.586 1.00 0.00 H new ATOM 756 N PRO A 54 -7.765 12.768 -3.725 1.00 0.00 N ATOM 757 CA PRO A 54 -9.102 12.207 -3.940 1.00 0.00 C ATOM 758 C PRO A 54 -9.154 11.287 -5.156 1.00 0.00 C ATOM 759 O PRO A 54 -9.615 11.681 -6.227 1.00 0.00 O ATOM 760 CB PRO A 54 -9.975 13.443 -4.168 1.00 0.00 C ATOM 761 CG PRO A 54 -9.037 14.480 -4.680 1.00 0.00 C ATOM 762 CD PRO A 54 -7.720 14.215 -4.005 1.00 0.00 C ATOM 0 HA PRO A 54 -9.425 11.590 -3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.770 13.239 -4.885 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.455 13.765 -3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.940 14.418 -5.764 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.399 15.482 -4.450 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.879 14.474 -4.649 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.613 14.798 -3.090 1.00 0.00 H new ATOM 770 N GLU A 55 -8.677 10.058 -4.981 1.00 0.00 N ATOM 771 CA GLU A 55 -8.668 9.081 -6.064 1.00 0.00 C ATOM 772 C GLU A 55 -8.549 7.662 -5.514 1.00 0.00 C ATOM 773 O GLU A 55 -7.787 7.409 -4.582 1.00 0.00 O ATOM 774 CB GLU A 55 -7.516 9.369 -7.030 1.00 0.00 C ATOM 775 CG GLU A 55 -7.974 9.653 -8.452 1.00 0.00 C ATOM 776 CD GLU A 55 -8.487 8.413 -9.157 1.00 0.00 C ATOM 777 OE1 GLU A 55 -9.368 7.730 -8.592 1.00 0.00 O ATOM 778 OE2 GLU A 55 -8.008 8.123 -10.273 1.00 0.00 O ATOM 0 H GLU A 55 -8.292 9.716 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.611 9.163 -6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.949 10.224 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.838 8.516 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.761 10.407 -8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.144 10.073 -9.020 1.00 0.00 H new ATOM 785 N GLY A 56 -9.306 6.741 -6.100 1.00 0.00 N ATOM 786 CA GLY A 56 -9.270 5.359 -5.656 1.00 0.00 C ATOM 787 C GLY A 56 -10.340 4.510 -6.314 1.00 0.00 C ATOM 788 O GLY A 56 -11.240 5.033 -6.970 1.00 0.00 O ATOM 0 H GLY A 56 -9.944 6.926 -6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.290 4.936 -5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.398 5.325 -4.574 1.00 0.00 H new ATOM 792 N LYS A 57 -10.239 3.196 -6.140 1.00 0.00 N ATOM 793 CA LYS A 57 -11.205 2.272 -6.723 1.00 0.00 C ATOM 794 C LYS A 57 -11.986 1.539 -5.636 1.00 0.00 C ATOM 795 O LYS A 57 -13.175 1.262 -5.792 1.00 0.00 O ATOM 796 CB LYS A 57 -10.494 1.261 -7.625 1.00 0.00 C ATOM 797 CG LYS A 57 -11.433 0.512 -8.555 1.00 0.00 C ATOM 798 CD LYS A 57 -10.668 -0.240 -9.632 1.00 0.00 C ATOM 799 CE LYS A 57 -10.543 0.582 -10.904 1.00 0.00 C ATOM 800 NZ LYS A 57 -11.864 1.083 -11.373 1.00 0.00 N ATOM 0 H LYS A 57 -9.499 2.748 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.908 2.852 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.745 1.782 -8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.962 0.542 -7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.035 -0.190 -7.978 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.123 1.216 -9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.674 -0.495 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.176 -1.179 -9.853 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.877 1.426 -10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.087 -0.026 -11.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.864 1.142 -12.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.613 0.431 -11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.039 2.027 -10.973 1.00 0.00 H new ATOM 814 N ASN A 58 -11.309 1.225 -4.535 1.00 0.00 N ATOM 815 CA ASN A 58 -11.942 0.524 -3.424 1.00 0.00 C ATOM 816 C ASN A 58 -12.172 1.463 -2.246 1.00 0.00 C ATOM 817 O ASN A 58 -11.647 2.576 -2.215 1.00 0.00 O ATOM 818 CB ASN A 58 -11.080 -0.662 -2.985 1.00 0.00 C ATOM 819 CG ASN A 58 -10.898 -1.685 -4.089 1.00 0.00 C ATOM 820 OD1 ASN A 58 -11.550 -2.730 -4.095 1.00 0.00 O ATOM 821 ND2 ASN A 58 -10.010 -1.390 -5.031 1.00 0.00 N ATOM 0 H ASN A 58 -10.324 1.445 -4.389 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.910 0.156 -3.765 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.103 -0.299 -2.665 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.540 -1.142 -2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.846 -2.041 -5.799 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.492 -0.513 -4.987 1.00 0.00 H new ATOM 828 N ASP A 59 -12.961 1.009 -1.278 1.00 0.00 N ATOM 829 CA ASP A 59 -13.262 1.810 -0.097 1.00 0.00 C ATOM 830 C ASP A 59 -12.743 1.133 1.168 1.00 0.00 C ATOM 831 O ASP A 59 -13.299 1.312 2.253 1.00 0.00 O ATOM 832 CB ASP A 59 -14.771 2.040 0.018 1.00 0.00 C ATOM 833 CG ASP A 59 -15.305 2.929 -1.087 1.00 0.00 C ATOM 834 OD1 ASP A 59 -14.643 3.939 -1.409 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.386 2.617 -1.630 1.00 0.00 O ATOM 0 H ASP A 59 -13.404 0.090 -1.288 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.761 2.772 -0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.286 1.080 -0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.994 2.492 0.984 1.00 0.00 H new ATOM 840 N GLY A 60 -11.674 0.356 1.023 1.00 0.00 N ATOM 841 CA GLY A 60 -11.098 -0.333 2.163 1.00 0.00 C ATOM 842 C GLY A 60 -11.593 -1.761 2.290 1.00 0.00 C ATOM 843 O GLY A 60 -10.857 -2.643 2.734 1.00 0.00 O ATOM 0 H GLY A 60 -11.197 0.191 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.012 -0.335 2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.340 0.214 3.074 1.00 0.00 H new ATOM 847 N SER A 61 -12.844 -1.990 1.900 1.00 0.00 N ATOM 848 CA SER A 61 -13.436 -3.321 1.974 1.00 0.00 C ATOM 849 C SER A 61 -13.743 -3.858 0.580 1.00 0.00 C ATOM 850 O SER A 61 -14.155 -3.112 -0.307 1.00 0.00 O ATOM 851 CB SER A 61 -14.714 -3.287 2.813 1.00 0.00 C ATOM 852 OG SER A 61 -14.415 -3.237 4.197 1.00 0.00 O ATOM 0 H SER A 61 -13.466 -1.271 1.530 1.00 0.00 H new ATOM 0 HA SER A 61 -12.715 -3.986 2.449 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.312 -2.419 2.535 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.316 -4.170 2.600 1.00 0.00 H new ATOM 0 HG SER A 61 -15.249 -3.214 4.711 1.00 0.00 H new ATOM 858 N VAL A 62 -13.539 -5.158 0.395 1.00 0.00 N ATOM 859 CA VAL A 62 -13.795 -5.797 -0.890 1.00 0.00 C ATOM 860 C VAL A 62 -14.543 -7.113 -0.710 1.00 0.00 C ATOM 861 O VAL A 62 -13.994 -8.086 -0.195 1.00 0.00 O ATOM 862 CB VAL A 62 -12.485 -6.066 -1.654 1.00 0.00 C ATOM 863 CG1 VAL A 62 -12.779 -6.548 -3.067 1.00 0.00 C ATOM 864 CG2 VAL A 62 -11.615 -4.818 -1.679 1.00 0.00 C ATOM 0 H VAL A 62 -13.197 -5.790 1.119 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.410 -5.108 -1.469 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.938 -6.852 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.841 -6.733 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.358 -7.470 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.349 -5.787 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.694 -5.027 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.153 -4.009 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.374 -4.522 -0.658 1.00 0.00 H new ATOM 874 N GLY A 63 -15.801 -7.135 -1.138 1.00 0.00 N ATOM 875 CA GLY A 63 -16.606 -8.337 -1.015 1.00 0.00 C ATOM 876 C GLY A 63 -16.807 -8.755 0.428 1.00 0.00 C ATOM 877 O GLY A 63 -17.417 -8.028 1.213 1.00 0.00 O ATOM 0 H GLY A 63 -16.278 -6.342 -1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.577 -8.169 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.127 -9.149 -1.562 1.00 0.00 H new ATOM 881 N GLY A 64 -16.292 -9.929 0.779 1.00 0.00 N ATOM 882 CA GLY A 64 -16.428 -10.423 2.138 1.00 0.00 C ATOM 883 C GLY A 64 -15.117 -10.397 2.898 1.00 0.00 C ATOM 884 O GLY A 64 -14.901 -11.202 3.804 1.00 0.00 O ATOM 0 H GLY A 64 -15.783 -10.547 0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.164 -9.819 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.810 -11.443 2.114 1.00 0.00 H new ATOM 888 N VAL A 65 -14.240 -9.469 2.530 1.00 0.00 N ATOM 889 CA VAL A 65 -12.943 -9.342 3.184 1.00 0.00 C ATOM 890 C VAL A 65 -12.641 -7.887 3.527 1.00 0.00 C ATOM 891 O VAL A 65 -12.813 -6.994 2.698 1.00 0.00 O ATOM 892 CB VAL A 65 -11.810 -9.893 2.298 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.500 -9.936 3.069 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.170 -11.272 1.766 1.00 0.00 C ATOM 0 H VAL A 65 -14.404 -8.794 1.783 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.994 -9.927 4.102 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.681 -9.223 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.712 -10.328 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.236 -8.930 3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.612 -10.581 3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.358 -11.645 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.329 -11.954 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.082 -11.206 1.173 1.00 0.00 H new ATOM 904 N ARG A 66 -12.191 -7.656 4.756 1.00 0.00 N ATOM 905 CA ARG A 66 -11.864 -6.309 5.211 1.00 0.00 C ATOM 906 C ARG A 66 -10.371 -6.176 5.490 1.00 0.00 C ATOM 907 O ARG A 66 -9.790 -6.987 6.209 1.00 0.00 O ATOM 908 CB ARG A 66 -12.664 -5.964 6.468 1.00 0.00 C ATOM 909 CG ARG A 66 -12.876 -4.470 6.665 1.00 0.00 C ATOM 910 CD ARG A 66 -12.124 -3.948 7.880 1.00 0.00 C ATOM 911 NE ARG A 66 -13.027 -3.393 8.885 1.00 0.00 N ATOM 912 CZ ARG A 66 -13.721 -4.133 9.748 1.00 0.00 C ATOM 913 NH1 ARG A 66 -13.620 -5.457 9.730 1.00 0.00 N ATOM 914 NH2 ARG A 66 -14.520 -3.547 10.629 1.00 0.00 N ATOM 0 H ARG A 66 -12.044 -8.384 5.455 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.130 -5.610 4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.635 -6.457 6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.148 -6.367 7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.544 -3.935 5.775 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.940 -4.266 6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.543 -4.757 8.322 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.416 -3.181 7.566 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.132 -2.379 8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.008 -5.913 9.053 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.154 -6.018 10.393 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.603 -2.530 10.645 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.052 -4.113 11.290 1.00 0.00 H new ATOM 928 N TYR A 67 -9.757 -5.147 4.916 1.00 0.00 N ATOM 929 CA TYR A 67 -8.330 -4.906 5.102 1.00 0.00 C ATOM 930 C TYR A 67 -8.092 -3.601 5.854 1.00 0.00 C ATOM 931 O TYR A 67 -7.194 -3.511 6.692 1.00 0.00 O ATOM 932 CB TYR A 67 -7.617 -4.867 3.749 1.00 0.00 C ATOM 933 CG TYR A 67 -7.946 -6.043 2.858 1.00 0.00 C ATOM 934 CD1 TYR A 67 -7.379 -7.291 3.084 1.00 0.00 C ATOM 935 CD2 TYR A 67 -8.824 -5.905 1.789 1.00 0.00 C ATOM 936 CE1 TYR A 67 -7.677 -8.368 2.271 1.00 0.00 C ATOM 937 CE2 TYR A 67 -9.127 -6.977 0.972 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.551 -8.206 1.217 1.00 0.00 C ATOM 939 OH TYR A 67 -8.850 -9.277 0.405 1.00 0.00 O ATOM 0 H TYR A 67 -10.225 -4.466 4.318 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.923 -5.725 5.695 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.885 -3.945 3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.540 -4.838 3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.694 -7.422 3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.277 -4.944 1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.228 -9.332 2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.811 -6.853 0.146 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.482 -8.995 -0.289 1.00 0.00 H new ATOM 949 N PHE A 68 -8.901 -2.591 5.549 1.00 0.00 N ATOM 950 CA PHE A 68 -8.778 -1.290 6.196 1.00 0.00 C ATOM 951 C PHE A 68 -10.006 -0.429 5.924 1.00 0.00 C ATOM 952 O PHE A 68 -10.952 -0.868 5.269 1.00 0.00 O ATOM 953 CB PHE A 68 -7.519 -0.571 5.707 1.00 0.00 C ATOM 954 CG PHE A 68 -7.389 -0.537 4.211 1.00 0.00 C ATOM 955 CD1 PHE A 68 -6.829 -1.604 3.527 1.00 0.00 C ATOM 956 CD2 PHE A 68 -7.826 0.563 3.490 1.00 0.00 C ATOM 957 CE1 PHE A 68 -6.709 -1.575 2.151 1.00 0.00 C ATOM 958 CE2 PHE A 68 -7.708 0.597 2.114 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.149 -0.473 1.443 1.00 0.00 C ATOM 0 H PHE A 68 -9.649 -2.649 4.858 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.701 -1.453 7.271 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.524 0.451 6.086 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.643 -1.063 6.128 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.483 -2.468 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.264 1.403 4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.272 -2.413 1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.053 1.460 1.563 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.056 -0.448 0.367 1.00 0.00 H new ATOM 969 N ILE A 69 -9.987 0.798 6.434 1.00 0.00 N ATOM 970 CA ILE A 69 -11.099 1.722 6.247 1.00 0.00 C ATOM 971 C ILE A 69 -10.622 3.042 5.651 1.00 0.00 C ATOM 972 O ILE A 69 -9.718 3.686 6.186 1.00 0.00 O ATOM 973 CB ILE A 69 -11.824 2.004 7.576 1.00 0.00 C ATOM 974 CG1 ILE A 69 -12.141 0.694 8.298 1.00 0.00 C ATOM 975 CG2 ILE A 69 -13.096 2.800 7.328 1.00 0.00 C ATOM 976 CD1 ILE A 69 -12.469 0.876 9.764 1.00 0.00 C ATOM 0 H ILE A 69 -9.213 1.176 6.980 1.00 0.00 H new ATOM 0 HA ILE A 69 -11.794 1.245 5.557 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.166 2.597 8.212 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.983 0.210 7.803 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -11.288 0.022 8.206 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.597 2.991 8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.845 3.748 6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.759 2.232 6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -12.683 -0.094 10.212 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.619 1.331 10.273 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -13.341 1.522 9.864 1.00 0.00 H new ATOM 988 N CYS A 70 -11.235 3.442 4.542 1.00 0.00 N ATOM 989 CA CYS A 70 -10.872 4.687 3.874 1.00 0.00 C ATOM 990 C CYS A 70 -12.094 5.333 3.224 1.00 0.00 C ATOM 991 O CYS A 70 -13.004 4.639 2.769 1.00 0.00 O ATOM 992 CB CYS A 70 -9.796 4.429 2.819 1.00 0.00 C ATOM 993 SG CYS A 70 -10.300 3.284 1.513 1.00 0.00 S ATOM 0 H CYS A 70 -11.985 2.922 4.087 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.478 5.371 4.625 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.513 5.379 2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.908 4.033 3.311 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.846 3.950 0.539 1.00 0.00 H new ATOM 999 N PRO A 71 -12.131 6.676 3.172 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.250 7.411 2.572 1.00 0.00 C ATOM 1001 C PRO A 71 -13.555 6.946 1.151 1.00 0.00 C ATOM 1002 O PRO A 71 -12.815 6.146 0.578 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.761 8.862 2.564 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.751 8.929 3.657 1.00 0.00 C ATOM 1005 CD PRO A 71 -11.088 7.580 3.690 1.00 0.00 C ATOM 0 HA PRO A 71 -14.177 7.262 3.126 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.321 9.126 1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.582 9.557 2.741 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.023 9.717 3.468 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.224 9.155 4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.192 7.557 3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.784 7.306 4.700 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.656 7.442 0.561 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.057 7.073 -0.801 1.00 0.00 C ATOM 1015 C PRO A 72 -13.928 7.266 -1.808 1.00 0.00 C ATOM 1016 O PRO A 72 -13.439 8.379 -2.002 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.212 8.029 -1.105 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.764 8.394 0.229 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.595 8.402 1.173 1.00 0.00 C ATOM 0 HA PRO A 72 -15.329 6.020 -0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.865 8.910 -1.644 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -16.968 7.551 -1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.247 9.371 0.197 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.519 7.676 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.155 9.395 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.887 8.094 2.177 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.518 6.174 -2.446 1.00 0.00 N ATOM 1028 CA LYS A 73 -12.445 6.224 -3.433 1.00 0.00 C ATOM 1029 C LYS A 73 -11.152 6.734 -2.805 1.00 0.00 C ATOM 1030 O LYS A 73 -10.966 7.939 -2.636 1.00 0.00 O ATOM 1031 CB LYS A 73 -12.845 7.122 -4.605 1.00 0.00 C ATOM 1032 CG LYS A 73 -13.877 6.496 -5.527 1.00 0.00 C ATOM 1033 CD LYS A 73 -13.835 7.116 -6.914 1.00 0.00 C ATOM 1034 CE LYS A 73 -14.511 8.478 -6.936 1.00 0.00 C ATOM 1035 NZ LYS A 73 -15.995 8.364 -6.979 1.00 0.00 N ATOM 0 H LYS A 73 -13.912 5.245 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.275 5.212 -3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.240 8.060 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.955 7.368 -5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.697 5.424 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.872 6.623 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.799 7.218 -7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.327 6.453 -7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.216 9.043 -6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.165 9.040 -7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.416 9.315 -6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.279 7.847 -7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.328 7.850 -6.138 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.262 5.810 -2.460 1.00 0.00 N ATOM 1050 CA GLN A 74 -8.987 6.167 -1.850 1.00 0.00 C ATOM 1051 C GLN A 74 -8.075 4.948 -1.740 1.00 0.00 C ATOM 1052 O GLN A 74 -6.872 5.036 -1.988 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.214 6.781 -0.467 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.494 8.105 -0.264 1.00 0.00 C ATOM 1055 CD GLN A 74 -9.396 9.177 0.316 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -10.390 9.566 -0.295 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -9.051 9.661 1.504 1.00 0.00 N ATOM 0 H GLN A 74 -10.400 4.808 -2.592 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.499 6.903 -2.489 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.283 6.931 -0.316 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.881 6.075 0.294 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.643 7.953 0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.096 8.448 -1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.218 9.309 1.976 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.619 10.384 1.945 1.00 0.00 H new ATOM 1066 N GLY A 75 -8.655 3.813 -1.362 1.00 0.00 N ATOM 1067 CA GLY A 75 -7.880 2.594 -1.224 1.00 0.00 C ATOM 1068 C GLY A 75 -7.658 1.892 -2.548 1.00 0.00 C ATOM 1069 O GLY A 75 -8.607 1.640 -3.291 1.00 0.00 O ATOM 0 H GLY A 75 -9.648 3.716 -1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.915 2.830 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.392 1.918 -0.540 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.402 1.577 -2.846 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.059 0.899 -4.091 1.00 0.00 C ATOM 1075 C LEU A 76 -5.106 -0.264 -3.832 1.00 0.00 C ATOM 1076 O LEU A 76 -4.009 -0.077 -3.305 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.423 1.884 -5.073 1.00 0.00 C ATOM 1078 CG LEU A 76 -5.218 1.345 -6.490 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -5.455 2.440 -7.519 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -3.821 0.762 -6.640 1.00 0.00 C ATOM 0 H LEU A 76 -5.605 1.780 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.977 0.504 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.049 2.775 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.457 2.196 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.943 0.550 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.304 2.037 -8.520 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.476 2.811 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.755 3.258 -7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.692 0.383 -7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.080 1.538 -6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.689 -0.053 -5.928 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.534 -1.466 -4.206 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.719 -2.660 -4.016 1.00 0.00 C ATOM 1094 C PHE A 77 -3.707 -2.815 -5.146 1.00 0.00 C ATOM 1095 O PHE A 77 -4.073 -3.111 -6.284 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.608 -3.902 -3.937 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.619 -3.847 -2.827 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -6.276 -4.231 -1.541 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -7.910 -3.409 -3.069 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -7.203 -4.181 -0.517 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -8.842 -3.356 -2.050 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.488 -3.742 -0.772 1.00 0.00 C ATOM 0 H PHE A 77 -6.440 -1.638 -4.642 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.174 -2.552 -3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.129 -4.027 -4.886 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.978 -4.781 -3.801 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.272 -4.573 -1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.192 -3.105 -4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.923 -4.485 0.481 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -9.846 -3.013 -2.253 1.00 0.00 H new ATOM 0 HZ PHE A 77 -9.214 -3.701 0.026 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.434 -2.615 -4.826 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.368 -2.731 -5.814 1.00 0.00 C ATOM 1114 C ALA A 78 -0.330 -3.761 -5.383 1.00 0.00 C ATOM 1115 O ALA A 78 -0.428 -4.340 -4.301 1.00 0.00 O ATOM 1116 CB ALA A 78 -0.710 -1.379 -6.042 1.00 0.00 C ATOM 0 H ALA A 78 -2.114 -2.371 -3.889 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.810 -3.070 -6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.084 -1.481 -6.782 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.454 -0.669 -6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.288 -1.017 -5.104 1.00 0.00 H new ATOM 1122 N SER A 79 0.664 -3.984 -6.236 1.00 0.00 N ATOM 1123 CA SER A 79 1.722 -4.944 -5.943 1.00 0.00 C ATOM 1124 C SER A 79 2.974 -4.235 -5.437 1.00 0.00 C ATOM 1125 O SER A 79 3.362 -3.192 -5.962 1.00 0.00 O ATOM 1126 CB SER A 79 2.055 -5.765 -7.190 1.00 0.00 C ATOM 1127 OG SER A 79 0.902 -6.416 -7.696 1.00 0.00 O ATOM 0 H SER A 79 0.759 -3.513 -7.136 1.00 0.00 H new ATOM 0 HA SER A 79 1.364 -5.614 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.474 -5.113 -7.957 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.818 -6.505 -6.949 1.00 0.00 H new ATOM 0 HG SER A 79 1.142 -6.933 -8.494 1.00 0.00 H new ATOM 1133 N VAL A 80 3.600 -4.807 -4.414 1.00 0.00 N ATOM 1134 CA VAL A 80 4.809 -4.229 -3.837 1.00 0.00 C ATOM 1135 C VAL A 80 5.882 -4.015 -4.900 1.00 0.00 C ATOM 1136 O VAL A 80 6.702 -3.104 -4.793 1.00 0.00 O ATOM 1137 CB VAL A 80 5.379 -5.125 -2.721 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.491 -5.075 -1.488 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.540 -6.555 -3.214 1.00 0.00 C ATOM 0 H VAL A 80 3.291 -5.670 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 80 4.527 -3.265 -3.414 1.00 0.00 H new ATOM 0 HB VAL A 80 6.364 -4.747 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.911 -5.714 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.434 -4.050 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.491 -5.425 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.944 -7.173 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.570 -6.946 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.222 -6.572 -4.064 1.00 0.00 H new ATOM 1149 N SER A 81 5.871 -4.862 -5.924 1.00 0.00 N ATOM 1150 CA SER A 81 6.844 -4.767 -7.005 1.00 0.00 C ATOM 1151 C SER A 81 6.663 -3.472 -7.793 1.00 0.00 C ATOM 1152 O SER A 81 7.617 -2.944 -8.365 1.00 0.00 O ATOM 1153 CB SER A 81 6.713 -5.968 -7.944 1.00 0.00 C ATOM 1154 OG SER A 81 7.555 -7.031 -7.532 1.00 0.00 O ATOM 0 H SER A 81 5.199 -5.622 -6.028 1.00 0.00 H new ATOM 0 HA SER A 81 7.840 -4.765 -6.562 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.677 -6.307 -7.964 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.970 -5.669 -8.960 1.00 0.00 H new ATOM 0 HG SER A 81 7.452 -7.787 -8.147 1.00 0.00 H new ATOM 1160 N LYS A 82 5.434 -2.966 -7.824 1.00 0.00 N ATOM 1161 CA LYS A 82 5.132 -1.736 -8.546 1.00 0.00 C ATOM 1162 C LYS A 82 4.978 -0.557 -7.588 1.00 0.00 C ATOM 1163 O LYS A 82 4.253 0.395 -7.874 1.00 0.00 O ATOM 1164 CB LYS A 82 3.856 -1.905 -9.371 1.00 0.00 C ATOM 1165 CG LYS A 82 4.006 -2.877 -10.531 1.00 0.00 C ATOM 1166 CD LYS A 82 4.242 -2.147 -11.843 1.00 0.00 C ATOM 1167 CE LYS A 82 2.977 -1.465 -12.337 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.198 -2.339 -13.258 1.00 0.00 N ATOM 0 H LYS A 82 4.632 -3.389 -7.357 1.00 0.00 H new ATOM 0 HA LYS A 82 5.967 -1.527 -9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.055 -2.252 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.553 -0.933 -9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.838 -3.553 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.109 -3.491 -10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.029 -1.404 -11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.593 -2.853 -12.595 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.356 -1.191 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.240 -0.540 -12.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.343 -1.837 -13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.782 -2.580 -14.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.925 -3.211 -12.761 1.00 0.00 H new ATOM 1182 N ILE A 83 5.666 -0.626 -6.452 1.00 0.00 N ATOM 1183 CA ILE A 83 5.603 0.439 -5.457 1.00 0.00 C ATOM 1184 C ILE A 83 6.980 0.714 -4.861 1.00 0.00 C ATOM 1185 O ILE A 83 7.842 -0.162 -4.832 1.00 0.00 O ATOM 1186 CB ILE A 83 4.622 0.091 -4.320 1.00 0.00 C ATOM 1187 CG1 ILE A 83 3.256 -0.292 -4.894 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.485 1.263 -3.358 1.00 0.00 C ATOM 1189 CD1 ILE A 83 2.339 -0.949 -3.885 1.00 0.00 C ATOM 0 H ILE A 83 6.272 -1.406 -6.198 1.00 0.00 H new ATOM 0 HA ILE A 83 5.247 1.332 -5.971 1.00 0.00 H new ATOM 0 HB ILE A 83 5.018 -0.762 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.771 0.603 -5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.401 -0.969 -5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.789 1.000 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.459 1.496 -2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.109 2.133 -3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.389 -1.193 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.803 -1.862 -3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.163 -0.266 -3.054 1.00 0.00 H new ATOM 1201 N SER A 84 7.177 1.940 -4.387 1.00 0.00 N ATOM 1202 CA SER A 84 8.449 2.334 -3.790 1.00 0.00 C ATOM 1203 C SER A 84 8.229 3.030 -2.451 1.00 0.00 C ATOM 1204 O SER A 84 7.094 3.196 -2.005 1.00 0.00 O ATOM 1205 CB SER A 84 9.216 3.258 -4.738 1.00 0.00 C ATOM 1206 OG SER A 84 8.454 4.410 -5.055 1.00 0.00 O ATOM 0 H SER A 84 6.473 2.678 -4.404 1.00 0.00 H new ATOM 0 HA SER A 84 9.036 1.432 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.158 3.557 -4.277 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.465 2.720 -5.653 1.00 0.00 H new ATOM 0 HG SER A 84 7.500 4.185 -5.043 1.00 0.00 H new ATOM 1212 N LYS A 85 9.323 3.434 -1.813 1.00 0.00 N ATOM 1213 CA LYS A 85 9.251 4.112 -0.524 1.00 0.00 C ATOM 1214 C LYS A 85 9.163 5.624 -0.710 1.00 0.00 C ATOM 1215 O LYS A 85 9.947 6.214 -1.454 1.00 0.00 O ATOM 1216 CB LYS A 85 10.471 3.760 0.329 1.00 0.00 C ATOM 1217 CG LYS A 85 10.260 2.548 1.223 1.00 0.00 C ATOM 1218 CD LYS A 85 11.431 1.580 1.139 1.00 0.00 C ATOM 1219 CE LYS A 85 11.815 1.050 2.512 1.00 0.00 C ATOM 1220 NZ LYS A 85 12.782 -0.079 2.422 1.00 0.00 N ATOM 0 H LYS A 85 10.270 3.303 -2.168 1.00 0.00 H new ATOM 0 HA LYS A 85 8.350 3.774 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.321 3.573 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.730 4.618 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.130 2.874 2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.342 2.036 0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.170 0.747 0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.288 2.082 0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.251 1.855 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.919 0.719 3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.443 -0.873 3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.868 -0.385 1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.712 0.231 2.770 1.00 0.00 H new ATOM 1234 N ALA A 86 8.206 6.243 -0.028 1.00 0.00 N ATOM 1235 CA ALA A 86 8.016 7.686 -0.117 1.00 0.00 C ATOM 1236 C ALA A 86 8.444 8.378 1.174 1.00 0.00 C ATOM 1237 O ALA A 86 7.772 9.289 1.655 1.00 0.00 O ATOM 1238 CB ALA A 86 6.564 8.008 -0.434 1.00 0.00 C ATOM 0 H ALA A 86 7.550 5.768 0.592 1.00 0.00 H new ATOM 0 HA ALA A 86 8.645 8.061 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.436 9.089 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.290 7.554 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.923 7.613 0.354 1.00 0.00 H new