USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=12 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 Set 1.1: A 517 SER OG : rot 134:sc= 0.917 USER MOD Set 1.2: A 519 THR OG1 : rot 180:sc= 0.26 USER MOD Set 2.1: A 512 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 526 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 THR OG1 : rot 68:sc= 1.22 USER MOD Single : A 460 SER OG : rot 73:sc= 1.26 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -72:sc= 0.364 USER MOD Single : A 498 GLN : amide:sc= 0.44 X(o=0.44,f=-0.015) USER MOD Single : A 504 CYS SG : rot 71:sc= 0.626 USER MOD Single : A 514 CYS SG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0.652 USER MOD Single : A 521 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 523 LYS NZ :NH3+ -146:sc= 0.732 (180deg=0.337) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.057 13.813 -8.038 1.00 0.00 N ATOM 80 CA ARG A 441 -1.205 12.403 -8.439 1.00 0.00 C ATOM 81 C ARG A 441 -0.296 11.445 -7.653 1.00 0.00 C ATOM 82 O ARG A 441 -0.374 10.228 -7.838 1.00 0.00 O ATOM 83 CB ARG A 441 -0.994 12.235 -9.950 1.00 0.00 C ATOM 84 CG ARG A 441 -2.081 12.978 -10.739 1.00 0.00 C ATOM 85 CD ARG A 441 -2.196 12.480 -12.180 1.00 0.00 C ATOM 86 NE ARG A 441 -0.993 12.754 -12.978 1.00 0.00 N ATOM 87 CZ ARG A 441 -0.862 13.669 -13.934 1.00 0.00 C ATOM 88 NH1 ARG A 441 -1.841 14.474 -14.298 1.00 0.00 N ATOM 89 NH2 ARG A 441 0.295 13.791 -14.550 1.00 0.00 N ATOM 0 HA ARG A 441 -2.230 12.126 -8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -0.012 12.616 -10.229 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -1.011 11.176 -10.208 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.040 12.854 -10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.859 14.045 -10.743 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.385 11.407 -12.174 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.056 12.952 -12.655 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.172 12.182 -12.778 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.750 14.411 -13.840 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -1.689 15.160 -15.038 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.076 13.188 -14.292 1.00 0.00 H new ATOM 0 HH22 ARG A 441 0.410 14.488 -15.285 1.00 0.00 H new ATOM 103 N LYS A 442 0.563 11.968 -6.775 1.00 0.00 N ATOM 104 CA LYS A 442 1.314 11.169 -5.808 1.00 0.00 C ATOM 105 C LYS A 442 0.382 10.658 -4.689 1.00 0.00 C ATOM 106 O LYS A 442 -0.425 11.424 -4.164 1.00 0.00 O ATOM 107 CB LYS A 442 2.501 11.996 -5.278 1.00 0.00 C ATOM 108 CG LYS A 442 3.388 11.175 -4.323 1.00 0.00 C ATOM 109 CD LYS A 442 4.716 11.866 -3.975 1.00 0.00 C ATOM 110 CE LYS A 442 4.503 13.106 -3.097 1.00 0.00 C ATOM 111 NZ LYS A 442 5.793 13.723 -2.689 1.00 0.00 N ATOM 0 H LYS A 442 0.758 12.968 -6.716 1.00 0.00 H new ATOM 0 HA LYS A 442 1.724 10.281 -6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 442 3.100 12.350 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 442 2.127 12.878 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.836 10.982 -3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.599 10.207 -4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 442 5.367 11.162 -3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 442 5.226 12.155 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 442 3.906 13.838 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 442 3.936 12.829 -2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 5.607 14.558 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.352 13.033 -2.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 6.323 14.011 -3.536 1.00 0.00 H new ATOM 125 N VAL A 443 0.500 9.386 -4.304 1.00 0.00 N ATOM 126 CA VAL A 443 -0.274 8.772 -3.209 1.00 0.00 C ATOM 127 C VAL A 443 0.642 7.890 -2.358 1.00 0.00 C ATOM 128 O VAL A 443 1.192 6.906 -2.845 1.00 0.00 O ATOM 129 CB VAL A 443 -1.476 7.945 -3.731 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.308 7.398 -2.559 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.400 8.752 -4.659 1.00 0.00 C ATOM 0 H VAL A 443 1.147 8.736 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.679 9.580 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.049 7.125 -4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.147 6.820 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.683 6.757 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.684 8.228 -1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.223 8.120 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.798 9.611 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.835 9.098 -5.524 1.00 0.00 H new ATOM 141 N PHE A 444 0.791 8.240 -1.081 1.00 0.00 N ATOM 142 CA PHE A 444 1.496 7.441 -0.079 1.00 0.00 C ATOM 143 C PHE A 444 0.710 6.161 0.254 1.00 0.00 C ATOM 144 O PHE A 444 -0.509 6.211 0.425 1.00 0.00 O ATOM 145 CB PHE A 444 1.677 8.306 1.177 1.00 0.00 C ATOM 146 CG PHE A 444 2.169 7.562 2.406 1.00 0.00 C ATOM 147 CD1 PHE A 444 3.551 7.405 2.619 1.00 0.00 C ATOM 148 CD2 PHE A 444 1.253 7.016 3.333 1.00 0.00 C ATOM 149 CE1 PHE A 444 4.016 6.716 3.751 1.00 0.00 C ATOM 150 CE2 PHE A 444 1.722 6.305 4.452 1.00 0.00 C ATOM 151 CZ PHE A 444 3.104 6.156 4.661 1.00 0.00 C ATOM 0 H PHE A 444 0.415 9.110 -0.705 1.00 0.00 H new ATOM 0 HA PHE A 444 2.467 7.133 -0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.381 9.106 0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 444 0.724 8.778 1.415 1.00 0.00 H new ATOM 0 HD1 PHE A 444 4.256 7.815 1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 444 0.191 7.145 3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 444 5.078 6.616 3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 444 1.020 5.874 5.151 1.00 0.00 H new ATOM 0 HZ PHE A 444 3.465 5.611 5.521 1.00 0.00 H new ATOM 161 N VAL A 445 1.420 5.039 0.399 1.00 0.00 N ATOM 162 CA VAL A 445 0.884 3.741 0.841 1.00 0.00 C ATOM 163 C VAL A 445 1.797 3.167 1.921 1.00 0.00 C ATOM 164 O VAL A 445 2.956 2.866 1.643 1.00 0.00 O ATOM 165 CB VAL A 445 0.750 2.739 -0.325 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.184 1.384 0.138 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.158 3.310 -1.416 1.00 0.00 C ATOM 0 H VAL A 445 2.421 5.004 0.206 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.117 3.905 1.239 1.00 0.00 H new ATOM 0 HB VAL A 445 1.753 2.576 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.107 0.711 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.848 0.949 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.804 1.532 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.243 2.592 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.147 3.506 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.268 4.240 -1.794 1.00 0.00 H new ATOM 177 N GLY A 446 1.274 3.028 3.142 1.00 0.00 N ATOM 178 CA GLY A 446 2.014 2.585 4.332 1.00 0.00 C ATOM 179 C GLY A 446 1.513 1.266 4.913 1.00 0.00 C ATOM 180 O GLY A 446 0.310 1.009 4.939 1.00 0.00 O ATOM 0 H GLY A 446 0.293 3.226 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.068 2.481 4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 446 1.947 3.357 5.098 1.00 0.00 H new ATOM 184 N GLY A 447 2.440 0.444 5.414 1.00 0.00 N ATOM 185 CA GLY A 447 2.162 -0.876 6.000 1.00 0.00 C ATOM 186 C GLY A 447 2.303 -2.039 5.019 1.00 0.00 C ATOM 187 O GLY A 447 1.692 -3.088 5.228 1.00 0.00 O ATOM 0 H GLY A 447 3.432 0.682 5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.839 -1.039 6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.149 -0.876 6.403 1.00 0.00 H new ATOM 191 N LEU A 448 3.079 -1.861 3.943 1.00 0.00 N ATOM 192 CA LEU A 448 3.351 -2.882 2.924 1.00 0.00 C ATOM 193 C LEU A 448 4.026 -4.126 3.552 1.00 0.00 C ATOM 194 O LEU A 448 4.879 -3.954 4.433 1.00 0.00 O ATOM 195 CB LEU A 448 4.261 -2.271 1.835 1.00 0.00 C ATOM 196 CG LEU A 448 3.615 -1.166 0.973 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.680 -0.523 0.077 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.494 -1.714 0.076 1.00 0.00 C ATOM 0 H LEU A 448 3.549 -0.976 3.752 1.00 0.00 H new ATOM 0 HA LEU A 448 2.409 -3.205 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.148 -1.860 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.598 -3.071 1.176 1.00 0.00 H new ATOM 0 HG LEU A 448 3.185 -0.434 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 448 4.221 0.257 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.462 -0.086 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 448 5.114 -1.282 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 448 2.069 -0.901 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.901 -2.472 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.716 -2.158 0.697 1.00 0.00 H new ATOM 210 N PRO A 449 3.691 -5.360 3.108 1.00 0.00 N ATOM 211 CA PRO A 449 4.383 -6.581 3.524 1.00 0.00 C ATOM 212 C PRO A 449 5.906 -6.521 3.295 1.00 0.00 C ATOM 213 O PRO A 449 6.355 -5.814 2.390 1.00 0.00 O ATOM 214 CB PRO A 449 3.764 -7.709 2.697 1.00 0.00 C ATOM 215 CG PRO A 449 2.362 -7.202 2.375 1.00 0.00 C ATOM 216 CD PRO A 449 2.581 -5.697 2.223 1.00 0.00 C ATOM 0 HA PRO A 449 4.261 -6.730 4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.338 -7.900 1.790 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.732 -8.644 3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 449 1.969 -7.649 1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.655 -7.431 3.172 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.814 -5.439 1.190 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.683 -5.143 2.495 1.00 0.00 H new ATOM 224 N PRO A 450 6.712 -7.282 4.063 1.00 0.00 N ATOM 225 CA PRO A 450 8.173 -7.242 3.996 1.00 0.00 C ATOM 226 C PRO A 450 8.768 -7.977 2.777 1.00 0.00 C ATOM 227 O PRO A 450 9.991 -8.060 2.663 1.00 0.00 O ATOM 228 CB PRO A 450 8.633 -7.860 5.323 1.00 0.00 C ATOM 229 CG PRO A 450 7.545 -8.890 5.616 1.00 0.00 C ATOM 230 CD PRO A 450 6.282 -8.187 5.122 1.00 0.00 C ATOM 0 HA PRO A 450 8.526 -6.220 3.860 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.615 -8.324 5.233 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.705 -7.113 6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.721 -9.827 5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 450 7.488 -9.129 6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.556 -8.908 4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.799 -7.639 5.931 1.00 0.00 H new ATOM 238 N ASP A 451 7.938 -8.507 1.866 1.00 0.00 N ATOM 239 CA ASP A 451 8.366 -9.312 0.708 1.00 0.00 C ATOM 240 C ASP A 451 7.550 -9.000 -0.566 1.00 0.00 C ATOM 241 O ASP A 451 7.402 -9.846 -1.449 1.00 0.00 O ATOM 242 CB ASP A 451 8.346 -10.804 1.094 1.00 0.00 C ATOM 243 CG ASP A 451 9.198 -11.683 0.158 1.00 0.00 C ATOM 244 OD1 ASP A 451 10.385 -11.348 -0.072 1.00 0.00 O ATOM 245 OD2 ASP A 451 8.703 -12.743 -0.293 1.00 0.00 O ATOM 0 H ASP A 451 6.926 -8.386 1.914 1.00 0.00 H new ATOM 0 HA ASP A 451 9.389 -9.041 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.709 -10.914 2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.317 -11.162 1.082 1.00 0.00 H new ATOM 250 N ILE A 452 6.995 -7.784 -0.659 1.00 0.00 N ATOM 251 CA ILE A 452 6.283 -7.285 -1.848 1.00 0.00 C ATOM 252 C ILE A 452 7.198 -6.383 -2.692 1.00 0.00 C ATOM 253 O ILE A 452 7.936 -5.557 -2.156 1.00 0.00 O ATOM 254 CB ILE A 452 4.962 -6.596 -1.429 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.000 -6.543 -2.632 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.179 -5.195 -0.827 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.609 -6.010 -2.278 1.00 0.00 C ATOM 0 H ILE A 452 7.028 -7.106 0.102 1.00 0.00 H new ATOM 0 HA ILE A 452 6.011 -8.124 -2.488 1.00 0.00 H new ATOM 0 HB ILE A 452 4.517 -7.196 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.435 -5.913 -3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 452 3.901 -7.544 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.216 -4.764 -0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 452 5.807 -5.274 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.667 -4.555 -1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 452 1.985 -6.000 -3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.154 -6.653 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.697 -4.997 -1.886 1.00 0.00 H new ATOM 269 N ASP A 453 7.162 -6.544 -4.015 1.00 0.00 N ATOM 270 CA ASP A 453 8.043 -5.845 -4.960 1.00 0.00 C ATOM 271 C ASP A 453 7.304 -4.833 -5.851 1.00 0.00 C ATOM 272 O ASP A 453 6.073 -4.816 -5.908 1.00 0.00 O ATOM 273 CB ASP A 453 8.791 -6.876 -5.815 1.00 0.00 C ATOM 274 CG ASP A 453 7.883 -7.566 -6.844 1.00 0.00 C ATOM 275 OD1 ASP A 453 7.289 -8.617 -6.507 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.779 -7.044 -7.978 1.00 0.00 O ATOM 0 H ASP A 453 6.506 -7.177 -4.473 1.00 0.00 H new ATOM 0 HA ASP A 453 8.750 -5.261 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.613 -6.383 -6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.233 -7.630 -5.163 1.00 0.00 H new ATOM 281 N GLU A 454 8.079 -4.013 -6.568 1.00 0.00 N ATOM 282 CA GLU A 454 7.615 -2.948 -7.467 1.00 0.00 C ATOM 283 C GLU A 454 6.427 -3.348 -8.361 1.00 0.00 C ATOM 284 O GLU A 454 5.454 -2.599 -8.460 1.00 0.00 O ATOM 285 CB GLU A 454 8.791 -2.508 -8.358 1.00 0.00 C ATOM 286 CG GLU A 454 8.481 -1.248 -9.175 1.00 0.00 C ATOM 287 CD GLU A 454 9.683 -0.857 -10.042 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.579 -0.147 -9.530 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.737 -1.249 -11.232 1.00 0.00 O ATOM 0 H GLU A 454 9.097 -4.076 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 454 7.258 -2.137 -6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.665 -2.324 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.050 -3.321 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.611 -1.424 -9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.227 -0.427 -8.505 1.00 0.00 H new ATOM 296 N ASP A 455 6.477 -4.521 -9.000 1.00 0.00 N ATOM 297 CA ASP A 455 5.470 -4.947 -9.978 1.00 0.00 C ATOM 298 C ASP A 455 4.177 -5.438 -9.311 1.00 0.00 C ATOM 299 O ASP A 455 3.101 -5.300 -9.890 1.00 0.00 O ATOM 300 CB ASP A 455 6.071 -6.030 -10.885 1.00 0.00 C ATOM 301 CG ASP A 455 5.179 -6.334 -12.101 1.00 0.00 C ATOM 302 OD1 ASP A 455 5.022 -5.442 -12.969 1.00 0.00 O ATOM 303 OD2 ASP A 455 4.672 -7.477 -12.208 1.00 0.00 O ATOM 0 H ASP A 455 7.220 -5.205 -8.853 1.00 0.00 H new ATOM 0 HA ASP A 455 5.192 -4.081 -10.579 1.00 0.00 H new ATOM 0 HB2 ASP A 455 7.054 -5.708 -11.229 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.219 -6.943 -10.308 1.00 0.00 H new ATOM 308 N GLU A 456 4.264 -5.934 -8.074 1.00 0.00 N ATOM 309 CA GLU A 456 3.102 -6.288 -7.252 1.00 0.00 C ATOM 310 C GLU A 456 2.470 -5.049 -6.608 1.00 0.00 C ATOM 311 O GLU A 456 1.244 -4.944 -6.569 1.00 0.00 O ATOM 312 CB GLU A 456 3.486 -7.287 -6.155 1.00 0.00 C ATOM 313 CG GLU A 456 3.815 -8.685 -6.685 1.00 0.00 C ATOM 314 CD GLU A 456 2.596 -9.395 -7.294 1.00 0.00 C ATOM 315 OE1 GLU A 456 1.705 -9.836 -6.530 1.00 0.00 O ATOM 316 OE2 GLU A 456 2.530 -9.546 -8.537 1.00 0.00 O ATOM 0 H GLU A 456 5.155 -6.104 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 456 2.372 -6.748 -7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.348 -6.902 -5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 456 2.666 -7.362 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 456 4.598 -8.607 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.214 -9.292 -5.872 1.00 0.00 H new ATOM 323 N ILE A 457 3.272 -4.075 -6.160 1.00 0.00 N ATOM 324 CA ILE A 457 2.758 -2.775 -5.688 1.00 0.00 C ATOM 325 C ILE A 457 2.074 -2.035 -6.851 1.00 0.00 C ATOM 326 O ILE A 457 1.027 -1.421 -6.647 1.00 0.00 O ATOM 327 CB ILE A 457 3.871 -1.920 -5.029 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.557 -2.639 -3.840 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.277 -0.590 -4.519 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.930 -2.044 -3.496 1.00 0.00 C ATOM 0 H ILE A 457 4.287 -4.160 -6.113 1.00 0.00 H new ATOM 0 HA ILE A 457 2.015 -2.956 -4.911 1.00 0.00 H new ATOM 0 HB ILE A 457 4.624 -1.745 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.911 -2.580 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.674 -3.696 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 457 4.064 0.006 -4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.848 -0.039 -5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.499 -0.797 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.362 -2.588 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.589 -2.127 -4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.815 -0.994 -3.228 1.00 0.00 H new ATOM 342 N THR A 458 2.594 -2.162 -8.079 1.00 0.00 N ATOM 343 CA THR A 458 1.958 -1.628 -9.292 1.00 0.00 C ATOM 344 C THR A 458 0.676 -2.382 -9.608 1.00 0.00 C ATOM 345 O THR A 458 -0.365 -1.746 -9.719 1.00 0.00 O ATOM 346 CB THR A 458 2.926 -1.637 -10.485 1.00 0.00 C ATOM 347 OG1 THR A 458 4.102 -0.937 -10.149 1.00 0.00 O ATOM 348 CG2 THR A 458 2.336 -0.945 -11.714 1.00 0.00 C ATOM 0 H THR A 458 3.475 -2.642 -8.261 1.00 0.00 H new ATOM 0 HA THR A 458 1.694 -0.588 -9.101 1.00 0.00 H new ATOM 0 HB THR A 458 3.125 -2.683 -10.716 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.595 -1.435 -9.464 1.00 0.00 H new ATOM 0 HG21 THR A 458 3.057 -0.977 -12.531 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.422 -1.457 -12.016 1.00 0.00 H new ATOM 0 HG23 THR A 458 2.107 0.093 -11.472 1.00 0.00 H new ATOM 356 N ALA A 459 0.703 -3.712 -9.706 1.00 0.00 N ATOM 357 CA ALA A 459 -0.483 -4.512 -10.031 1.00 0.00 C ATOM 358 C ALA A 459 -1.610 -4.377 -8.987 1.00 0.00 C ATOM 359 O ALA A 459 -2.788 -4.439 -9.343 1.00 0.00 O ATOM 360 CB ALA A 459 -0.059 -5.975 -10.209 1.00 0.00 C ATOM 0 H ALA A 459 1.547 -4.267 -9.563 1.00 0.00 H new ATOM 0 HA ALA A 459 -0.904 -4.130 -10.961 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.933 -6.580 -10.451 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.668 -6.047 -11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.390 -6.339 -9.285 1.00 0.00 H new ATOM 366 N SER A 460 -1.270 -4.127 -7.721 1.00 0.00 N ATOM 367 CA SER A 460 -2.241 -3.872 -6.648 1.00 0.00 C ATOM 368 C SER A 460 -3.057 -2.582 -6.846 1.00 0.00 C ATOM 369 O SER A 460 -4.188 -2.506 -6.358 1.00 0.00 O ATOM 370 CB SER A 460 -1.536 -3.806 -5.286 1.00 0.00 C ATOM 371 OG SER A 460 -0.938 -5.045 -4.937 1.00 0.00 O ATOM 0 H SER A 460 -0.301 -4.095 -7.405 1.00 0.00 H new ATOM 0 HA SER A 460 -2.939 -4.709 -6.682 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.772 -3.029 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 460 -2.256 -3.522 -4.518 1.00 0.00 H new ATOM 0 HG SER A 460 -0.141 -5.190 -5.488 1.00 0.00 H new ATOM 377 N PHE A 461 -2.528 -1.592 -7.583 1.00 0.00 N ATOM 378 CA PHE A 461 -3.195 -0.303 -7.818 1.00 0.00 C ATOM 379 C PHE A 461 -3.448 -0.007 -9.309 1.00 0.00 C ATOM 380 O PHE A 461 -4.173 0.934 -9.632 1.00 0.00 O ATOM 381 CB PHE A 461 -2.402 0.798 -7.099 1.00 0.00 C ATOM 382 CG PHE A 461 -2.475 0.723 -5.579 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.578 -0.090 -4.861 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.423 1.485 -4.872 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.621 -0.147 -3.458 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.456 1.445 -3.464 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.562 0.625 -2.756 1.00 0.00 C ATOM 0 H PHE A 461 -1.617 -1.665 -8.036 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.199 -0.343 -7.395 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.358 0.738 -7.406 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.774 1.770 -7.423 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.847 -0.678 -5.396 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.127 2.102 -5.410 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.933 -0.782 -2.920 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.173 2.048 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.598 0.588 -1.677 1.00 0.00 H new ATOM 397 N ARG A 462 -2.965 -0.859 -10.227 1.00 0.00 N ATOM 398 CA ARG A 462 -3.226 -0.780 -11.675 1.00 0.00 C ATOM 399 C ARG A 462 -4.719 -0.886 -12.028 1.00 0.00 C ATOM 400 O ARG A 462 -5.142 -0.356 -13.059 1.00 0.00 O ATOM 401 CB ARG A 462 -2.382 -1.850 -12.400 1.00 0.00 C ATOM 402 CG ARG A 462 -2.492 -1.845 -13.934 1.00 0.00 C ATOM 403 CD ARG A 462 -2.072 -0.502 -14.545 1.00 0.00 C ATOM 404 NE ARG A 462 -2.331 -0.444 -15.995 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.491 -0.170 -16.585 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.608 0.014 -15.908 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.543 -0.079 -17.895 1.00 0.00 N ATOM 0 H ARG A 462 -2.365 -1.645 -9.976 1.00 0.00 H new ATOM 0 HA ARG A 462 -2.926 0.210 -12.019 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.336 -1.711 -12.127 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.679 -2.833 -12.034 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -1.867 -2.639 -14.343 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.519 -2.067 -14.223 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.611 0.305 -14.049 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.010 -0.337 -14.360 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.539 -0.634 -16.609 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.604 -0.052 -14.890 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.476 0.222 -16.402 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -2.698 -0.218 -18.450 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.428 0.131 -18.357 1.00 0.00 H new ATOM 421 N ARG A 463 -5.526 -1.477 -11.136 1.00 0.00 N ATOM 422 CA ARG A 463 -6.999 -1.508 -11.165 1.00 0.00 C ATOM 423 C ARG A 463 -7.675 -0.122 -11.276 1.00 0.00 C ATOM 424 O ARG A 463 -8.821 -0.041 -11.719 1.00 0.00 O ATOM 425 CB ARG A 463 -7.509 -2.266 -9.923 1.00 0.00 C ATOM 426 CG ARG A 463 -7.080 -1.611 -8.596 1.00 0.00 C ATOM 427 CD ARG A 463 -7.572 -2.375 -7.365 1.00 0.00 C ATOM 428 NE ARG A 463 -9.015 -2.177 -7.132 1.00 0.00 N ATOM 429 CZ ARG A 463 -9.689 -2.538 -6.047 1.00 0.00 C ATOM 430 NH1 ARG A 463 -9.113 -3.169 -5.043 1.00 0.00 N ATOM 431 NH2 ARG A 463 -10.973 -2.263 -5.954 1.00 0.00 N ATOM 0 H ARG A 463 -5.150 -1.975 -10.329 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.281 -2.026 -12.082 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.597 -2.320 -9.959 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.138 -3.290 -9.952 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.992 -1.545 -8.565 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -7.463 -0.591 -8.560 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -7.368 -3.438 -7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.015 -2.046 -6.488 1.00 0.00 H new ATOM 0 HE ARG A 463 -9.545 -1.720 -7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.119 -3.394 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -9.661 -3.432 -4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -11.446 -1.774 -6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -11.495 -2.539 -5.122 1.00 0.00 H new ATOM 445 N PHE A 464 -6.975 0.957 -10.905 1.00 0.00 N ATOM 446 CA PHE A 464 -7.464 2.342 -10.946 1.00 0.00 C ATOM 447 C PHE A 464 -7.023 3.116 -12.204 1.00 0.00 C ATOM 448 O PHE A 464 -7.489 4.234 -12.426 1.00 0.00 O ATOM 449 CB PHE A 464 -6.986 3.045 -9.664 1.00 0.00 C ATOM 450 CG PHE A 464 -7.443 2.366 -8.384 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.817 2.182 -8.136 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.502 1.855 -7.468 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.246 1.488 -6.993 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.931 1.143 -6.335 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.303 0.967 -6.090 1.00 0.00 C ATOM 0 H PHE A 464 -6.019 0.888 -10.556 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.553 2.323 -10.999 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.897 3.091 -9.671 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.348 4.073 -9.668 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.545 2.577 -8.829 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.447 2.011 -7.637 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.302 1.354 -6.808 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.204 0.730 -5.651 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.632 0.433 -5.211 1.00 0.00 H new ATOM 465 N GLY A 465 -6.143 2.531 -13.025 1.00 0.00 N ATOM 466 CA GLY A 465 -5.463 3.168 -14.162 1.00 0.00 C ATOM 467 C GLY A 465 -3.934 3.035 -14.070 1.00 0.00 C ATOM 468 O GLY A 465 -3.428 2.552 -13.053 1.00 0.00 O ATOM 0 H GLY A 465 -5.872 1.554 -12.910 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.810 2.716 -15.091 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.733 4.223 -14.200 1.00 0.00 H new ATOM 472 N PRO A 466 -3.189 3.419 -15.124 1.00 0.00 N ATOM 473 CA PRO A 466 -1.736 3.272 -15.186 1.00 0.00 C ATOM 474 C PRO A 466 -1.014 4.204 -14.203 1.00 0.00 C ATOM 475 O PRO A 466 -1.490 5.296 -13.881 1.00 0.00 O ATOM 476 CB PRO A 466 -1.354 3.537 -16.647 1.00 0.00 C ATOM 477 CG PRO A 466 -2.483 4.427 -17.162 1.00 0.00 C ATOM 478 CD PRO A 466 -3.703 3.946 -16.382 1.00 0.00 C ATOM 0 HA PRO A 466 -1.425 2.273 -14.880 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -0.386 4.033 -16.724 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -1.283 2.610 -17.217 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.279 5.481 -16.976 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.624 4.314 -18.237 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.402 4.764 -16.207 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.243 3.178 -16.936 1.00 0.00 H new ATOM 486 N LEU A 467 0.152 3.747 -13.732 1.00 0.00 N ATOM 487 CA LEU A 467 0.943 4.366 -12.665 1.00 0.00 C ATOM 488 C LEU A 467 2.416 3.911 -12.686 1.00 0.00 C ATOM 489 O LEU A 467 2.773 2.963 -13.389 1.00 0.00 O ATOM 490 CB LEU A 467 0.288 4.081 -11.284 1.00 0.00 C ATOM 491 CG LEU A 467 0.439 2.647 -10.721 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.212 2.662 -9.206 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.544 1.647 -11.344 1.00 0.00 C ATOM 0 H LEU A 467 0.587 2.901 -14.100 1.00 0.00 H new ATOM 0 HA LEU A 467 0.950 5.442 -12.840 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.709 4.777 -10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.776 4.306 -11.360 1.00 0.00 H new ATOM 0 HG LEU A 467 1.449 2.323 -10.971 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.319 1.651 -8.812 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.947 3.315 -8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.791 3.031 -8.992 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.386 0.661 -10.907 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.566 1.971 -11.148 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.379 1.597 -12.420 1.00 0.00 H new ATOM 505 N VAL A 468 3.249 4.551 -11.861 1.00 0.00 N ATOM 506 CA VAL A 468 4.623 4.126 -11.524 1.00 0.00 C ATOM 507 C VAL A 468 4.818 4.204 -9.999 1.00 0.00 C ATOM 508 O VAL A 468 4.047 4.884 -9.324 1.00 0.00 O ATOM 509 CB VAL A 468 5.693 4.914 -12.328 1.00 0.00 C ATOM 510 CG1 VAL A 468 6.032 6.299 -11.783 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.978 4.091 -12.480 1.00 0.00 C ATOM 0 H VAL A 468 2.981 5.414 -11.388 1.00 0.00 H new ATOM 0 HA VAL A 468 4.764 3.088 -11.825 1.00 0.00 H new ATOM 0 HB VAL A 468 5.228 5.085 -13.299 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.788 6.764 -12.416 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.134 6.917 -11.776 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.416 6.206 -10.767 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.712 4.664 -13.046 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.381 3.860 -11.494 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.756 3.164 -13.008 1.00 0.00 H new ATOM 521 N VAL A 469 5.810 3.496 -9.446 1.00 0.00 N ATOM 522 CA VAL A 469 5.995 3.321 -7.990 1.00 0.00 C ATOM 523 C VAL A 469 7.450 3.598 -7.586 1.00 0.00 C ATOM 524 O VAL A 469 8.387 3.140 -8.242 1.00 0.00 O ATOM 525 CB VAL A 469 5.566 1.901 -7.545 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.706 1.704 -6.026 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.104 1.607 -7.935 1.00 0.00 C ATOM 0 H VAL A 469 6.521 3.019 -10.001 1.00 0.00 H new ATOM 0 HA VAL A 469 5.357 4.044 -7.482 1.00 0.00 H new ATOM 0 HB VAL A 469 6.235 1.212 -8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.394 0.694 -5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.746 1.851 -5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.077 2.427 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.835 0.603 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.447 2.333 -7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 469 3.995 1.678 -9.017 1.00 0.00 H new ATOM 537 N ASP A 470 7.629 4.341 -6.489 1.00 0.00 N ATOM 538 CA ASP A 470 8.918 4.811 -5.960 1.00 0.00 C ATOM 539 C ASP A 470 8.894 4.916 -4.420 1.00 0.00 C ATOM 540 O ASP A 470 7.825 4.932 -3.810 1.00 0.00 O ATOM 541 CB ASP A 470 9.241 6.164 -6.620 1.00 0.00 C ATOM 542 CG ASP A 470 10.643 6.684 -6.267 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.625 5.941 -6.495 1.00 0.00 O ATOM 544 OD2 ASP A 470 10.754 7.831 -5.775 1.00 0.00 O ATOM 0 H ASP A 470 6.842 4.647 -5.917 1.00 0.00 H new ATOM 0 HA ASP A 470 9.701 4.091 -6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 470 9.159 6.063 -7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 470 8.498 6.899 -6.311 1.00 0.00 H new ATOM 786 N GLY A 485 8.834 -0.258 4.534 1.00 0.00 N ATOM 787 CA GLY A 485 7.448 -0.701 4.781 1.00 0.00 C ATOM 788 C GLY A 485 6.385 0.225 4.178 1.00 0.00 C ATOM 789 O GLY A 485 5.208 0.106 4.512 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.318 -1.703 4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 485 7.286 -0.773 5.856 1.00 0.00 H new ATOM 793 N TYR A 486 6.780 1.143 3.293 1.00 0.00 N ATOM 794 CA TYR A 486 5.904 2.117 2.637 1.00 0.00 C ATOM 795 C TYR A 486 6.467 2.585 1.283 1.00 0.00 C ATOM 796 O TYR A 486 7.670 2.478 1.032 1.00 0.00 O ATOM 797 CB TYR A 486 5.612 3.300 3.581 1.00 0.00 C ATOM 798 CG TYR A 486 6.775 4.207 3.936 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.194 5.211 3.039 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.376 4.113 5.207 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.209 6.115 3.407 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.389 5.014 5.582 1.00 0.00 C ATOM 803 CZ TYR A 486 8.814 6.016 4.681 1.00 0.00 C ATOM 804 OH TYR A 486 9.793 6.888 5.052 1.00 0.00 O ATOM 0 H TYR A 486 7.754 1.232 3.003 1.00 0.00 H new ATOM 0 HA TYR A 486 4.959 1.621 2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 486 4.833 3.912 3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.201 2.899 4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.734 5.287 2.065 1.00 0.00 H new ATOM 0 HD2 TYR A 486 7.057 3.345 5.897 1.00 0.00 H new ATOM 0 HE1 TYR A 486 8.525 6.883 2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 486 8.842 4.940 6.559 1.00 0.00 H new ATOM 0 HH TYR A 486 10.095 6.674 5.960 1.00 0.00 H new ATOM 814 N ALA A 487 5.598 3.119 0.420 1.00 0.00 N ATOM 815 CA ALA A 487 5.941 3.605 -0.915 1.00 0.00 C ATOM 816 C ALA A 487 4.993 4.724 -1.376 1.00 0.00 C ATOM 817 O ALA A 487 3.963 4.991 -0.749 1.00 0.00 O ATOM 818 CB ALA A 487 5.936 2.414 -1.890 1.00 0.00 C ATOM 0 H ALA A 487 4.608 3.227 0.640 1.00 0.00 H new ATOM 0 HA ALA A 487 6.937 4.046 -0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.190 2.762 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.669 1.675 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.945 1.960 -1.905 1.00 0.00 H new ATOM 824 N PHE A 488 5.347 5.350 -2.496 1.00 0.00 N ATOM 825 CA PHE A 488 4.597 6.400 -3.171 1.00 0.00 C ATOM 826 C PHE A 488 4.228 5.943 -4.587 1.00 0.00 C ATOM 827 O PHE A 488 5.092 5.708 -5.435 1.00 0.00 O ATOM 828 CB PHE A 488 5.434 7.686 -3.210 1.00 0.00 C ATOM 829 CG PHE A 488 5.672 8.324 -1.855 1.00 0.00 C ATOM 830 CD1 PHE A 488 4.721 9.213 -1.318 1.00 0.00 C ATOM 831 CD2 PHE A 488 6.851 8.045 -1.139 1.00 0.00 C ATOM 832 CE1 PHE A 488 4.961 9.838 -0.082 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.083 8.658 0.105 1.00 0.00 C ATOM 834 CZ PHE A 488 6.140 9.559 0.632 1.00 0.00 C ATOM 0 H PHE A 488 6.215 5.123 -2.982 1.00 0.00 H new ATOM 0 HA PHE A 488 3.676 6.604 -2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.398 7.463 -3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 488 4.935 8.409 -3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 488 3.807 9.415 -1.856 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.579 7.359 -1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.239 10.533 0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 488 7.985 8.437 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.321 10.036 1.584 1.00 0.00 H new ATOM 844 N LEU A 489 2.923 5.841 -4.836 1.00 0.00 N ATOM 845 CA LEU A 489 2.332 5.641 -6.156 1.00 0.00 C ATOM 846 C LEU A 489 2.267 6.989 -6.875 1.00 0.00 C ATOM 847 O LEU A 489 1.931 7.995 -6.247 1.00 0.00 O ATOM 848 CB LEU A 489 0.899 5.093 -6.012 1.00 0.00 C ATOM 849 CG LEU A 489 0.695 3.913 -5.044 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.799 3.585 -5.007 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.502 2.668 -5.424 1.00 0.00 C ATOM 0 H LEU A 489 2.224 5.898 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 489 2.939 4.932 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.255 5.911 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.553 4.785 -6.999 1.00 0.00 H new ATOM 0 HG LEU A 489 1.060 4.214 -4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -0.972 2.751 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.354 4.456 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.137 3.314 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.311 1.876 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.205 2.331 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.565 2.910 -5.425 1.00 0.00 H new ATOM 863 N LEU A 490 2.518 6.998 -8.182 1.00 0.00 N ATOM 864 CA LEU A 490 2.341 8.142 -9.077 1.00 0.00 C ATOM 865 C LEU A 490 1.409 7.711 -10.215 1.00 0.00 C ATOM 866 O LEU A 490 1.827 6.946 -11.089 1.00 0.00 O ATOM 867 CB LEU A 490 3.704 8.570 -9.657 1.00 0.00 C ATOM 868 CG LEU A 490 4.857 8.870 -8.684 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.104 9.195 -9.520 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.523 10.029 -7.739 1.00 0.00 C ATOM 0 H LEU A 490 2.866 6.172 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 490 1.915 8.985 -8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 490 4.038 7.783 -10.333 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.541 9.462 -10.262 1.00 0.00 H new ATOM 0 HG LEU A 490 5.033 7.999 -8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 490 6.941 9.413 -8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.353 8.341 -10.149 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.905 10.063 -10.149 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.365 10.207 -7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.327 10.929 -8.322 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.640 9.777 -7.152 1.00 0.00 H new ATOM 882 N PHE A 491 0.156 8.172 -10.203 1.00 0.00 N ATOM 883 CA PHE A 491 -0.838 7.836 -11.230 1.00 0.00 C ATOM 884 C PHE A 491 -0.719 8.746 -12.465 1.00 0.00 C ATOM 885 O PHE A 491 -0.233 9.876 -12.380 1.00 0.00 O ATOM 886 CB PHE A 491 -2.247 7.887 -10.621 1.00 0.00 C ATOM 887 CG PHE A 491 -2.527 6.795 -9.602 1.00 0.00 C ATOM 888 CD1 PHE A 491 -3.050 5.552 -10.013 1.00 0.00 C ATOM 889 CD2 PHE A 491 -2.266 7.020 -8.236 1.00 0.00 C ATOM 890 CE1 PHE A 491 -3.308 4.546 -9.066 1.00 0.00 C ATOM 891 CE2 PHE A 491 -2.543 6.018 -7.288 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.068 4.783 -7.703 1.00 0.00 C ATOM 0 H PHE A 491 -0.201 8.793 -9.477 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.644 6.822 -11.579 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.390 8.857 -10.145 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -2.980 7.815 -11.424 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -3.253 5.372 -11.058 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -1.852 7.965 -7.916 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -3.692 3.589 -9.387 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -2.352 6.199 -6.240 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.287 4.016 -6.974 1.00 0.00 H new ATOM 902 N GLN A 492 -1.191 8.263 -13.619 1.00 0.00 N ATOM 903 CA GLN A 492 -1.150 9.006 -14.887 1.00 0.00 C ATOM 904 C GLN A 492 -2.256 10.075 -14.999 1.00 0.00 C ATOM 905 O GLN A 492 -2.075 11.062 -15.713 1.00 0.00 O ATOM 906 CB GLN A 492 -1.233 7.992 -16.040 1.00 0.00 C ATOM 907 CG GLN A 492 -0.880 8.592 -17.412 1.00 0.00 C ATOM 908 CD GLN A 492 -0.875 7.531 -18.514 1.00 0.00 C ATOM 909 OE1 GLN A 492 -1.852 7.326 -19.226 1.00 0.00 O ATOM 910 NE2 GLN A 492 0.212 6.809 -18.701 1.00 0.00 N ATOM 0 H GLN A 492 -1.616 7.339 -13.702 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.212 9.560 -14.934 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -0.559 7.161 -15.832 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -2.242 7.582 -16.081 1.00 0.00 H new ATOM 0 HG2 GLN A 492 -1.598 9.372 -17.663 1.00 0.00 H new ATOM 0 HG3 GLN A 492 0.100 9.066 -17.360 1.00 0.00 H new ATOM 0 HE21 GLN A 492 1.035 6.965 -18.118 1.00 0.00 H new ATOM 0 HE22 GLN A 492 0.231 6.094 -19.428 1.00 0.00 H new ATOM 919 N GLU A 493 -3.374 9.917 -14.280 1.00 0.00 N ATOM 920 CA GLU A 493 -4.530 10.824 -14.297 1.00 0.00 C ATOM 921 C GLU A 493 -5.144 10.946 -12.895 1.00 0.00 C ATOM 922 O GLU A 493 -5.225 9.964 -12.155 1.00 0.00 O ATOM 923 CB GLU A 493 -5.604 10.324 -15.282 1.00 0.00 C ATOM 924 CG GLU A 493 -5.152 10.334 -16.748 1.00 0.00 C ATOM 925 CD GLU A 493 -6.322 10.005 -17.687 1.00 0.00 C ATOM 926 OE1 GLU A 493 -6.583 8.805 -17.942 1.00 0.00 O ATOM 927 OE2 GLU A 493 -6.985 10.945 -18.186 1.00 0.00 O ATOM 0 H GLU A 493 -3.504 9.127 -13.648 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.178 11.803 -14.621 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -5.892 9.309 -15.007 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.494 10.946 -15.181 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -4.743 11.313 -17.000 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.352 9.608 -16.890 1.00 0.00 H new ATOM 934 N GLU A 494 -5.592 12.150 -12.527 1.00 0.00 N ATOM 935 CA GLU A 494 -6.179 12.443 -11.210 1.00 0.00 C ATOM 936 C GLU A 494 -7.411 11.567 -10.922 1.00 0.00 C ATOM 937 O GLU A 494 -7.623 11.132 -9.788 1.00 0.00 O ATOM 938 CB GLU A 494 -6.569 13.931 -11.096 1.00 0.00 C ATOM 939 CG GLU A 494 -5.417 14.926 -11.313 1.00 0.00 C ATOM 940 CD GLU A 494 -5.247 15.321 -12.788 1.00 0.00 C ATOM 941 OE1 GLU A 494 -4.574 14.571 -13.533 1.00 0.00 O ATOM 942 OE2 GLU A 494 -5.782 16.375 -13.204 1.00 0.00 O ATOM 0 H GLU A 494 -5.558 12.963 -13.143 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.414 12.213 -10.469 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -7.353 14.142 -11.824 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.996 14.104 -10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -5.599 15.822 -10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.488 14.486 -10.949 1.00 0.00 H new ATOM 949 N SER A 495 -8.178 11.221 -11.956 1.00 0.00 N ATOM 950 CA SER A 495 -9.319 10.300 -11.881 1.00 0.00 C ATOM 951 C SER A 495 -8.950 8.929 -11.292 1.00 0.00 C ATOM 952 O SER A 495 -9.776 8.303 -10.633 1.00 0.00 O ATOM 953 CB SER A 495 -9.923 10.106 -13.281 1.00 0.00 C ATOM 954 OG SER A 495 -10.225 11.356 -13.893 1.00 0.00 O ATOM 0 H SER A 495 -8.021 11.582 -12.897 1.00 0.00 H new ATOM 0 HA SER A 495 -10.045 10.755 -11.208 1.00 0.00 H new ATOM 0 HB2 SER A 495 -9.224 9.552 -13.907 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.830 9.506 -13.208 1.00 0.00 H new ATOM 0 HG SER A 495 -10.606 11.201 -14.783 1.00 0.00 H new ATOM 960 N SER A 496 -7.700 8.474 -11.440 1.00 0.00 N ATOM 961 CA SER A 496 -7.219 7.230 -10.826 1.00 0.00 C ATOM 962 C SER A 496 -7.011 7.371 -9.309 1.00 0.00 C ATOM 963 O SER A 496 -7.201 6.405 -8.571 1.00 0.00 O ATOM 964 CB SER A 496 -5.900 6.794 -11.476 1.00 0.00 C ATOM 965 OG SER A 496 -5.994 6.708 -12.892 1.00 0.00 O ATOM 0 H SER A 496 -6.992 8.959 -11.990 1.00 0.00 H new ATOM 0 HA SER A 496 -7.988 6.476 -10.993 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.116 7.502 -11.209 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.604 5.825 -11.075 1.00 0.00 H new ATOM 0 HG SER A 496 -6.532 5.927 -13.137 1.00 0.00 H new ATOM 971 N VAL A 497 -6.696 8.578 -8.821 1.00 0.00 N ATOM 972 CA VAL A 497 -6.592 8.855 -7.377 1.00 0.00 C ATOM 973 C VAL A 497 -7.994 8.933 -6.766 1.00 0.00 C ATOM 974 O VAL A 497 -8.223 8.381 -5.695 1.00 0.00 O ATOM 975 CB VAL A 497 -5.784 10.139 -7.072 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.665 10.384 -5.558 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.368 10.057 -7.666 1.00 0.00 C ATOM 0 H VAL A 497 -6.506 9.388 -9.411 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.041 8.032 -6.921 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.328 10.966 -7.530 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -5.092 11.294 -5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.661 10.493 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.158 9.539 -5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -3.823 10.973 -7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.842 9.204 -7.236 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.433 9.936 -8.747 1.00 0.00 H new ATOM 987 N GLN A 498 -8.961 9.537 -7.467 1.00 0.00 N ATOM 988 CA GLN A 498 -10.361 9.547 -7.035 1.00 0.00 C ATOM 989 C GLN A 498 -10.979 8.142 -7.059 1.00 0.00 C ATOM 990 O GLN A 498 -11.724 7.796 -6.143 1.00 0.00 O ATOM 991 CB GLN A 498 -11.146 10.512 -7.939 1.00 0.00 C ATOM 992 CG GLN A 498 -12.644 10.643 -7.605 1.00 0.00 C ATOM 993 CD GLN A 498 -12.918 11.118 -6.175 1.00 0.00 C ATOM 994 OE1 GLN A 498 -13.005 12.306 -5.888 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.063 10.215 -5.226 1.00 0.00 N ATOM 0 H GLN A 498 -8.795 10.030 -8.345 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.410 9.886 -6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.687 11.499 -7.876 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.047 10.180 -8.972 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.103 11.342 -8.304 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.126 9.677 -7.756 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -12.993 9.223 -5.451 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.245 10.509 -4.266 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.649 7.317 -8.057 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.071 5.915 -8.117 1.00 0.00 C ATOM 1006 C ALA A 499 -10.515 5.084 -6.946 1.00 0.00 C ATOM 1007 O ALA A 499 -11.231 4.242 -6.401 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.645 5.315 -9.461 1.00 0.00 C ATOM 0 H ALA A 499 -10.078 7.605 -8.851 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.157 5.885 -8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.957 4.272 -9.509 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.113 5.872 -10.273 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.561 5.374 -9.559 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.272 5.354 -6.525 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.692 4.772 -5.315 1.00 0.00 C ATOM 1016 C LEU A 500 -9.437 5.252 -4.060 1.00 0.00 C ATOM 1017 O LEU A 500 -9.843 4.427 -3.246 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.179 5.068 -5.287 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.458 4.728 -3.966 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.639 3.272 -3.527 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -4.958 5.006 -4.133 1.00 0.00 C ATOM 0 H LEU A 500 -8.641 5.985 -7.019 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.812 3.689 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.703 4.511 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.030 6.127 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.905 5.354 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.105 3.105 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.699 3.065 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.242 2.608 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.438 4.769 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.561 4.389 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.808 6.058 -4.374 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.681 6.559 -3.920 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.452 7.140 -2.798 1.00 0.00 C ATOM 1035 C ILE A 501 -11.846 6.497 -2.688 1.00 0.00 C ATOM 1036 O ILE A 501 -12.282 6.153 -1.590 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.535 8.682 -2.941 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.145 9.331 -2.752 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.528 9.286 -1.927 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.044 10.773 -3.264 1.00 0.00 C ATOM 0 H ILE A 501 -9.349 7.257 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 501 -9.928 6.920 -1.868 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.892 8.893 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -8.892 9.316 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.401 8.723 -3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.563 10.368 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.520 8.868 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.203 9.049 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.036 11.150 -3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.263 10.796 -4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.761 11.399 -2.733 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.521 6.274 -3.818 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.848 5.645 -3.893 1.00 0.00 C ATOM 1054 C ASP A 502 -13.845 4.142 -3.532 1.00 0.00 C ATOM 1055 O ASP A 502 -14.894 3.587 -3.201 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.416 5.883 -5.301 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.883 5.437 -5.437 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.762 6.066 -4.799 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.157 4.490 -6.212 1.00 0.00 O ATOM 0 H ASP A 502 -12.152 6.532 -4.733 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.485 6.109 -3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.339 6.943 -5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.809 5.344 -6.028 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.673 3.493 -3.540 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.477 2.099 -3.131 1.00 0.00 C ATOM 1066 C ALA A 503 -11.915 1.953 -1.702 1.00 0.00 C ATOM 1067 O ALA A 503 -11.958 0.855 -1.139 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.564 1.429 -4.164 1.00 0.00 C ATOM 0 H ALA A 503 -11.807 3.940 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.449 1.606 -3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.401 0.388 -3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.034 1.471 -5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.607 1.950 -4.197 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.410 3.036 -1.100 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.826 3.024 0.241 1.00 0.00 C ATOM 1076 C CYS A 504 -11.875 2.966 1.368 1.00 0.00 C ATOM 1077 O CYS A 504 -12.976 3.519 1.267 1.00 0.00 O ATOM 1078 CB CYS A 504 -9.954 4.274 0.439 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.386 4.138 -0.461 1.00 0.00 S ATOM 0 H CYS A 504 -11.397 3.957 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.230 2.113 0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.496 5.155 0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.754 4.415 1.501 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.608 4.240 -1.738 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.480 2.331 2.473 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.142 2.395 3.777 1.00 0.00 C ATOM 1087 C LEU A 505 -11.600 3.628 4.524 1.00 0.00 C ATOM 1088 O LEU A 505 -10.696 4.305 4.033 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.866 1.093 4.560 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.408 -0.185 3.892 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.943 -1.415 4.686 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.941 -0.186 3.789 1.00 0.00 C ATOM 0 H LEU A 505 -10.654 1.732 2.484 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.222 2.490 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.790 0.988 4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.305 1.182 5.554 1.00 0.00 H new ATOM 0 HG LEU A 505 -12.013 -0.217 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -12.326 -2.319 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.854 -1.448 4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -12.319 -1.352 5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -14.273 -1.108 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.373 -0.119 4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.266 0.668 3.195 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.111 3.907 5.723 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.710 5.071 6.525 1.00 0.00 C ATOM 1106 C GLU A 506 -11.728 4.748 8.027 1.00 0.00 C ATOM 1107 O GLU A 506 -12.720 4.227 8.543 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.615 6.270 6.191 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.117 7.577 6.825 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.067 8.741 6.502 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.087 8.907 7.212 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -12.795 9.506 5.546 1.00 0.00 O ATOM 0 H GLU A 506 -12.821 3.329 6.172 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.683 5.334 6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.667 6.392 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.628 6.064 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.039 7.455 7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.117 7.806 6.457 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.340 6.955 5.310 1.00 0.00 N ATOM 1176 CA LEU A 511 -7.920 5.996 4.362 1.00 0.00 C ATOM 1177 C LEU A 511 -7.140 4.676 4.364 1.00 0.00 C ATOM 1178 O LEU A 511 -5.954 4.655 4.698 1.00 0.00 O ATOM 1179 CB LEU A 511 -7.961 6.611 2.948 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.874 7.840 2.766 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.748 8.347 1.320 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.345 7.529 3.073 1.00 0.00 C ATOM 0 HA LEU A 511 -8.940 5.774 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -6.946 6.894 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.282 5.839 2.248 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.550 8.603 3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.391 9.217 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.713 8.625 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.051 7.559 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -10.945 8.428 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.699 6.746 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.438 7.192 4.105 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.787 3.577 3.967 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.176 2.240 3.915 1.00 0.00 C ATOM 1196 C TYR A 512 -7.635 1.397 2.712 1.00 0.00 C ATOM 1197 O TYR A 512 -8.802 1.422 2.322 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.425 1.467 5.224 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.705 2.017 6.441 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.259 3.085 7.174 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.470 1.464 6.835 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.565 3.626 8.272 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.780 1.989 7.943 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.323 3.079 8.660 1.00 0.00 C ATOM 1205 OH TYR A 512 -4.647 3.598 9.721 1.00 0.00 O ATOM 0 H TYR A 512 -8.762 3.588 3.668 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.107 2.412 3.789 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.496 1.461 5.426 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.122 0.430 5.079 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -8.220 3.490 6.892 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -5.052 0.634 6.284 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -6.982 4.459 8.818 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.836 1.559 8.245 1.00 0.00 H new ATOM 0 HH TYR A 512 -3.812 3.102 9.851 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.710 0.599 2.174 1.00 0.00 N ATOM 1216 CA LEU A 513 -6.933 -0.451 1.171 1.00 0.00 C ATOM 1217 C LEU A 513 -6.262 -1.749 1.668 1.00 0.00 C ATOM 1218 O LEU A 513 -5.848 -1.812 2.828 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.380 0.042 -0.187 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.173 -0.495 -1.394 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.454 0.332 -1.592 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.335 -0.434 -2.674 1.00 0.00 C ATOM 0 H LEU A 513 -5.728 0.670 2.440 1.00 0.00 H new ATOM 0 HA LEU A 513 -7.992 -0.667 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.396 1.132 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.338 -0.263 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.430 -1.535 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -9.008 -0.055 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.073 0.264 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.190 1.374 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.919 -0.819 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -6.052 0.599 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.437 -1.039 -2.550 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.099 -2.773 0.824 1.00 0.00 N ATOM 1235 CA CYS A 514 -5.458 -4.044 1.189 1.00 0.00 C ATOM 1236 C CYS A 514 -4.626 -4.661 0.045 1.00 0.00 C ATOM 1237 O CYS A 514 -4.901 -4.419 -1.133 1.00 0.00 O ATOM 1238 CB CYS A 514 -6.522 -5.003 1.753 1.00 0.00 C ATOM 1239 SG CYS A 514 -7.796 -5.368 0.506 1.00 0.00 S ATOM 0 H CYS A 514 -6.413 -2.743 -0.146 1.00 0.00 H new ATOM 0 HA CYS A 514 -4.722 -3.847 1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -6.047 -5.930 2.075 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -6.986 -4.560 2.634 1.00 0.00 H new ATOM 0 HG CYS A 514 -8.677 -6.180 1.010 1.00 0.00 H new ATOM 1245 N VAL A 515 -3.599 -5.438 0.408 1.00 0.00 N ATOM 1246 CA VAL A 515 -2.553 -5.999 -0.478 1.00 0.00 C ATOM 1247 C VAL A 515 -1.994 -7.314 0.101 1.00 0.00 C ATOM 1248 O VAL A 515 -2.281 -7.653 1.246 1.00 0.00 O ATOM 1249 CB VAL A 515 -1.397 -4.990 -0.730 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -1.841 -3.742 -1.508 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -0.708 -4.544 0.568 1.00 0.00 C ATOM 0 H VAL A 515 -3.461 -5.712 1.381 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.026 -6.206 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 515 -0.685 -5.544 -1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -0.988 -3.079 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -2.235 -4.040 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -2.616 -3.220 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 515 0.091 -3.840 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -1.437 -4.061 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.288 -5.413 1.074 1.00 0.00 H new ATOM 1261 N SER A 516 -1.192 -8.058 -0.668 1.00 0.00 N ATOM 1262 CA SER A 516 -0.631 -9.366 -0.271 1.00 0.00 C ATOM 1263 C SER A 516 0.759 -9.636 -0.881 1.00 0.00 C ATOM 1264 O SER A 516 1.169 -9.008 -1.857 1.00 0.00 O ATOM 1265 CB SER A 516 -1.571 -10.511 -0.690 1.00 0.00 C ATOM 1266 OG SER A 516 -2.828 -10.474 -0.030 1.00 0.00 O ATOM 0 H SER A 516 -0.906 -7.768 -1.603 1.00 0.00 H new ATOM 0 HA SER A 516 -0.528 -9.327 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 516 -1.732 -10.464 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 516 -1.086 -11.465 -0.481 1.00 0.00 H new ATOM 0 HG SER A 516 -3.381 -11.223 -0.337 1.00 0.00 H new ATOM 1272 N SER A 517 1.475 -10.615 -0.328 1.00 0.00 N ATOM 1273 CA SER A 517 2.820 -11.057 -0.724 1.00 0.00 C ATOM 1274 C SER A 517 2.975 -12.589 -0.540 1.00 0.00 C ATOM 1275 O SER A 517 2.023 -13.252 -0.101 1.00 0.00 O ATOM 1276 CB SER A 517 3.841 -10.294 0.138 1.00 0.00 C ATOM 1277 OG SER A 517 3.858 -10.823 1.457 1.00 0.00 O ATOM 0 H SER A 517 1.113 -11.156 0.457 1.00 0.00 H new ATOM 0 HA SER A 517 2.989 -10.844 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.833 -10.371 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 517 3.586 -9.235 0.166 1.00 0.00 H new ATOM 0 HG SER A 517 4.786 -10.946 1.748 1.00 0.00 H new ATOM 1283 N PRO A 518 4.156 -13.184 -0.819 1.00 0.00 N ATOM 1284 CA PRO A 518 4.451 -14.579 -0.488 1.00 0.00 C ATOM 1285 C PRO A 518 4.541 -14.858 1.024 1.00 0.00 C ATOM 1286 O PRO A 518 4.581 -16.028 1.411 1.00 0.00 O ATOM 1287 CB PRO A 518 5.783 -14.907 -1.180 1.00 0.00 C ATOM 1288 CG PRO A 518 5.913 -13.833 -2.258 1.00 0.00 C ATOM 1289 CD PRO A 518 5.261 -12.631 -1.584 1.00 0.00 C ATOM 0 HA PRO A 518 3.632 -15.211 -0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 518 6.617 -14.872 -0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 518 5.773 -15.908 -1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.954 -13.640 -2.519 1.00 0.00 H new ATOM 0 HG3 PRO A 518 5.400 -14.113 -3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.967 -12.110 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.909 -11.908 -2.320 1.00 0.00 H new ATOM 1297 N THR A 519 4.573 -13.815 1.874 1.00 0.00 N ATOM 1298 CA THR A 519 4.740 -13.919 3.332 1.00 0.00 C ATOM 1299 C THR A 519 3.504 -13.486 4.114 1.00 0.00 C ATOM 1300 O THR A 519 3.242 -14.066 5.168 1.00 0.00 O ATOM 1301 CB THR A 519 5.963 -13.118 3.802 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.866 -11.782 3.359 1.00 0.00 O ATOM 1303 CG2 THR A 519 7.267 -13.708 3.263 1.00 0.00 C ATOM 0 H THR A 519 4.481 -12.851 1.555 1.00 0.00 H new ATOM 0 HA THR A 519 4.894 -14.978 3.540 1.00 0.00 H new ATOM 0 HB THR A 519 5.977 -13.162 4.891 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.649 -11.278 3.665 1.00 0.00 H new ATOM 0 HG21 THR A 519 8.109 -13.114 3.617 1.00 0.00 H new ATOM 0 HG22 THR A 519 7.374 -14.734 3.614 1.00 0.00 H new ATOM 0 HG23 THR A 519 7.248 -13.697 2.173 1.00 0.00 H new ATOM 1311 N ILE A 520 2.715 -12.533 3.608 1.00 0.00 N ATOM 1312 CA ILE A 520 1.525 -11.973 4.275 1.00 0.00 C ATOM 1313 C ILE A 520 0.349 -11.899 3.296 1.00 0.00 C ATOM 1314 O ILE A 520 0.482 -11.416 2.171 1.00 0.00 O ATOM 1315 CB ILE A 520 1.810 -10.558 4.850 1.00 0.00 C ATOM 1316 CG1 ILE A 520 3.145 -10.380 5.615 1.00 0.00 C ATOM 1317 CG2 ILE A 520 0.638 -10.115 5.745 1.00 0.00 C ATOM 1318 CD1 ILE A 520 3.250 -11.090 6.969 1.00 0.00 C ATOM 0 H ILE A 520 2.888 -12.114 2.694 1.00 0.00 H new ATOM 0 HA ILE A 520 1.270 -12.637 5.101 1.00 0.00 H new ATOM 0 HB ILE A 520 1.913 -9.924 3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 520 3.955 -10.736 4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.309 -9.314 5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 520 0.842 -9.122 6.146 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -0.279 -10.087 5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.520 -10.821 6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 520 4.228 -10.892 7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 520 2.471 -10.720 7.635 1.00 0.00 H new ATOM 0 HD13 ILE A 520 3.126 -12.164 6.827 1.00 0.00 H new ATOM 1330 N LYS A 521 -0.827 -12.334 3.743 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.067 -12.348 2.962 1.00 0.00 C ATOM 1332 C LYS A 521 -3.122 -11.411 3.579 1.00 0.00 C ATOM 1333 O LYS A 521 -3.318 -11.408 4.798 1.00 0.00 O ATOM 1334 CB LYS A 521 -2.574 -13.800 2.902 1.00 0.00 C ATOM 1335 CG LYS A 521 -1.650 -14.788 2.163 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.348 -14.456 0.691 1.00 0.00 C ATOM 1337 CE LYS A 521 -2.628 -14.322 -0.148 1.00 0.00 C ATOM 1338 NZ LYS A 521 -2.335 -14.261 -1.604 1.00 0.00 N ATOM 0 H LYS A 521 -0.950 -12.698 4.688 1.00 0.00 H new ATOM 0 HA LYS A 521 -1.877 -11.981 1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -2.722 -14.159 3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -3.550 -13.807 2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -0.705 -14.845 2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.102 -15.779 2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -0.782 -13.526 0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -0.717 -15.237 0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 521 -3.285 -15.168 0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -3.166 -13.422 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 -3.225 -14.171 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -1.729 -13.439 -1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 -1.845 -15.130 -1.896 1.00 0.00 H new ATOM 1352 N ASP A 522 -3.793 -10.622 2.733 1.00 0.00 N ATOM 1353 CA ASP A 522 -4.896 -9.695 3.107 1.00 0.00 C ATOM 1354 C ASP A 522 -4.443 -8.593 4.093 1.00 0.00 C ATOM 1355 O ASP A 522 -5.203 -8.140 4.949 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.113 -10.512 3.597 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.411 -9.687 3.699 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -7.730 -8.939 2.744 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -8.136 -9.832 4.713 1.00 0.00 O ATOM 0 H ASP A 522 -3.586 -10.601 1.734 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.207 -9.142 2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.276 -11.348 2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -5.885 -10.937 4.575 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.185 -8.146 3.983 1.00 0.00 N ATOM 1365 CA LYS A 523 -2.639 -7.034 4.769 1.00 0.00 C ATOM 1366 C LYS A 523 -3.397 -5.726 4.443 1.00 0.00 C ATOM 1367 O LYS A 523 -3.416 -5.343 3.264 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.133 -6.890 4.459 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.428 -5.783 5.264 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.277 -6.091 6.763 1.00 0.00 C ATOM 1371 CE LYS A 523 0.493 -4.987 7.507 1.00 0.00 C ATOM 1372 NZ LYS A 523 -0.297 -3.740 7.671 1.00 0.00 N ATOM 0 H LYS A 523 -2.509 -8.553 3.336 1.00 0.00 H new ATOM 0 HA LYS A 523 -2.766 -7.237 5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -0.639 -7.841 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.010 -6.685 3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.561 -5.614 4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -0.987 -4.854 5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.264 -6.207 7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.243 -7.041 6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 523 0.788 -5.356 8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 523 1.410 -4.761 6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 0.338 -2.918 7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 -1.007 -3.676 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 -0.776 -3.751 8.594 1.00 0.00 H new ATOM 1386 N PRO A 524 -3.979 -5.014 5.432 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.525 -3.678 5.232 1.00 0.00 C ATOM 1388 C PRO A 524 -3.374 -2.669 5.169 1.00 0.00 C ATOM 1389 O PRO A 524 -2.364 -2.829 5.853 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.468 -3.398 6.412 1.00 0.00 C ATOM 1391 CG PRO A 524 -5.435 -4.675 7.259 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.153 -5.381 6.826 1.00 0.00 C ATOM 0 HA PRO A 524 -5.079 -3.596 4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.134 -2.534 6.987 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.478 -3.180 6.066 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -5.422 -4.446 8.324 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -6.312 -5.296 7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.303 -5.061 7.428 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.238 -6.461 6.943 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.532 -1.628 4.356 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.507 -0.606 4.095 1.00 0.00 C ATOM 1402 C VAL A 525 -3.120 0.788 4.110 1.00 0.00 C ATOM 1403 O VAL A 525 -4.174 1.011 3.522 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.748 -0.844 2.767 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.682 -1.925 2.978 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.639 -1.224 1.566 1.00 0.00 C ATOM 0 H VAL A 525 -4.398 -1.462 3.844 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.776 -0.686 4.900 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.300 0.115 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.146 -2.095 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 525 0.020 -1.599 3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.161 -2.851 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.017 -1.370 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.175 -2.146 1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.355 -0.424 1.377 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.464 1.710 4.812 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.902 3.093 4.973 1.00 0.00 C ATOM 1418 C GLN A 526 -2.610 3.880 3.692 1.00 0.00 C ATOM 1419 O GLN A 526 -1.489 3.853 3.195 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.163 3.721 6.164 1.00 0.00 C ATOM 1421 CG GLN A 526 -2.792 5.063 6.567 1.00 0.00 C ATOM 1422 CD GLN A 526 -1.849 5.868 7.450 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -1.745 5.663 8.649 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -1.110 6.796 6.879 1.00 0.00 N ATOM 0 H GLN A 526 -1.590 1.509 5.297 1.00 0.00 H new ATOM 0 HA GLN A 526 -3.975 3.120 5.162 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.188 3.036 7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -1.115 3.871 5.906 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -3.036 5.637 5.673 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -3.728 4.885 7.097 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -1.194 6.970 5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -0.453 7.341 7.438 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.598 4.609 3.178 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.525 5.376 1.928 1.00 0.00 C ATOM 1435 C ILE A 527 -3.609 6.871 2.267 1.00 0.00 C ATOM 1436 O ILE A 527 -4.476 7.282 3.041 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.680 4.946 0.986 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.830 3.416 0.822 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.550 5.595 -0.402 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.602 2.679 0.276 1.00 0.00 C ATOM 0 H ILE A 527 -4.507 4.687 3.634 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.584 5.183 1.413 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.583 5.304 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.085 2.989 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.672 3.222 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.376 5.270 -1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.575 6.680 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.606 5.295 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.820 1.614 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.354 3.068 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.758 2.831 0.948 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.728 7.689 1.684 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.721 9.152 1.846 1.00 0.00 C ATOM 1454 C ARG A 528 -2.436 9.841 0.501 1.00 0.00 C ATOM 1455 O ARG A 528 -1.268 9.942 0.115 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.697 9.585 2.917 1.00 0.00 C ATOM 1457 CG ARG A 528 -2.170 9.353 4.358 1.00 0.00 C ATOM 1458 CD ARG A 528 -1.145 9.807 5.415 1.00 0.00 C ATOM 1459 NE ARG A 528 -0.655 11.182 5.215 1.00 0.00 N ATOM 1460 CZ ARG A 528 -1.301 12.328 5.367 1.00 0.00 C ATOM 1461 NH1 ARG A 528 -2.547 12.402 5.784 1.00 0.00 N ATOM 1462 NH2 ARG A 528 -0.651 13.434 5.091 1.00 0.00 N ATOM 0 H ARG A 528 -1.984 7.350 1.074 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.709 9.463 2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.767 9.040 2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -1.473 10.643 2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -3.106 9.888 4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -2.381 8.293 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 528 -1.599 9.733 6.403 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -0.296 9.123 5.402 1.00 0.00 H new ATOM 0 HE ARG A 528 0.317 11.262 4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 528 -3.061 11.550 6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 528 -2.998 13.311 5.884 1.00 0.00 H new ATOM 0 HH21 ARG A 528 0.317 13.391 4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 528 -1.114 14.337 5.195 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.476 10.313 -0.219 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.318 11.169 -1.393 1.00 0.00 C ATOM 1478 C PRO A 529 -2.545 12.437 -1.017 1.00 0.00 C ATOM 1479 O PRO A 529 -2.847 13.070 -0.005 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.739 11.476 -1.882 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.560 10.305 -1.347 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.885 10.014 -0.008 1.00 0.00 C ATOM 0 HA PRO A 529 -2.743 10.689 -2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -5.100 12.429 -1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.785 11.535 -2.969 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.610 10.569 -1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.524 9.445 -2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.304 10.631 0.787 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -5.027 8.974 0.287 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.521 12.788 -1.801 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.573 13.837 -1.429 1.00 0.00 C ATOM 1492 C TRP A 530 -1.117 15.263 -1.611 1.00 0.00 C ATOM 1493 O TRP A 530 -1.777 15.587 -2.601 1.00 0.00 O ATOM 1494 CB TRP A 530 0.740 13.651 -2.197 1.00 0.00 C ATOM 1495 CG TRP A 530 1.832 14.576 -1.755 1.00 0.00 C ATOM 1496 CD1 TRP A 530 2.241 15.687 -2.410 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.630 14.520 -0.532 1.00 0.00 C ATOM 1498 NE1 TRP A 530 3.234 16.317 -1.684 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.508 15.646 -0.512 1.00 0.00 C ATOM 1500 CE3 TRP A 530 2.698 13.631 0.564 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.408 15.877 0.539 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 3.597 13.854 1.625 1.00 0.00 C ATOM 1503 CH2 TRP A 530 4.449 14.973 1.615 1.00 0.00 C ATOM 0 H TRP A 530 -1.329 12.355 -2.704 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.395 13.728 -0.359 1.00 0.00 H new ATOM 0 HB2 TRP A 530 1.078 12.621 -2.078 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.554 13.805 -3.260 1.00 0.00 H new ATOM 0 HD1 TRP A 530 1.851 16.030 -3.357 1.00 0.00 H new ATOM 0 HE1 TRP A 530 3.705 17.172 -1.979 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.051 12.767 0.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.060 16.737 0.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 3.632 13.161 2.452 1.00 0.00 H new ATOM 0 HH2 TRP A 530 5.134 15.138 2.433 1.00 0.00 H new