USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 466 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 445 HIS :FLIP no HD1:sc= -1.84! C(o=-5.3!,f=-2.2!) USER MOD Set 1.2: A 446 SER OG : rot 180:sc= -0.355 USER MOD Single : A 420 MET CE :methyl -126:sc= -0.576 (180deg=-1.92!) USER MOD Single : A 423 THR OG1 : rot 180:sc= 0.241 USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 429 LYS NZ :NH3+ -148:sc= 0.316 (180deg=0.00472) USER MOD Single : A 433 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 TYR OH : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot -38:sc= 0.69 USER MOD Single : A 451 HIS : no HE2:sc= -2.54! C(o=-2.5!,f=-8.5!) USER MOD Single : A 452 CYS SG : rot -85:sc= -0.409! USER MOD Single : A 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 ASN :FLIP amide:sc= -0.0941 F(o=-1.3!,f=-0.094) USER MOD Single : A 459 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-2.8!) USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 465 SER OG : rot 180:sc= 0 USER MOD Single : A 466 TYR OH : rot 180:sc= 0 USER MOD Single : A 469 ASN : amide:sc= -0.0504 K(o=-0.05,f=-1.6!) USER MOD Single : A 470 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 473 GLN : amide:sc= -0.0123 K(o=-0.012,f=-1.9!) USER MOD Single : A 478 SER OG : rot 100:sc= -0.21 USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 418 8.803 -5.829 10.578 1.00 0.00 N ATOM 19 CA GLU A 418 7.563 -5.289 9.947 1.00 0.00 C ATOM 20 C GLU A 418 7.909 -4.065 9.098 1.00 0.00 C ATOM 21 O GLU A 418 8.928 -3.432 9.297 1.00 0.00 O ATOM 22 CB GLU A 418 6.576 -4.884 11.045 1.00 0.00 C ATOM 23 CG GLU A 418 6.086 -6.134 11.778 1.00 0.00 C ATOM 24 CD GLU A 418 5.164 -5.724 12.928 1.00 0.00 C ATOM 25 OE1 GLU A 418 4.945 -4.535 13.091 1.00 0.00 O ATOM 26 OE2 GLU A 418 4.692 -6.607 13.626 1.00 0.00 O ATOM 0 HA GLU A 418 7.115 -6.053 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 418 7.056 -4.203 11.747 1.00 0.00 H new ATOM 0 HB3 GLU A 418 5.731 -4.350 10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.554 -6.788 11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 418 6.935 -6.699 12.163 1.00 0.00 H new ATOM 33 N VAL A 419 7.062 -3.726 8.155 1.00 0.00 N ATOM 34 CA VAL A 419 7.320 -2.538 7.280 1.00 0.00 C ATOM 35 C VAL A 419 6.189 -1.528 7.462 1.00 0.00 C ATOM 36 O VAL A 419 5.022 -1.864 7.399 1.00 0.00 O ATOM 37 CB VAL A 419 7.380 -2.986 5.819 1.00 0.00 C ATOM 38 CG1 VAL A 419 8.540 -3.968 5.641 1.00 0.00 C ATOM 39 CG2 VAL A 419 6.066 -3.672 5.433 1.00 0.00 C ATOM 0 H VAL A 419 6.196 -4.226 7.953 1.00 0.00 H new ATOM 0 HA VAL A 419 8.269 -2.077 7.554 1.00 0.00 H new ATOM 0 HB VAL A 419 7.532 -2.117 5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 419 8.587 -4.291 4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 419 9.476 -3.479 5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 419 8.385 -4.835 6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 419 6.114 -3.989 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 419 5.909 -4.542 6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 419 5.239 -2.973 5.562 1.00 0.00 H new ATOM 49 N MET A 420 6.531 -0.290 7.700 1.00 0.00 N ATOM 50 CA MET A 420 5.493 0.764 7.903 1.00 0.00 C ATOM 51 C MET A 420 5.321 1.569 6.617 1.00 0.00 C ATOM 52 O MET A 420 6.269 1.817 5.897 1.00 0.00 O ATOM 53 CB MET A 420 5.942 1.692 9.034 1.00 0.00 C ATOM 54 CG MET A 420 4.862 2.739 9.309 1.00 0.00 C ATOM 55 SD MET A 420 5.339 3.727 10.750 1.00 0.00 S ATOM 56 CE MET A 420 6.328 4.960 9.870 1.00 0.00 C ATOM 0 H MET A 420 7.494 0.040 7.763 1.00 0.00 H new ATOM 0 HA MET A 420 4.542 0.299 8.163 1.00 0.00 H new ATOM 0 HB2 MET A 420 6.136 1.112 9.936 1.00 0.00 H new ATOM 0 HB3 MET A 420 6.877 2.183 8.763 1.00 0.00 H new ATOM 0 HG2 MET A 420 4.733 3.383 8.439 1.00 0.00 H new ATOM 0 HG3 MET A 420 3.904 2.251 9.489 1.00 0.00 H new ATOM 0 HE1 MET A 420 7.321 5.015 10.315 1.00 0.00 H new ATOM 0 HE2 MET A 420 6.415 4.675 8.821 1.00 0.00 H new ATOM 0 HE3 MET A 420 5.844 5.934 9.942 1.00 0.00 H new ATOM 66 N VAL A 421 4.112 1.974 6.323 1.00 0.00 N ATOM 67 CA VAL A 421 3.848 2.766 5.083 1.00 0.00 C ATOM 68 C VAL A 421 3.052 4.016 5.452 1.00 0.00 C ATOM 69 O VAL A 421 2.460 4.096 6.514 1.00 0.00 O ATOM 70 CB VAL A 421 3.044 1.919 4.096 1.00 0.00 C ATOM 71 CG1 VAL A 421 3.863 0.692 3.691 1.00 0.00 C ATOM 72 CG2 VAL A 421 1.739 1.467 4.758 1.00 0.00 C ATOM 0 H VAL A 421 3.288 1.788 6.895 1.00 0.00 H new ATOM 0 HA VAL A 421 4.792 3.054 4.621 1.00 0.00 H new ATOM 0 HB VAL A 421 2.816 2.511 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 421 3.290 0.088 2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 421 4.792 1.014 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 421 4.091 0.099 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 421 1.165 0.863 4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 421 1.967 0.875 5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.155 2.341 5.046 1.00 0.00 H new ATOM 82 N PHE A 422 3.045 4.996 4.583 1.00 0.00 N ATOM 83 CA PHE A 422 2.305 6.264 4.864 1.00 0.00 C ATOM 84 C PHE A 422 1.127 6.390 3.903 1.00 0.00 C ATOM 85 O PHE A 422 1.279 6.326 2.699 1.00 0.00 O ATOM 86 CB PHE A 422 3.253 7.446 4.649 1.00 0.00 C ATOM 87 CG PHE A 422 4.355 7.395 5.678 1.00 0.00 C ATOM 88 CD1 PHE A 422 4.172 7.986 6.932 1.00 0.00 C ATOM 89 CD2 PHE A 422 5.564 6.754 5.376 1.00 0.00 C ATOM 90 CE1 PHE A 422 5.195 7.937 7.886 1.00 0.00 C ATOM 91 CE2 PHE A 422 6.587 6.705 6.329 1.00 0.00 C ATOM 92 CZ PHE A 422 6.403 7.297 7.584 1.00 0.00 C ATOM 0 H PHE A 422 3.525 4.971 3.683 1.00 0.00 H new ATOM 0 HA PHE A 422 1.938 6.257 5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 422 3.676 7.410 3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.706 8.385 4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 422 3.241 8.481 7.165 1.00 0.00 H new ATOM 0 HD2 PHE A 422 5.706 6.298 4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 422 5.053 8.393 8.855 1.00 0.00 H new ATOM 0 HE2 PHE A 422 7.519 6.210 6.096 1.00 0.00 H new ATOM 0 HZ PHE A 422 7.193 7.260 8.319 1.00 0.00 H new ATOM 102 N THR A 423 -0.051 6.575 4.431 1.00 0.00 N ATOM 103 CA THR A 423 -1.257 6.716 3.564 1.00 0.00 C ATOM 104 C THR A 423 -1.427 8.202 3.220 1.00 0.00 C ATOM 105 O THR A 423 -0.957 9.059 3.941 1.00 0.00 O ATOM 106 CB THR A 423 -2.501 6.201 4.329 1.00 0.00 C ATOM 107 OG1 THR A 423 -3.200 7.301 4.895 1.00 0.00 O ATOM 108 CG2 THR A 423 -2.076 5.243 5.448 1.00 0.00 C ATOM 0 H THR A 423 -0.232 6.635 5.433 1.00 0.00 H new ATOM 0 HA THR A 423 -1.143 6.134 2.649 1.00 0.00 H new ATOM 0 HB THR A 423 -3.149 5.671 3.631 1.00 0.00 H new ATOM 0 HG1 THR A 423 -3.988 6.975 5.378 1.00 0.00 H new ATOM 0 HG21 THR A 423 -2.960 4.888 5.978 1.00 0.00 H new ATOM 0 HG22 THR A 423 -1.545 4.394 5.018 1.00 0.00 H new ATOM 0 HG23 THR A 423 -1.420 5.765 6.145 1.00 0.00 H new ATOM 116 N PRO A 424 -2.091 8.518 2.134 1.00 0.00 N ATOM 117 CA PRO A 424 -2.308 9.938 1.719 1.00 0.00 C ATOM 118 C PRO A 424 -3.099 10.712 2.780 1.00 0.00 C ATOM 119 O PRO A 424 -3.138 11.926 2.782 1.00 0.00 O ATOM 120 CB PRO A 424 -3.102 9.825 0.401 1.00 0.00 C ATOM 121 CG PRO A 424 -3.706 8.458 0.432 1.00 0.00 C ATOM 122 CD PRO A 424 -2.707 7.582 1.180 1.00 0.00 C ATOM 0 HA PRO A 424 -1.373 10.485 1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 424 -3.871 10.595 0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 424 -2.451 9.950 -0.464 1.00 0.00 H new ATOM 0 HG2 PRO A 424 -4.672 8.468 0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 424 -3.877 8.083 -0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 424 -3.199 6.753 1.689 1.00 0.00 H new ATOM 0 HD3 PRO A 424 -1.968 7.148 0.507 1.00 0.00 H new ATOM 130 N LYS A 425 -3.728 10.010 3.680 1.00 0.00 N ATOM 131 CA LYS A 425 -4.517 10.688 4.743 1.00 0.00 C ATOM 132 C LYS A 425 -3.573 11.134 5.863 1.00 0.00 C ATOM 133 O LYS A 425 -3.981 11.763 6.820 1.00 0.00 O ATOM 134 CB LYS A 425 -5.545 9.702 5.308 1.00 0.00 C ATOM 135 CG LYS A 425 -6.366 9.085 4.170 1.00 0.00 C ATOM 136 CD LYS A 425 -7.188 10.168 3.464 1.00 0.00 C ATOM 137 CE LYS A 425 -8.267 9.512 2.600 1.00 0.00 C ATOM 138 NZ LYS A 425 -9.098 10.570 1.959 1.00 0.00 N ATOM 0 H LYS A 425 -3.729 8.991 3.724 1.00 0.00 H new ATOM 0 HA LYS A 425 -5.029 11.557 4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -5.037 8.916 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -6.206 10.215 6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -5.702 8.598 3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -7.029 8.315 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -7.648 10.827 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -6.538 10.786 2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -7.806 8.884 1.837 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -8.893 8.863 3.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -9.832 10.126 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -9.548 11.151 2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -8.495 11.172 1.363 1.00 0.00 H new ATOM 152 N GLY A 426 -2.313 10.812 5.752 1.00 0.00 N ATOM 153 CA GLY A 426 -1.339 11.217 6.810 1.00 0.00 C ATOM 154 C GLY A 426 -1.381 10.207 7.958 1.00 0.00 C ATOM 155 O GLY A 426 -0.765 10.394 8.990 1.00 0.00 O ATOM 0 H GLY A 426 -1.914 10.286 4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 426 -0.333 11.267 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -1.581 12.213 7.180 1.00 0.00 H new ATOM 159 N GLU A 427 -2.104 9.136 7.786 1.00 0.00 N ATOM 160 CA GLU A 427 -2.194 8.106 8.861 1.00 0.00 C ATOM 161 C GLU A 427 -1.010 7.141 8.745 1.00 0.00 C ATOM 162 O GLU A 427 -0.366 7.055 7.718 1.00 0.00 O ATOM 163 CB GLU A 427 -3.512 7.339 8.715 1.00 0.00 C ATOM 164 CG GLU A 427 -3.683 6.374 9.892 1.00 0.00 C ATOM 165 CD GLU A 427 -5.086 5.769 9.856 1.00 0.00 C ATOM 166 OE1 GLU A 427 -5.751 5.923 8.845 1.00 0.00 O ATOM 167 OE2 GLU A 427 -5.472 5.164 10.841 1.00 0.00 O ATOM 0 H GLU A 427 -2.640 8.928 6.943 1.00 0.00 H new ATOM 0 HA GLU A 427 -2.164 8.588 9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -4.348 8.037 8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -3.520 6.786 7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -2.934 5.584 9.840 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -3.527 6.901 10.833 1.00 0.00 H new ATOM 174 N ILE A 428 -0.717 6.421 9.799 1.00 0.00 N ATOM 175 CA ILE A 428 0.425 5.454 9.778 1.00 0.00 C ATOM 176 C ILE A 428 -0.126 4.031 9.807 1.00 0.00 C ATOM 177 O ILE A 428 -0.949 3.694 10.637 1.00 0.00 O ATOM 178 CB ILE A 428 1.296 5.680 11.014 1.00 0.00 C ATOM 179 CG1 ILE A 428 1.721 7.155 11.088 1.00 0.00 C ATOM 180 CG2 ILE A 428 2.535 4.785 10.939 1.00 0.00 C ATOM 181 CD1 ILE A 428 2.366 7.597 9.768 1.00 0.00 C ATOM 0 H ILE A 428 -1.225 6.462 10.682 1.00 0.00 H new ATOM 0 HA ILE A 428 1.019 5.602 8.876 1.00 0.00 H new ATOM 0 HB ILE A 428 0.725 5.429 11.908 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.853 7.779 11.302 1.00 0.00 H new ATOM 0 HG13 ILE A 428 2.425 7.296 11.908 1.00 0.00 H new ATOM 0 HG21 ILE A 428 3.155 4.947 11.821 1.00 0.00 H new ATOM 0 HG22 ILE A 428 2.227 3.740 10.899 1.00 0.00 H new ATOM 0 HG23 ILE A 428 3.107 5.029 10.044 1.00 0.00 H new ATOM 0 HD11 ILE A 428 2.660 8.644 9.840 1.00 0.00 H new ATOM 0 HD12 ILE A 428 3.246 6.985 9.570 1.00 0.00 H new ATOM 0 HD13 ILE A 428 1.650 7.476 8.955 1.00 0.00 H new ATOM 193 N LYS A 429 0.317 3.194 8.902 1.00 0.00 N ATOM 194 CA LYS A 429 -0.177 1.781 8.860 1.00 0.00 C ATOM 195 C LYS A 429 1.012 0.822 8.900 1.00 0.00 C ATOM 196 O LYS A 429 1.993 1.002 8.205 1.00 0.00 O ATOM 197 CB LYS A 429 -0.962 1.563 7.563 1.00 0.00 C ATOM 198 CG LYS A 429 -2.164 2.518 7.500 1.00 0.00 C ATOM 199 CD LYS A 429 -3.164 2.189 8.617 1.00 0.00 C ATOM 200 CE LYS A 429 -4.524 2.808 8.292 1.00 0.00 C ATOM 201 NZ LYS A 429 -5.481 2.498 9.392 1.00 0.00 N ATOM 0 H LYS A 429 1.004 3.430 8.186 1.00 0.00 H new ATOM 0 HA LYS A 429 -0.822 1.593 9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -0.312 1.729 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -1.306 0.530 7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -1.824 3.549 7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.652 2.435 6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -3.262 1.109 8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -2.798 2.572 9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -4.426 3.887 8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -4.899 2.415 7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -6.441 2.406 9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -5.207 1.605 9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -5.464 3.266 10.093 1.00 0.00 H new ATOM 215 N ARG A 430 0.925 -0.201 9.715 1.00 0.00 N ATOM 216 CA ARG A 430 2.036 -1.197 9.820 1.00 0.00 C ATOM 217 C ARG A 430 1.626 -2.492 9.128 1.00 0.00 C ATOM 218 O ARG A 430 0.537 -2.993 9.329 1.00 0.00 O ATOM 219 CB ARG A 430 2.323 -1.479 11.295 1.00 0.00 C ATOM 220 CG ARG A 430 2.957 -0.242 11.931 1.00 0.00 C ATOM 221 CD ARG A 430 3.218 -0.509 13.413 1.00 0.00 C ATOM 222 NE ARG A 430 3.876 0.683 14.024 1.00 0.00 N ATOM 223 CZ ARG A 430 3.156 1.664 14.497 1.00 0.00 C ATOM 224 NH1 ARG A 430 1.855 1.626 14.418 1.00 0.00 N ATOM 225 NH2 ARG A 430 3.744 2.693 15.047 1.00 0.00 N ATOM 0 H ARG A 430 0.124 -0.390 10.317 1.00 0.00 H new ATOM 0 HA ARG A 430 2.930 -0.798 9.342 1.00 0.00 H new ATOM 0 HB2 ARG A 430 1.400 -1.737 11.814 1.00 0.00 H new ATOM 0 HB3 ARG A 430 2.992 -2.334 11.390 1.00 0.00 H new ATOM 0 HG2 ARG A 430 3.891 0.003 11.425 1.00 0.00 H new ATOM 0 HG3 ARG A 430 2.297 0.618 11.816 1.00 0.00 H new ATOM 0 HD2 ARG A 430 2.280 -0.723 13.926 1.00 0.00 H new ATOM 0 HD3 ARG A 430 3.853 -1.388 13.529 1.00 0.00 H new ATOM 0 HE ARG A 430 4.894 0.732 14.072 1.00 0.00 H new ATOM 0 HH11 ARG A 430 1.394 0.826 13.985 1.00 0.00 H new ATOM 0 HH12 ARG A 430 1.299 2.396 14.790 1.00 0.00 H new ATOM 0 HH21 ARG A 430 4.762 2.728 15.106 1.00 0.00 H new ATOM 0 HH22 ARG A 430 3.185 3.462 15.418 1.00 0.00 H new ATOM 239 N LEU A 431 2.496 -3.041 8.313 1.00 0.00 N ATOM 240 CA LEU A 431 2.177 -4.316 7.591 1.00 0.00 C ATOM 241 C LEU A 431 3.255 -5.362 7.916 1.00 0.00 C ATOM 242 O LEU A 431 4.407 -5.025 8.106 1.00 0.00 O ATOM 243 CB LEU A 431 2.174 -4.053 6.083 1.00 0.00 C ATOM 244 CG LEU A 431 1.250 -2.875 5.754 1.00 0.00 C ATOM 245 CD1 LEU A 431 1.357 -2.555 4.261 1.00 0.00 C ATOM 246 CD2 LEU A 431 -0.204 -3.239 6.096 1.00 0.00 C ATOM 0 H LEU A 431 3.420 -2.658 8.115 1.00 0.00 H new ATOM 0 HA LEU A 431 1.199 -4.682 7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 431 3.186 -3.837 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 431 1.842 -4.945 5.551 1.00 0.00 H new ATOM 0 HG LEU A 431 1.548 -2.006 6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 431 0.702 -1.718 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 431 2.386 -2.292 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 431 1.059 -3.427 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 431 -0.855 -2.397 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 431 -0.508 -4.108 5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 431 -0.281 -3.470 7.158 1.00 0.00 H new ATOM 258 N PRO A 432 2.899 -6.628 7.973 1.00 0.00 N ATOM 259 CA PRO A 432 3.874 -7.719 8.274 1.00 0.00 C ATOM 260 C PRO A 432 4.847 -7.958 7.109 1.00 0.00 C ATOM 261 O PRO A 432 4.578 -7.605 5.978 1.00 0.00 O ATOM 262 CB PRO A 432 2.981 -8.942 8.529 1.00 0.00 C ATOM 263 CG PRO A 432 1.746 -8.684 7.729 1.00 0.00 C ATOM 264 CD PRO A 432 1.540 -7.166 7.759 1.00 0.00 C ATOM 0 HA PRO A 432 4.516 -7.482 9.122 1.00 0.00 H new ATOM 0 HB2 PRO A 432 3.472 -9.863 8.214 1.00 0.00 H new ATOM 0 HB3 PRO A 432 2.751 -9.050 9.589 1.00 0.00 H new ATOM 0 HG2 PRO A 432 1.860 -9.043 6.706 1.00 0.00 H new ATOM 0 HG3 PRO A 432 0.888 -9.204 8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 432 1.109 -6.803 6.826 1.00 0.00 H new ATOM 0 HD3 PRO A 432 0.862 -6.870 8.560 1.00 0.00 H new ATOM 272 N GLN A 433 5.983 -8.543 7.384 1.00 0.00 N ATOM 273 CA GLN A 433 6.986 -8.793 6.306 1.00 0.00 C ATOM 274 C GLN A 433 6.355 -9.608 5.172 1.00 0.00 C ATOM 275 O GLN A 433 5.546 -10.486 5.396 1.00 0.00 O ATOM 276 CB GLN A 433 8.172 -9.566 6.887 1.00 0.00 C ATOM 277 CG GLN A 433 9.221 -9.797 5.795 1.00 0.00 C ATOM 278 CD GLN A 433 10.462 -10.445 6.411 1.00 0.00 C ATOM 279 OE1 GLN A 433 10.391 -11.530 6.954 1.00 0.00 O ATOM 280 NE2 GLN A 433 11.606 -9.820 6.349 1.00 0.00 N ATOM 0 H GLN A 433 6.261 -8.860 8.313 1.00 0.00 H new ATOM 0 HA GLN A 433 7.325 -7.836 5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 433 8.611 -9.009 7.715 1.00 0.00 H new ATOM 0 HB3 GLN A 433 7.834 -10.521 7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 433 8.813 -10.438 5.013 1.00 0.00 H new ATOM 0 HG3 GLN A 433 9.487 -8.850 5.325 1.00 0.00 H new ATOM 0 HE21 GLN A 433 11.666 -8.909 5.893 1.00 0.00 H new ATOM 0 HE22 GLN A 433 12.440 -10.242 6.756 1.00 0.00 H new ATOM 289 N GLY A 434 6.722 -9.317 3.951 1.00 0.00 N ATOM 290 CA GLY A 434 6.149 -10.065 2.794 1.00 0.00 C ATOM 291 C GLY A 434 4.796 -9.454 2.426 1.00 0.00 C ATOM 292 O GLY A 434 4.038 -10.009 1.654 1.00 0.00 O ATOM 0 H GLY A 434 7.396 -8.592 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 434 6.827 -10.018 1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 434 6.030 -11.118 3.049 1.00 0.00 H new ATOM 296 N ALA A 435 4.494 -8.312 2.976 1.00 0.00 N ATOM 297 CA ALA A 435 3.197 -7.649 2.674 1.00 0.00 C ATOM 298 C ALA A 435 3.196 -7.147 1.229 1.00 0.00 C ATOM 299 O ALA A 435 4.231 -6.855 0.662 1.00 0.00 O ATOM 300 CB ALA A 435 3.002 -6.472 3.630 1.00 0.00 C ATOM 0 H ALA A 435 5.095 -7.806 3.627 1.00 0.00 H new ATOM 0 HA ALA A 435 2.383 -8.363 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 435 2.053 -5.981 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 435 2.997 -6.835 4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 435 3.817 -5.759 3.501 1.00 0.00 H new ATOM 306 N THR A 436 2.035 -7.055 0.629 1.00 0.00 N ATOM 307 CA THR A 436 1.932 -6.582 -0.787 1.00 0.00 C ATOM 308 C THR A 436 0.920 -5.439 -0.876 1.00 0.00 C ATOM 309 O THR A 436 0.239 -5.121 0.080 1.00 0.00 O ATOM 310 CB THR A 436 1.464 -7.739 -1.671 1.00 0.00 C ATOM 311 OG1 THR A 436 0.146 -8.115 -1.296 1.00 0.00 O ATOM 312 CG2 THR A 436 2.408 -8.929 -1.498 1.00 0.00 C ATOM 0 H THR A 436 1.143 -7.290 1.065 1.00 0.00 H new ATOM 0 HA THR A 436 2.907 -6.229 -1.123 1.00 0.00 H new ATOM 0 HB THR A 436 1.468 -7.426 -2.715 1.00 0.00 H new ATOM 0 HG1 THR A 436 -0.157 -8.855 -1.862 1.00 0.00 H new ATOM 0 HG21 THR A 436 2.074 -9.753 -2.128 1.00 0.00 H new ATOM 0 HG22 THR A 436 3.418 -8.637 -1.787 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.406 -9.246 -0.455 1.00 0.00 H new ATOM 320 N ALA A 437 0.819 -4.820 -2.020 1.00 0.00 N ATOM 321 CA ALA A 437 -0.146 -3.695 -2.180 1.00 0.00 C ATOM 322 C ALA A 437 -1.556 -4.181 -1.840 1.00 0.00 C ATOM 323 O ALA A 437 -2.379 -3.436 -1.348 1.00 0.00 O ATOM 324 CB ALA A 437 -0.114 -3.204 -3.629 1.00 0.00 C ATOM 0 H ALA A 437 1.364 -5.045 -2.852 1.00 0.00 H new ATOM 0 HA ALA A 437 0.129 -2.880 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -0.819 -2.381 -3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 437 0.891 -2.860 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -0.391 -4.020 -4.296 1.00 0.00 H new ATOM 330 N LEU A 438 -1.841 -5.427 -2.097 1.00 0.00 N ATOM 331 CA LEU A 438 -3.196 -5.961 -1.786 1.00 0.00 C ATOM 332 C LEU A 438 -3.436 -5.885 -0.276 1.00 0.00 C ATOM 333 O LEU A 438 -4.501 -5.516 0.177 1.00 0.00 O ATOM 334 CB LEU A 438 -3.273 -7.424 -2.229 1.00 0.00 C ATOM 335 CG LEU A 438 -3.219 -7.516 -3.762 1.00 0.00 C ATOM 336 CD1 LEU A 438 -3.005 -8.978 -4.171 1.00 0.00 C ATOM 337 CD2 LEU A 438 -4.531 -6.991 -4.382 1.00 0.00 C ATOM 0 H LEU A 438 -1.194 -6.099 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 438 -3.950 -5.373 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.448 -7.988 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -4.195 -7.875 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 438 -2.394 -6.904 -4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -2.966 -9.050 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.067 -9.340 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -3.829 -9.585 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -4.475 -7.064 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -5.368 -7.588 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -4.678 -5.950 -4.095 1.00 0.00 H new ATOM 349 N ASP A 439 -2.448 -6.233 0.501 1.00 0.00 N ATOM 350 CA ASP A 439 -2.600 -6.193 1.986 1.00 0.00 C ATOM 351 C ASP A 439 -2.894 -4.761 2.443 1.00 0.00 C ATOM 352 O ASP A 439 -3.742 -4.524 3.279 1.00 0.00 O ATOM 353 CB ASP A 439 -1.296 -6.670 2.631 1.00 0.00 C ATOM 354 CG ASP A 439 -1.429 -6.643 4.155 1.00 0.00 C ATOM 355 OD1 ASP A 439 -2.442 -6.161 4.634 1.00 0.00 O ATOM 356 OD2 ASP A 439 -0.514 -7.106 4.817 1.00 0.00 O ATOM 0 H ASP A 439 -1.535 -6.546 0.170 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.425 -6.840 2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -1.062 -7.680 2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -0.470 -6.031 2.318 1.00 0.00 H new ATOM 361 N PHE A 440 -2.193 -3.808 1.901 1.00 0.00 N ATOM 362 CA PHE A 440 -2.419 -2.391 2.300 1.00 0.00 C ATOM 363 C PHE A 440 -3.857 -1.980 1.976 1.00 0.00 C ATOM 364 O PHE A 440 -4.523 -1.338 2.765 1.00 0.00 O ATOM 365 CB PHE A 440 -1.443 -1.496 1.541 1.00 0.00 C ATOM 366 CG PHE A 440 -1.673 -0.053 1.924 1.00 0.00 C ATOM 367 CD1 PHE A 440 -1.408 0.370 3.232 1.00 0.00 C ATOM 368 CD2 PHE A 440 -2.148 0.862 0.977 1.00 0.00 C ATOM 369 CE1 PHE A 440 -1.616 1.706 3.590 1.00 0.00 C ATOM 370 CE2 PHE A 440 -2.355 2.198 1.335 1.00 0.00 C ATOM 371 CZ PHE A 440 -2.089 2.620 2.642 1.00 0.00 C ATOM 0 H PHE A 440 -1.470 -3.949 1.196 1.00 0.00 H new ATOM 0 HA PHE A 440 -2.256 -2.285 3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 440 -0.417 -1.784 1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 440 -1.578 -1.623 0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 440 -1.043 -0.335 3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 440 -2.355 0.536 -0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 440 -1.411 2.032 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 440 -2.720 2.903 0.603 1.00 0.00 H new ATOM 0 HZ PHE A 440 -2.249 3.651 2.919 1.00 0.00 H new ATOM 381 N ALA A 441 -4.341 -2.336 0.820 1.00 0.00 N ATOM 382 CA ALA A 441 -5.733 -1.957 0.447 1.00 0.00 C ATOM 383 C ALA A 441 -6.712 -2.494 1.498 1.00 0.00 C ATOM 384 O ALA A 441 -7.630 -1.811 1.909 1.00 0.00 O ATOM 385 CB ALA A 441 -6.067 -2.559 -0.920 1.00 0.00 C ATOM 0 H ALA A 441 -3.834 -2.873 0.117 1.00 0.00 H new ATOM 0 HA ALA A 441 -5.817 -0.871 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.085 -2.286 -1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -5.371 -2.176 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -5.984 -3.645 -0.870 1.00 0.00 H new ATOM 391 N TYR A 442 -6.522 -3.707 1.941 1.00 0.00 N ATOM 392 CA TYR A 442 -7.443 -4.276 2.971 1.00 0.00 C ATOM 393 C TYR A 442 -7.272 -3.529 4.297 1.00 0.00 C ATOM 394 O TYR A 442 -8.224 -3.293 5.014 1.00 0.00 O ATOM 395 CB TYR A 442 -7.130 -5.758 3.186 1.00 0.00 C ATOM 396 CG TYR A 442 -7.567 -6.557 1.977 1.00 0.00 C ATOM 397 CD1 TYR A 442 -8.927 -6.639 1.649 1.00 0.00 C ATOM 398 CD2 TYR A 442 -6.618 -7.222 1.190 1.00 0.00 C ATOM 399 CE1 TYR A 442 -9.335 -7.382 0.535 1.00 0.00 C ATOM 400 CE2 TYR A 442 -7.027 -7.963 0.075 1.00 0.00 C ATOM 401 CZ TYR A 442 -8.385 -8.044 -0.251 1.00 0.00 C ATOM 402 OH TYR A 442 -8.788 -8.778 -1.348 1.00 0.00 O ATOM 0 H TYR A 442 -5.772 -4.328 1.637 1.00 0.00 H new ATOM 0 HA TYR A 442 -8.470 -4.166 2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 442 -6.062 -5.892 3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 442 -7.642 -6.121 4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 442 -9.660 -6.129 2.256 1.00 0.00 H new ATOM 0 HD2 TYR A 442 -5.570 -7.163 1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 442 -10.383 -7.444 0.282 1.00 0.00 H new ATOM 0 HE2 TYR A 442 -6.294 -8.472 -0.533 1.00 0.00 H new ATOM 0 HH TYR A 442 -8.004 -9.172 -1.784 1.00 0.00 H new ATOM 412 N SER A 443 -6.065 -3.167 4.633 1.00 0.00 N ATOM 413 CA SER A 443 -5.835 -2.449 5.920 1.00 0.00 C ATOM 414 C SER A 443 -6.630 -1.144 5.930 1.00 0.00 C ATOM 415 O SER A 443 -7.156 -0.734 6.946 1.00 0.00 O ATOM 416 CB SER A 443 -4.346 -2.138 6.071 1.00 0.00 C ATOM 417 OG SER A 443 -3.955 -1.212 5.067 1.00 0.00 O ATOM 0 H SER A 443 -5.229 -3.336 4.074 1.00 0.00 H new ATOM 0 HA SER A 443 -6.162 -3.078 6.748 1.00 0.00 H new ATOM 0 HB2 SER A 443 -4.148 -1.725 7.060 1.00 0.00 H new ATOM 0 HB3 SER A 443 -3.761 -3.054 5.985 1.00 0.00 H new ATOM 0 HG SER A 443 -4.422 -1.420 4.231 1.00 0.00 H new ATOM 423 N LEU A 444 -6.725 -0.486 4.810 1.00 0.00 N ATOM 424 CA LEU A 444 -7.488 0.791 4.765 1.00 0.00 C ATOM 425 C LEU A 444 -8.957 0.512 5.089 1.00 0.00 C ATOM 426 O LEU A 444 -9.586 1.238 5.834 1.00 0.00 O ATOM 427 CB LEU A 444 -7.379 1.401 3.365 1.00 0.00 C ATOM 428 CG LEU A 444 -5.939 1.872 3.109 1.00 0.00 C ATOM 429 CD1 LEU A 444 -5.794 2.262 1.634 1.00 0.00 C ATOM 430 CD2 LEU A 444 -5.598 3.084 4.005 1.00 0.00 C ATOM 0 H LEU A 444 -6.308 -0.776 3.925 1.00 0.00 H new ATOM 0 HA LEU A 444 -7.079 1.489 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -7.669 0.665 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -8.068 2.241 3.270 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.251 1.061 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -4.774 2.597 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.014 1.399 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -6.490 3.068 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -4.574 3.404 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -6.282 3.903 3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -5.696 2.801 5.053 1.00 0.00 H new ATOM 442 N HIS A 445 -9.505 -0.540 4.541 1.00 0.00 N ATOM 443 CA HIS A 445 -10.932 -0.870 4.820 1.00 0.00 C ATOM 444 C HIS A 445 -11.275 -2.225 4.193 1.00 0.00 C ATOM 445 O HIS A 445 -10.695 -3.240 4.524 1.00 0.00 O ATOM 446 CB HIS A 445 -11.845 0.208 4.225 1.00 0.00 C ATOM 447 CG HIS A 445 -13.274 -0.111 4.564 1.00 0.00 C ATOM 448 ND1 HIS A 445 -14.347 -0.468 3.785 1.00 0.00 N flip ATOM 449 CD2 HIS A 445 -13.745 -0.088 5.867 1.00 0.00 C flip ATOM 450 CE1 HIS A 445 -15.466 -0.665 4.590 1.00 0.00 C flip ATOM 451 NE2 HIS A 445 -15.046 -0.424 5.836 1.00 0.00 N flip ATOM 0 H HIS A 445 -9.026 -1.185 3.912 1.00 0.00 H new ATOM 0 HA HIS A 445 -11.083 -0.914 5.899 1.00 0.00 H new ATOM 0 HB2 HIS A 445 -11.575 1.188 4.619 1.00 0.00 H new ATOM 0 HB3 HIS A 445 -11.717 0.253 3.144 1.00 0.00 H new ATOM 0 HD2 HIS A 445 -13.170 0.156 6.748 1.00 0.00 H new ATOM 0 HE1 HIS A 445 -16.459 -0.951 4.276 1.00 0.00 H new ATOM 0 HE2 HIS A 445 -15.640 -0.487 6.662 1.00 0.00 H new ATOM 459 N SER A 446 -12.216 -2.246 3.288 1.00 0.00 N ATOM 460 CA SER A 446 -12.606 -3.526 2.635 1.00 0.00 C ATOM 461 C SER A 446 -13.227 -3.218 1.271 1.00 0.00 C ATOM 462 O SER A 446 -12.696 -3.575 0.238 1.00 0.00 O ATOM 463 CB SER A 446 -13.633 -4.251 3.508 1.00 0.00 C ATOM 464 OG SER A 446 -14.712 -3.370 3.789 1.00 0.00 O ATOM 0 H SER A 446 -12.734 -1.426 2.972 1.00 0.00 H new ATOM 0 HA SER A 446 -11.728 -4.159 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 446 -13.999 -5.142 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 446 -13.169 -4.584 4.436 1.00 0.00 H new ATOM 0 HG SER A 446 -15.373 -3.830 4.347 1.00 0.00 H new ATOM 470 N ASP A 447 -14.349 -2.557 1.266 1.00 0.00 N ATOM 471 CA ASP A 447 -15.015 -2.219 -0.022 1.00 0.00 C ATOM 472 C ASP A 447 -14.101 -1.317 -0.858 1.00 0.00 C ATOM 473 O ASP A 447 -13.887 -1.547 -2.031 1.00 0.00 O ATOM 474 CB ASP A 447 -16.323 -1.478 0.270 1.00 0.00 C ATOM 475 CG ASP A 447 -17.020 -1.129 -1.045 1.00 0.00 C ATOM 476 OD1 ASP A 447 -16.426 -1.354 -2.087 1.00 0.00 O ATOM 477 OD2 ASP A 447 -18.137 -0.640 -0.990 1.00 0.00 O ATOM 0 H ASP A 447 -14.836 -2.235 2.102 1.00 0.00 H new ATOM 0 HA ASP A 447 -15.221 -3.136 -0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 447 -16.975 -2.099 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 447 -16.119 -0.570 0.837 1.00 0.00 H new ATOM 482 N LEU A 448 -13.573 -0.282 -0.264 1.00 0.00 N ATOM 483 CA LEU A 448 -12.686 0.645 -1.024 1.00 0.00 C ATOM 484 C LEU A 448 -11.438 -0.119 -1.495 1.00 0.00 C ATOM 485 O LEU A 448 -11.017 -0.007 -2.631 1.00 0.00 O ATOM 486 CB LEU A 448 -12.281 1.807 -0.097 1.00 0.00 C ATOM 487 CG LEU A 448 -11.993 3.085 -0.910 1.00 0.00 C ATOM 488 CD1 LEU A 448 -10.986 2.784 -2.028 1.00 0.00 C ATOM 489 CD2 LEU A 448 -13.302 3.640 -1.522 1.00 0.00 C ATOM 0 H LEU A 448 -13.717 -0.038 0.716 1.00 0.00 H new ATOM 0 HA LEU A 448 -13.206 1.040 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 448 -13.078 2.000 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 448 -11.397 1.529 0.476 1.00 0.00 H new ATOM 0 HG LEU A 448 -11.570 3.834 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 448 -10.790 3.694 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 448 -10.055 2.421 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 448 -11.396 2.023 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 448 -13.083 4.542 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 448 -13.742 2.891 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 448 -14.005 3.878 -0.723 1.00 0.00 H new ATOM 501 N GLY A 449 -10.845 -0.891 -0.626 1.00 0.00 N ATOM 502 CA GLY A 449 -9.627 -1.660 -1.010 1.00 0.00 C ATOM 503 C GLY A 449 -9.991 -2.729 -2.040 1.00 0.00 C ATOM 504 O GLY A 449 -9.268 -2.969 -2.989 1.00 0.00 O ATOM 0 H GLY A 449 -11.153 -1.023 0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 449 -8.876 -0.986 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 449 -9.188 -2.127 -0.128 1.00 0.00 H new ATOM 508 N ASP A 450 -11.104 -3.378 -1.856 1.00 0.00 N ATOM 509 CA ASP A 450 -11.524 -4.439 -2.814 1.00 0.00 C ATOM 510 C ASP A 450 -11.772 -3.817 -4.189 1.00 0.00 C ATOM 511 O ASP A 450 -11.474 -4.402 -5.212 1.00 0.00 O ATOM 512 CB ASP A 450 -12.812 -5.094 -2.312 1.00 0.00 C ATOM 513 CG ASP A 450 -13.239 -6.193 -3.287 1.00 0.00 C ATOM 514 OD1 ASP A 450 -12.617 -6.307 -4.330 1.00 0.00 O ATOM 515 OD2 ASP A 450 -14.182 -6.900 -2.974 1.00 0.00 O ATOM 0 H ASP A 450 -11.746 -3.219 -1.079 1.00 0.00 H new ATOM 0 HA ASP A 450 -10.738 -5.190 -2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -12.655 -5.515 -1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -13.601 -4.347 -2.221 1.00 0.00 H new ATOM 520 N HIS A 451 -12.317 -2.634 -4.218 1.00 0.00 N ATOM 521 CA HIS A 451 -12.590 -1.967 -5.523 1.00 0.00 C ATOM 522 C HIS A 451 -11.303 -1.320 -6.036 1.00 0.00 C ATOM 523 O HIS A 451 -11.331 -0.346 -6.764 1.00 0.00 O ATOM 524 CB HIS A 451 -13.668 -0.896 -5.322 1.00 0.00 C ATOM 525 CG HIS A 451 -15.018 -1.554 -5.243 1.00 0.00 C ATOM 526 ND1 HIS A 451 -15.441 -2.236 -4.115 1.00 0.00 N ATOM 527 CD2 HIS A 451 -16.046 -1.648 -6.147 1.00 0.00 C ATOM 528 CE1 HIS A 451 -16.676 -2.709 -4.366 1.00 0.00 C ATOM 529 NE2 HIS A 451 -17.092 -2.379 -5.591 1.00 0.00 N ATOM 0 H HIS A 451 -12.586 -2.098 -3.393 1.00 0.00 H new ATOM 0 HA HIS A 451 -12.939 -2.699 -6.251 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -13.472 -0.334 -4.409 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -13.646 -0.183 -6.146 1.00 0.00 H new ATOM 0 HD1 HIS A 451 -14.913 -2.358 -3.251 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -16.044 -1.220 -7.139 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -17.259 -3.285 -3.663 1.00 0.00 H new ATOM 537 N CYS A 452 -10.174 -1.855 -5.661 1.00 0.00 N ATOM 538 CA CYS A 452 -8.883 -1.276 -6.125 1.00 0.00 C ATOM 539 C CYS A 452 -8.624 -1.700 -7.570 1.00 0.00 C ATOM 540 O CYS A 452 -8.698 -2.864 -7.908 1.00 0.00 O ATOM 541 CB CYS A 452 -7.747 -1.791 -5.240 1.00 0.00 C ATOM 542 SG CYS A 452 -7.807 -3.600 -5.180 1.00 0.00 S ATOM 0 H CYS A 452 -10.090 -2.669 -5.052 1.00 0.00 H new ATOM 0 HA CYS A 452 -8.932 -0.189 -6.065 1.00 0.00 H new ATOM 0 HB2 CYS A 452 -6.786 -1.461 -5.634 1.00 0.00 H new ATOM 0 HB3 CYS A 452 -7.838 -1.379 -4.235 1.00 0.00 H new ATOM 0 HG CYS A 452 -8.636 -3.976 -4.252 1.00 0.00 H new ATOM 548 N ILE A 453 -8.313 -0.760 -8.426 1.00 0.00 N ATOM 549 CA ILE A 453 -8.037 -1.092 -9.858 1.00 0.00 C ATOM 550 C ILE A 453 -6.528 -1.067 -10.101 1.00 0.00 C ATOM 551 O ILE A 453 -6.052 -1.395 -11.169 1.00 0.00 O ATOM 552 CB ILE A 453 -8.717 -0.054 -10.752 1.00 0.00 C ATOM 553 CG1 ILE A 453 -8.322 1.356 -10.294 1.00 0.00 C ATOM 554 CG2 ILE A 453 -10.235 -0.217 -10.653 1.00 0.00 C ATOM 555 CD1 ILE A 453 -8.810 2.388 -11.316 1.00 0.00 C ATOM 0 H ILE A 453 -8.238 0.230 -8.193 1.00 0.00 H new ATOM 0 HA ILE A 453 -8.424 -2.084 -10.089 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.401 -0.200 -11.785 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -8.755 1.566 -9.316 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -7.240 1.423 -10.184 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -10.723 0.522 -11.289 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -10.515 -1.219 -10.979 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -10.550 -0.070 -9.620 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -8.527 3.388 -10.987 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -8.356 2.183 -12.285 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -9.895 2.328 -11.404 1.00 0.00 H new ATOM 567 N GLY A 454 -5.772 -0.675 -9.111 1.00 0.00 N ATOM 568 CA GLY A 454 -4.294 -0.623 -9.275 1.00 0.00 C ATOM 569 C GLY A 454 -3.660 -0.033 -8.015 1.00 0.00 C ATOM 570 O GLY A 454 -4.329 0.236 -7.037 1.00 0.00 O ATOM 0 H GLY A 454 -6.117 -0.388 -8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -3.903 -1.624 -9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -4.035 -0.017 -10.143 1.00 0.00 H new ATOM 574 N ALA A 455 -2.369 0.172 -8.037 1.00 0.00 N ATOM 575 CA ALA A 455 -1.670 0.747 -6.849 1.00 0.00 C ATOM 576 C ALA A 455 -0.597 1.722 -7.332 1.00 0.00 C ATOM 577 O ALA A 455 -0.049 1.565 -8.405 1.00 0.00 O ATOM 578 CB ALA A 455 -1.004 -0.379 -6.054 1.00 0.00 C ATOM 0 H ALA A 455 -1.765 -0.036 -8.832 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.388 1.265 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -0.494 0.040 -5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -1.763 -1.087 -5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -0.281 -0.893 -6.687 1.00 0.00 H new ATOM 584 N LYS A 456 -0.291 2.727 -6.549 1.00 0.00 N ATOM 585 CA LYS A 456 0.754 3.719 -6.956 1.00 0.00 C ATOM 586 C LYS A 456 1.705 3.943 -5.776 1.00 0.00 C ATOM 587 O LYS A 456 1.293 4.333 -4.701 1.00 0.00 O ATOM 588 CB LYS A 456 0.075 5.047 -7.345 1.00 0.00 C ATOM 589 CG LYS A 456 0.962 5.825 -8.325 1.00 0.00 C ATOM 590 CD LYS A 456 0.224 7.073 -8.811 1.00 0.00 C ATOM 591 CE LYS A 456 1.086 7.799 -9.848 1.00 0.00 C ATOM 592 NZ LYS A 456 0.377 9.019 -10.327 1.00 0.00 N ATOM 0 H LYS A 456 -0.722 2.904 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 456 1.315 3.345 -7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 456 -0.896 4.849 -7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 456 -0.107 5.646 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 456 1.895 6.109 -7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 456 1.224 5.193 -9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 456 -0.735 6.795 -9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 456 0.011 7.734 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 456 2.045 8.073 -9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 456 1.297 7.136 -10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 0.966 9.509 -11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 -0.528 8.747 -10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 0.198 9.654 -9.523 1.00 0.00 H new ATOM 606 N VAL A 457 2.977 3.687 -5.973 1.00 0.00 N ATOM 607 CA VAL A 457 3.981 3.866 -4.874 1.00 0.00 C ATOM 608 C VAL A 457 5.065 4.842 -5.334 1.00 0.00 C ATOM 609 O VAL A 457 5.567 4.746 -6.438 1.00 0.00 O ATOM 610 CB VAL A 457 4.609 2.507 -4.540 1.00 0.00 C ATOM 611 CG1 VAL A 457 5.818 2.701 -3.618 1.00 0.00 C ATOM 612 CG2 VAL A 457 3.569 1.633 -3.834 1.00 0.00 C ATOM 0 H VAL A 457 3.366 3.359 -6.857 1.00 0.00 H new ATOM 0 HA VAL A 457 3.493 4.266 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 457 4.936 2.025 -5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 457 6.258 1.731 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 457 6.559 3.326 -4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 457 5.498 3.184 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 457 4.010 0.665 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 457 3.246 2.122 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 457 2.710 1.488 -4.489 1.00 0.00 H new ATOM 622 N ASN A 458 5.422 5.780 -4.499 1.00 0.00 N ATOM 623 CA ASN A 458 6.474 6.765 -4.882 1.00 0.00 C ATOM 624 C ASN A 458 6.072 7.453 -6.186 1.00 0.00 C ATOM 625 O ASN A 458 6.888 7.704 -7.049 1.00 0.00 O ATOM 626 CB ASN A 458 7.820 6.050 -5.052 1.00 0.00 C ATOM 627 CG ASN A 458 8.274 5.494 -3.699 1.00 0.00 C ATOM 628 OD1 ASN A 458 7.949 6.122 -2.601 1.00 0.00 O flip ATOM 629 ND2 ASN A 458 8.933 4.475 -3.640 1.00 0.00 N flip ATOM 0 H ASN A 458 5.030 5.907 -3.566 1.00 0.00 H new ATOM 0 HA ASN A 458 6.575 7.515 -4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 458 7.726 5.242 -5.777 1.00 0.00 H new ATOM 0 HB3 ASN A 458 8.566 6.743 -5.442 1.00 0.00 H new ATOM 0 HD21 ASN A 458 9.188 3.982 -4.496 1.00 0.00 H new ATOM 0 HD22 ASN A 458 9.231 4.112 -2.735 1.00 0.00 H new ATOM 636 N HIS A 459 4.808 7.757 -6.326 1.00 0.00 N ATOM 637 CA HIS A 459 4.313 8.432 -7.561 1.00 0.00 C ATOM 638 C HIS A 459 4.642 7.588 -8.793 1.00 0.00 C ATOM 639 O HIS A 459 4.456 8.023 -9.913 1.00 0.00 O ATOM 640 CB HIS A 459 4.967 9.810 -7.701 1.00 0.00 C ATOM 641 CG HIS A 459 4.349 10.540 -8.863 1.00 0.00 C ATOM 642 ND1 HIS A 459 4.917 10.531 -10.128 1.00 0.00 N ATOM 643 CD2 HIS A 459 3.214 11.306 -8.968 1.00 0.00 C ATOM 644 CE1 HIS A 459 4.129 11.271 -10.931 1.00 0.00 C ATOM 645 NE2 HIS A 459 3.077 11.766 -10.274 1.00 0.00 N ATOM 0 H HIS A 459 4.090 7.564 -5.628 1.00 0.00 H new ATOM 0 HA HIS A 459 3.232 8.548 -7.484 1.00 0.00 H new ATOM 0 HB2 HIS A 459 4.833 10.384 -6.784 1.00 0.00 H new ATOM 0 HB3 HIS A 459 6.041 9.701 -7.855 1.00 0.00 H new ATOM 0 HD2 HIS A 459 2.531 11.519 -8.159 1.00 0.00 H new ATOM 0 HE1 HIS A 459 4.324 11.443 -11.979 1.00 0.00 H new ATOM 0 HE2 HIS A 459 2.333 12.355 -10.649 1.00 0.00 H new ATOM 653 N LYS A 460 5.126 6.386 -8.598 1.00 0.00 N ATOM 654 CA LYS A 460 5.470 5.500 -9.759 1.00 0.00 C ATOM 655 C LYS A 460 4.493 4.322 -9.803 1.00 0.00 C ATOM 656 O LYS A 460 4.033 3.842 -8.786 1.00 0.00 O ATOM 657 CB LYS A 460 6.907 4.981 -9.599 1.00 0.00 C ATOM 658 CG LYS A 460 7.277 4.022 -10.748 1.00 0.00 C ATOM 659 CD LYS A 460 7.194 4.752 -12.098 1.00 0.00 C ATOM 660 CE LYS A 460 7.963 3.967 -13.162 1.00 0.00 C ATOM 661 NZ LYS A 460 7.813 4.649 -14.480 1.00 0.00 N ATOM 0 H LYS A 460 5.299 5.976 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 460 5.396 6.065 -10.688 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.602 5.821 -9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.008 4.466 -8.644 1.00 0.00 H new ATOM 0 HG2 LYS A 460 8.285 3.635 -10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 460 6.603 3.166 -10.748 1.00 0.00 H new ATOM 0 HD2 LYS A 460 6.152 4.863 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 460 7.608 5.756 -12.004 1.00 0.00 H new ATOM 0 HE2 LYS A 460 9.017 3.901 -12.891 1.00 0.00 H new ATOM 0 HE3 LYS A 460 7.585 2.947 -13.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 8.334 4.118 -15.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 6.806 4.690 -14.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 8.194 5.615 -14.416 1.00 0.00 H new ATOM 675 N LEU A 461 4.176 3.858 -10.979 1.00 0.00 N ATOM 676 CA LEU A 461 3.230 2.714 -11.108 1.00 0.00 C ATOM 677 C LEU A 461 3.916 1.425 -10.658 1.00 0.00 C ATOM 678 O LEU A 461 5.081 1.201 -10.917 1.00 0.00 O ATOM 679 CB LEU A 461 2.798 2.577 -12.579 1.00 0.00 C ATOM 680 CG LEU A 461 1.619 3.515 -12.878 1.00 0.00 C ATOM 681 CD1 LEU A 461 0.345 3.037 -12.143 1.00 0.00 C ATOM 682 CD2 LEU A 461 1.983 4.940 -12.439 1.00 0.00 C ATOM 0 H LEU A 461 4.533 4.224 -11.862 1.00 0.00 H new ATOM 0 HA LEU A 461 2.356 2.893 -10.482 1.00 0.00 H new ATOM 0 HB2 LEU A 461 3.636 2.814 -13.235 1.00 0.00 H new ATOM 0 HB3 LEU A 461 2.513 1.546 -12.787 1.00 0.00 H new ATOM 0 HG LEU A 461 1.416 3.505 -13.949 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -0.480 3.714 -12.367 1.00 0.00 H new ATOM 0 HD12 LEU A 461 0.089 2.031 -12.475 1.00 0.00 H new ATOM 0 HD13 LEU A 461 0.526 3.029 -11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 461 1.149 5.610 -12.649 1.00 0.00 H new ATOM 0 HD22 LEU A 461 2.195 4.948 -11.370 1.00 0.00 H new ATOM 0 HD23 LEU A 461 2.864 5.275 -12.986 1.00 0.00 H new ATOM 694 N VAL A 462 3.187 0.568 -9.996 1.00 0.00 N ATOM 695 CA VAL A 462 3.770 -0.724 -9.532 1.00 0.00 C ATOM 696 C VAL A 462 2.673 -1.795 -9.571 1.00 0.00 C ATOM 697 O VAL A 462 1.510 -1.495 -9.385 1.00 0.00 O ATOM 698 CB VAL A 462 4.283 -0.567 -8.100 1.00 0.00 C ATOM 699 CG1 VAL A 462 5.589 0.227 -8.110 1.00 0.00 C ATOM 700 CG2 VAL A 462 3.240 0.180 -7.267 1.00 0.00 C ATOM 0 H VAL A 462 2.206 0.708 -9.755 1.00 0.00 H new ATOM 0 HA VAL A 462 4.599 -1.015 -10.177 1.00 0.00 H new ATOM 0 HB VAL A 462 4.460 -1.551 -7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 462 5.955 0.339 -7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 462 6.332 -0.303 -8.706 1.00 0.00 H new ATOM 0 HG13 VAL A 462 5.413 1.212 -8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 462 3.603 0.293 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 462 3.065 1.164 -7.701 1.00 0.00 H new ATOM 0 HG23 VAL A 462 2.308 -0.385 -7.260 1.00 0.00 H new ATOM 710 N PRO A 463 3.025 -3.033 -9.816 1.00 0.00 N ATOM 711 CA PRO A 463 2.029 -4.142 -9.878 1.00 0.00 C ATOM 712 C PRO A 463 1.388 -4.429 -8.512 1.00 0.00 C ATOM 713 O PRO A 463 1.908 -4.066 -7.476 1.00 0.00 O ATOM 714 CB PRO A 463 2.844 -5.348 -10.383 1.00 0.00 C ATOM 715 CG PRO A 463 4.264 -5.041 -10.018 1.00 0.00 C ATOM 716 CD PRO A 463 4.396 -3.516 -10.059 1.00 0.00 C ATOM 0 HA PRO A 463 1.189 -3.898 -10.528 1.00 0.00 H new ATOM 0 HB2 PRO A 463 2.508 -6.274 -9.916 1.00 0.00 H new ATOM 0 HB3 PRO A 463 2.733 -5.476 -11.460 1.00 0.00 H new ATOM 0 HG2 PRO A 463 4.503 -5.426 -9.027 1.00 0.00 H new ATOM 0 HG3 PRO A 463 4.956 -5.510 -10.717 1.00 0.00 H new ATOM 0 HD2 PRO A 463 5.087 -3.155 -9.298 1.00 0.00 H new ATOM 0 HD3 PRO A 463 4.775 -3.174 -11.022 1.00 0.00 H new ATOM 724 N LEU A 464 0.252 -5.070 -8.516 1.00 0.00 N ATOM 725 CA LEU A 464 -0.449 -5.380 -7.236 1.00 0.00 C ATOM 726 C LEU A 464 0.429 -6.299 -6.379 1.00 0.00 C ATOM 727 O LEU A 464 0.512 -6.149 -5.175 1.00 0.00 O ATOM 728 CB LEU A 464 -1.776 -6.085 -7.552 1.00 0.00 C ATOM 729 CG LEU A 464 -2.824 -5.048 -7.969 1.00 0.00 C ATOM 730 CD1 LEU A 464 -2.358 -4.334 -9.244 1.00 0.00 C ATOM 731 CD2 LEU A 464 -4.158 -5.749 -8.235 1.00 0.00 C ATOM 0 H LEU A 464 -0.225 -5.395 -9.357 1.00 0.00 H new ATOM 0 HA LEU A 464 -0.642 -4.457 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.632 -6.812 -8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -2.123 -6.636 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 464 -2.951 -4.318 -7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -3.103 -3.596 -9.541 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -1.408 -3.834 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -2.231 -5.064 -10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -4.904 -5.011 -8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -4.032 -6.480 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -4.490 -6.256 -7.329 1.00 0.00 H new ATOM 743 N SER A 465 1.079 -7.250 -6.990 1.00 0.00 N ATOM 744 CA SER A 465 1.946 -8.183 -6.214 1.00 0.00 C ATOM 745 C SER A 465 3.251 -7.478 -5.828 1.00 0.00 C ATOM 746 O SER A 465 4.166 -8.086 -5.311 1.00 0.00 O ATOM 747 CB SER A 465 2.267 -9.408 -7.071 1.00 0.00 C ATOM 748 OG SER A 465 1.080 -9.854 -7.715 1.00 0.00 O ATOM 0 H SER A 465 1.048 -7.422 -7.995 1.00 0.00 H new ATOM 0 HA SER A 465 1.422 -8.493 -5.310 1.00 0.00 H new ATOM 0 HB2 SER A 465 3.025 -9.159 -7.813 1.00 0.00 H new ATOM 0 HB3 SER A 465 2.678 -10.203 -6.450 1.00 0.00 H new ATOM 0 HG SER A 465 1.282 -10.638 -8.267 1.00 0.00 H new ATOM 754 N TYR A 466 3.344 -6.201 -6.079 1.00 0.00 N ATOM 755 CA TYR A 466 4.591 -5.463 -5.729 1.00 0.00 C ATOM 756 C TYR A 466 4.827 -5.534 -4.218 1.00 0.00 C ATOM 757 O TYR A 466 3.918 -5.373 -3.429 1.00 0.00 O ATOM 758 CB TYR A 466 4.456 -3.999 -6.150 1.00 0.00 C ATOM 759 CG TYR A 466 5.720 -3.254 -5.789 1.00 0.00 C ATOM 760 CD1 TYR A 466 6.871 -3.411 -6.572 1.00 0.00 C ATOM 761 CD2 TYR A 466 5.744 -2.410 -4.672 1.00 0.00 C ATOM 762 CE1 TYR A 466 8.044 -2.723 -6.239 1.00 0.00 C ATOM 763 CE2 TYR A 466 6.917 -1.722 -4.339 1.00 0.00 C ATOM 764 CZ TYR A 466 8.067 -1.879 -5.123 1.00 0.00 C ATOM 765 OH TYR A 466 9.223 -1.202 -4.793 1.00 0.00 O ATOM 0 H TYR A 466 2.612 -5.637 -6.511 1.00 0.00 H new ATOM 0 HA TYR A 466 5.433 -5.918 -6.250 1.00 0.00 H new ATOM 0 HB2 TYR A 466 4.276 -3.933 -7.223 1.00 0.00 H new ATOM 0 HB3 TYR A 466 3.599 -3.544 -5.654 1.00 0.00 H new ATOM 0 HD1 TYR A 466 6.853 -4.063 -7.433 1.00 0.00 H new ATOM 0 HD2 TYR A 466 4.857 -2.290 -4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 466 8.931 -2.844 -6.843 1.00 0.00 H new ATOM 0 HE2 TYR A 466 6.935 -1.070 -3.478 1.00 0.00 H new ATOM 0 HH TYR A 466 9.067 -0.659 -3.992 1.00 0.00 H new ATOM 775 N VAL A 467 6.045 -5.773 -3.813 1.00 0.00 N ATOM 776 CA VAL A 467 6.351 -5.856 -2.358 1.00 0.00 C ATOM 777 C VAL A 467 6.454 -4.444 -1.772 1.00 0.00 C ATOM 778 O VAL A 467 7.138 -3.589 -2.300 1.00 0.00 O ATOM 779 CB VAL A 467 7.679 -6.592 -2.166 1.00 0.00 C ATOM 780 CG1 VAL A 467 7.919 -6.848 -0.676 1.00 0.00 C ATOM 781 CG2 VAL A 467 7.624 -7.929 -2.910 1.00 0.00 C ATOM 0 H VAL A 467 6.844 -5.915 -4.431 1.00 0.00 H new ATOM 0 HA VAL A 467 5.555 -6.397 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 467 8.492 -5.983 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 467 8.866 -7.372 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 467 7.954 -5.897 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 467 7.108 -7.457 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 467 8.567 -8.458 -2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 467 6.809 -8.534 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 467 7.456 -7.748 -3.972 1.00 0.00 H new ATOM 791 N LEU A 468 5.772 -4.197 -0.688 1.00 0.00 N ATOM 792 CA LEU A 468 5.817 -2.844 -0.063 1.00 0.00 C ATOM 793 C LEU A 468 7.126 -2.675 0.714 1.00 0.00 C ATOM 794 O LEU A 468 7.650 -3.616 1.277 1.00 0.00 O ATOM 795 CB LEU A 468 4.631 -2.692 0.894 1.00 0.00 C ATOM 796 CG LEU A 468 3.315 -2.894 0.133 1.00 0.00 C ATOM 797 CD1 LEU A 468 2.147 -2.820 1.120 1.00 0.00 C ATOM 798 CD2 LEU A 468 3.152 -1.804 -0.944 1.00 0.00 C ATOM 0 H LEU A 468 5.183 -4.876 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 468 5.762 -2.083 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 468 4.709 -3.420 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 468 4.647 -1.703 1.353 1.00 0.00 H new ATOM 0 HG LEU A 468 3.327 -3.870 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 468 1.208 -2.963 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 468 2.257 -3.600 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 468 2.142 -1.844 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 468 2.214 -1.957 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 468 3.143 -0.823 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 468 3.983 -1.860 -1.647 1.00 0.00 H new ATOM 810 N ASN A 469 7.655 -1.473 0.747 1.00 0.00 N ATOM 811 CA ASN A 469 8.933 -1.210 1.484 1.00 0.00 C ATOM 812 C ASN A 469 8.706 -0.098 2.509 1.00 0.00 C ATOM 813 O ASN A 469 7.856 0.753 2.340 1.00 0.00 O ATOM 814 CB ASN A 469 10.013 -0.779 0.489 1.00 0.00 C ATOM 815 CG ASN A 469 10.401 -1.973 -0.385 1.00 0.00 C ATOM 816 OD1 ASN A 469 10.319 -3.107 0.047 1.00 0.00 O ATOM 817 ND2 ASN A 469 10.818 -1.768 -1.603 1.00 0.00 N ATOM 0 H ASN A 469 7.251 -0.656 0.290 1.00 0.00 H new ATOM 0 HA ASN A 469 9.255 -2.116 1.997 1.00 0.00 H new ATOM 0 HB2 ASN A 469 9.646 0.037 -0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 469 10.887 -0.405 1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 469 11.075 -2.559 -2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 469 10.887 -0.817 -1.965 1.00 0.00 H new ATOM 824 N SER A 470 9.453 -0.109 3.578 1.00 0.00 N ATOM 825 CA SER A 470 9.277 0.936 4.627 1.00 0.00 C ATOM 826 C SER A 470 9.879 2.268 4.163 1.00 0.00 C ATOM 827 O SER A 470 10.885 2.305 3.482 1.00 0.00 O ATOM 828 CB SER A 470 9.973 0.477 5.908 1.00 0.00 C ATOM 829 OG SER A 470 11.274 0.000 5.591 1.00 0.00 O ATOM 0 H SER A 470 10.180 -0.798 3.771 1.00 0.00 H new ATOM 0 HA SER A 470 8.213 1.082 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 470 10.039 1.303 6.616 1.00 0.00 H new ATOM 0 HB3 SER A 470 9.392 -0.310 6.389 1.00 0.00 H new ATOM 0 HG SER A 470 11.724 -0.294 6.411 1.00 0.00 H new ATOM 835 N GLY A 471 9.272 3.364 4.543 1.00 0.00 N ATOM 836 CA GLY A 471 9.801 4.707 4.145 1.00 0.00 C ATOM 837 C GLY A 471 9.106 5.181 2.865 1.00 0.00 C ATOM 838 O GLY A 471 9.077 6.359 2.562 1.00 0.00 O ATOM 0 H GLY A 471 8.428 3.388 5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 471 9.635 5.426 4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 471 10.878 4.651 3.985 1.00 0.00 H new ATOM 842 N ASP A 472 8.552 4.274 2.109 1.00 0.00 N ATOM 843 CA ASP A 472 7.864 4.668 0.845 1.00 0.00 C ATOM 844 C ASP A 472 6.426 5.099 1.147 1.00 0.00 C ATOM 845 O ASP A 472 5.939 4.949 2.251 1.00 0.00 O ATOM 846 CB ASP A 472 7.847 3.476 -0.116 1.00 0.00 C ATOM 847 CG ASP A 472 6.948 2.368 0.442 1.00 0.00 C ATOM 848 OD1 ASP A 472 6.481 2.517 1.558 1.00 0.00 O ATOM 849 OD2 ASP A 472 6.742 1.391 -0.260 1.00 0.00 O ATOM 0 H ASP A 472 8.545 3.274 2.312 1.00 0.00 H new ATOM 0 HA ASP A 472 8.399 5.501 0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 472 7.485 3.792 -1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 472 8.859 3.098 -0.258 1.00 0.00 H new ATOM 854 N GLN A 473 5.745 5.625 0.160 1.00 0.00 N ATOM 855 CA GLN A 473 4.327 6.066 0.344 1.00 0.00 C ATOM 856 C GLN A 473 3.427 5.193 -0.534 1.00 0.00 C ATOM 857 O GLN A 473 3.705 4.983 -1.698 1.00 0.00 O ATOM 858 CB GLN A 473 4.192 7.528 -0.088 1.00 0.00 C ATOM 859 CG GLN A 473 2.745 7.988 0.096 1.00 0.00 C ATOM 860 CD GLN A 473 2.655 9.496 -0.149 1.00 0.00 C ATOM 861 OE1 GLN A 473 3.655 10.185 -0.136 1.00 0.00 O ATOM 862 NE2 GLN A 473 1.491 10.040 -0.374 1.00 0.00 N ATOM 0 H GLN A 473 6.116 5.770 -0.779 1.00 0.00 H new ATOM 0 HA GLN A 473 4.037 5.970 1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 473 4.861 8.155 0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 473 4.489 7.638 -1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 473 2.092 7.457 -0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 473 2.402 7.751 1.103 1.00 0.00 H new ATOM 0 HE21 GLN A 473 0.651 9.461 -0.385 1.00 0.00 H new ATOM 0 HE22 GLN A 473 1.421 11.044 -0.539 1.00 0.00 H new ATOM 871 N VAL A 474 2.356 4.674 0.017 1.00 0.00 N ATOM 872 CA VAL A 474 1.434 3.797 -0.778 1.00 0.00 C ATOM 873 C VAL A 474 0.111 4.521 -1.030 1.00 0.00 C ATOM 874 O VAL A 474 -0.497 5.063 -0.127 1.00 0.00 O ATOM 875 CB VAL A 474 1.155 2.513 0.007 1.00 0.00 C ATOM 876 CG1 VAL A 474 0.212 1.615 -0.798 1.00 0.00 C ATOM 877 CG2 VAL A 474 2.470 1.772 0.259 1.00 0.00 C ATOM 0 H VAL A 474 2.078 4.820 0.988 1.00 0.00 H new ATOM 0 HA VAL A 474 1.905 3.559 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 474 0.691 2.766 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 474 0.014 0.701 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -0.726 2.141 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 474 0.675 1.363 -1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 474 2.271 0.858 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 474 2.934 1.521 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 474 3.142 2.409 0.833 1.00 0.00 H new ATOM 887 N GLU A 475 -0.343 4.518 -2.256 1.00 0.00 N ATOM 888 CA GLU A 475 -1.637 5.184 -2.601 1.00 0.00 C ATOM 889 C GLU A 475 -2.433 4.255 -3.521 1.00 0.00 C ATOM 890 O GLU A 475 -2.039 3.986 -4.639 1.00 0.00 O ATOM 891 CB GLU A 475 -1.354 6.507 -3.317 1.00 0.00 C ATOM 892 CG GLU A 475 -2.675 7.217 -3.624 1.00 0.00 C ATOM 893 CD GLU A 475 -2.385 8.578 -4.257 1.00 0.00 C ATOM 894 OE1 GLU A 475 -1.250 9.020 -4.169 1.00 0.00 O ATOM 895 OE2 GLU A 475 -3.299 9.156 -4.820 1.00 0.00 O ATOM 0 H GLU A 475 0.133 4.077 -3.043 1.00 0.00 H new ATOM 0 HA GLU A 475 -2.209 5.387 -1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 475 -0.724 7.142 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 475 -0.805 6.322 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 475 -3.278 6.610 -4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 475 -3.253 7.345 -2.709 1.00 0.00 H new ATOM 902 N VAL A 476 -3.540 3.751 -3.051 1.00 0.00 N ATOM 903 CA VAL A 476 -4.360 2.823 -3.884 1.00 0.00 C ATOM 904 C VAL A 476 -5.253 3.617 -4.839 1.00 0.00 C ATOM 905 O VAL A 476 -5.849 4.611 -4.472 1.00 0.00 O ATOM 906 CB VAL A 476 -5.225 1.950 -2.972 1.00 0.00 C ATOM 907 CG1 VAL A 476 -4.344 0.907 -2.282 1.00 0.00 C ATOM 908 CG2 VAL A 476 -5.897 2.826 -1.911 1.00 0.00 C ATOM 0 H VAL A 476 -3.915 3.942 -2.122 1.00 0.00 H new ATOM 0 HA VAL A 476 -3.695 2.190 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 476 -5.988 1.449 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -4.959 0.284 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -3.863 0.282 -3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -3.582 1.411 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -6.513 2.203 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.133 3.327 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -6.524 3.572 -2.399 1.00 0.00 H new ATOM 918 N LEU A 477 -5.347 3.179 -6.069 1.00 0.00 N ATOM 919 CA LEU A 477 -6.196 3.890 -7.071 1.00 0.00 C ATOM 920 C LEU A 477 -7.564 3.206 -7.150 1.00 0.00 C ATOM 921 O LEU A 477 -7.660 1.995 -7.193 1.00 0.00 O ATOM 922 CB LEU A 477 -5.516 3.827 -8.441 1.00 0.00 C ATOM 923 CG LEU A 477 -4.109 4.433 -8.353 1.00 0.00 C ATOM 924 CD1 LEU A 477 -3.425 4.318 -9.719 1.00 0.00 C ATOM 925 CD2 LEU A 477 -4.195 5.912 -7.939 1.00 0.00 C ATOM 0 H LEU A 477 -4.867 2.352 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 477 -6.325 4.931 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.456 2.793 -8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -6.110 4.369 -9.177 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.530 3.892 -7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.425 4.747 -9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.354 3.268 -10.003 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -4.009 4.857 -10.465 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.191 6.332 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -4.776 6.464 -8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -4.679 5.990 -6.965 1.00 0.00 H new ATOM 937 N SER A 478 -8.624 3.979 -7.159 1.00 0.00 N ATOM 938 CA SER A 478 -10.003 3.396 -7.227 1.00 0.00 C ATOM 939 C SER A 478 -10.783 4.046 -8.368 1.00 0.00 C ATOM 940 O SER A 478 -10.512 5.161 -8.767 1.00 0.00 O ATOM 941 CB SER A 478 -10.731 3.662 -5.910 1.00 0.00 C ATOM 942 OG SER A 478 -10.135 2.887 -4.877 1.00 0.00 O ATOM 0 H SER A 478 -8.593 4.998 -7.122 1.00 0.00 H new ATOM 0 HA SER A 478 -9.930 2.322 -7.401 1.00 0.00 H new ATOM 0 HB2 SER A 478 -10.679 4.722 -5.661 1.00 0.00 H new ATOM 0 HB3 SER A 478 -11.787 3.408 -6.007 1.00 0.00 H new ATOM 0 HG SER A 478 -9.527 3.451 -4.355 1.00 0.00 H new