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 466 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 469 ASN :FLIP amide:sc= -0.335 F(o=-2!,f=-0.34) USER MOD Single : A 420 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 423 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 425 LYS NZ :NH3+ 162:sc= -0.0205 (180deg=-0.425) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 73:sc= 0.949 USER MOD Single : A 445 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-4!) USER MOD Single : A 446 SER OG : rot 180:sc= 0.268 USER MOD Single : A 451 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.45) USER MOD Single : A 452 CYS SG : rot 39:sc= -3.14! USER MOD Single : A 456 LYS NZ :NH3+ 137:sc= -5.47! (180deg=-8.08!) USER MOD Single : A 458 ASN :FLIP amide:sc= -4.95! C(o=-9!,f=-5!) USER MOD Single : A 459 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 460 LYS NZ :NH3+ 146:sc= -0.212 (180deg=-1.36!) USER MOD Single : A 465 SER OG : rot 180:sc= 0 USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 GLN : amide:sc= -0.0189 K(o=-0.019,f=-1.7!) USER MOD Single : A 478 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 418 8.976 -5.588 10.578 1.00 0.00 N ATOM 19 CA GLU A 418 7.746 -5.050 9.925 1.00 0.00 C ATOM 20 C GLU A 418 8.090 -3.809 9.105 1.00 0.00 C ATOM 21 O GLU A 418 9.082 -3.150 9.348 1.00 0.00 O ATOM 22 CB GLU A 418 6.717 -4.674 10.999 1.00 0.00 C ATOM 23 CG GLU A 418 6.220 -5.937 11.717 1.00 0.00 C ATOM 24 CD GLU A 418 7.222 -6.352 12.798 1.00 0.00 C ATOM 25 OE1 GLU A 418 8.270 -5.732 12.881 1.00 0.00 O ATOM 26 OE2 GLU A 418 6.928 -7.287 13.522 1.00 0.00 O ATOM 0 HA GLU A 418 7.331 -5.814 9.267 1.00 0.00 H new ATOM 0 HB2 GLU A 418 7.165 -3.989 11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 418 5.877 -4.151 10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.244 -5.750 12.166 1.00 0.00 H new ATOM 0 HG3 GLU A 418 6.091 -6.747 10.999 1.00 0.00 H new ATOM 33 N VAL A 419 7.263 -3.485 8.139 1.00 0.00 N ATOM 34 CA VAL A 419 7.511 -2.282 7.286 1.00 0.00 C ATOM 35 C VAL A 419 6.345 -1.311 7.434 1.00 0.00 C ATOM 36 O VAL A 419 5.192 -1.686 7.343 1.00 0.00 O ATOM 37 CB VAL A 419 7.646 -2.711 5.823 1.00 0.00 C ATOM 38 CG1 VAL A 419 8.856 -3.635 5.683 1.00 0.00 C ATOM 39 CG2 VAL A 419 6.383 -3.453 5.375 1.00 0.00 C ATOM 0 H VAL A 419 6.420 -4.008 7.904 1.00 0.00 H new ATOM 0 HA VAL A 419 8.432 -1.792 7.601 1.00 0.00 H new ATOM 0 HB VAL A 419 7.779 -1.828 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 419 8.959 -3.945 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 419 9.756 -3.105 5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 419 8.717 -4.515 6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 419 6.488 -3.754 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 419 6.241 -4.338 5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 419 5.519 -2.796 5.477 1.00 0.00 H new ATOM 49 N MET A 420 6.644 -0.063 7.673 1.00 0.00 N ATOM 50 CA MET A 420 5.569 0.957 7.845 1.00 0.00 C ATOM 51 C MET A 420 5.395 1.745 6.549 1.00 0.00 C ATOM 52 O MET A 420 6.346 2.022 5.846 1.00 0.00 O ATOM 53 CB MET A 420 5.960 1.920 8.971 1.00 0.00 C ATOM 54 CG MET A 420 4.733 2.718 9.406 1.00 0.00 C ATOM 55 SD MET A 420 5.259 4.171 10.349 1.00 0.00 S ATOM 56 CE MET A 420 5.537 3.345 11.933 1.00 0.00 C ATOM 0 H MET A 420 7.595 0.297 7.757 1.00 0.00 H new ATOM 0 HA MET A 420 4.633 0.457 8.094 1.00 0.00 H new ATOM 0 HB2 MET A 420 6.364 1.363 9.817 1.00 0.00 H new ATOM 0 HB3 MET A 420 6.745 2.596 8.630 1.00 0.00 H new ATOM 0 HG2 MET A 420 4.159 3.027 8.533 1.00 0.00 H new ATOM 0 HG3 MET A 420 4.078 2.095 10.014 1.00 0.00 H new ATOM 0 HE1 MET A 420 5.873 4.075 12.670 1.00 0.00 H new ATOM 0 HE2 MET A 420 4.608 2.887 12.273 1.00 0.00 H new ATOM 0 HE3 MET A 420 6.298 2.574 11.813 1.00 0.00 H new ATOM 66 N VAL A 421 4.178 2.116 6.238 1.00 0.00 N ATOM 67 CA VAL A 421 3.908 2.899 4.994 1.00 0.00 C ATOM 68 C VAL A 421 3.026 4.096 5.340 1.00 0.00 C ATOM 69 O VAL A 421 2.418 4.145 6.395 1.00 0.00 O ATOM 70 CB VAL A 421 3.202 2.013 3.969 1.00 0.00 C ATOM 71 CG1 VAL A 421 4.139 0.875 3.563 1.00 0.00 C ATOM 72 CG2 VAL A 421 1.925 1.425 4.578 1.00 0.00 C ATOM 0 H VAL A 421 3.352 1.907 6.799 1.00 0.00 H new ATOM 0 HA VAL A 421 4.849 3.249 4.569 1.00 0.00 H new ATOM 0 HB VAL A 421 2.939 2.609 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 421 3.642 0.238 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 421 5.047 1.290 3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 421 4.397 0.285 4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 421 1.427 0.795 3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 421 2.181 0.828 5.453 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.257 2.234 4.874 1.00 0.00 H new ATOM 82 N PHE A 422 2.965 5.067 4.460 1.00 0.00 N ATOM 83 CA PHE A 422 2.141 6.288 4.723 1.00 0.00 C ATOM 84 C PHE A 422 1.062 6.421 3.654 1.00 0.00 C ATOM 85 O PHE A 422 1.299 6.218 2.479 1.00 0.00 O ATOM 86 CB PHE A 422 3.043 7.519 4.672 1.00 0.00 C ATOM 87 CG PHE A 422 4.066 7.436 5.777 1.00 0.00 C ATOM 88 CD1 PHE A 422 3.751 7.903 7.057 1.00 0.00 C ATOM 89 CD2 PHE A 422 5.331 6.894 5.519 1.00 0.00 C ATOM 90 CE1 PHE A 422 4.700 7.826 8.083 1.00 0.00 C ATOM 91 CE2 PHE A 422 6.280 6.816 6.545 1.00 0.00 C ATOM 92 CZ PHE A 422 5.965 7.285 7.827 1.00 0.00 C ATOM 0 H PHE A 422 3.454 5.065 3.565 1.00 0.00 H new ATOM 0 HA PHE A 422 1.674 6.205 5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 422 3.541 7.579 3.704 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.447 8.425 4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 422 2.776 8.323 7.254 1.00 0.00 H new ATOM 0 HD2 PHE A 422 5.574 6.536 4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 422 4.456 8.184 9.072 1.00 0.00 H new ATOM 0 HE2 PHE A 422 7.255 6.394 6.348 1.00 0.00 H new ATOM 0 HZ PHE A 422 6.698 7.229 8.618 1.00 0.00 H new ATOM 102 N THR A 423 -0.128 6.766 4.065 1.00 0.00 N ATOM 103 CA THR A 423 -1.256 6.926 3.100 1.00 0.00 C ATOM 104 C THR A 423 -1.404 8.415 2.756 1.00 0.00 C ATOM 105 O THR A 423 -0.693 9.249 3.283 1.00 0.00 O ATOM 106 CB THR A 423 -2.567 6.399 3.735 1.00 0.00 C ATOM 107 OG1 THR A 423 -3.393 7.493 4.111 1.00 0.00 O ATOM 108 CG2 THR A 423 -2.256 5.556 4.978 1.00 0.00 C ATOM 0 H THR A 423 -0.370 6.946 5.039 1.00 0.00 H new ATOM 0 HA THR A 423 -1.052 6.357 2.193 1.00 0.00 H new ATOM 0 HB THR A 423 -3.084 5.781 3.001 1.00 0.00 H new ATOM 0 HG1 THR A 423 -4.222 7.155 4.511 1.00 0.00 H new ATOM 0 HG21 THR A 423 -3.187 5.193 5.413 1.00 0.00 H new ATOM 0 HG22 THR A 423 -1.632 4.708 4.696 1.00 0.00 H new ATOM 0 HG23 THR A 423 -1.728 6.168 5.710 1.00 0.00 H new ATOM 116 N PRO A 424 -2.320 8.751 1.880 1.00 0.00 N ATOM 117 CA PRO A 424 -2.556 10.169 1.470 1.00 0.00 C ATOM 118 C PRO A 424 -2.884 11.059 2.677 1.00 0.00 C ATOM 119 O PRO A 424 -2.601 12.241 2.689 1.00 0.00 O ATOM 120 CB PRO A 424 -3.760 10.087 0.509 1.00 0.00 C ATOM 121 CG PRO A 424 -3.793 8.666 0.039 1.00 0.00 C ATOM 122 CD PRO A 424 -3.234 7.827 1.186 1.00 0.00 C ATOM 0 HA PRO A 424 -1.674 10.614 1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 424 -4.687 10.355 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 424 -3.643 10.776 -0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 424 -4.810 8.361 -0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 424 -3.195 8.540 -0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 424 -4.026 7.475 1.847 1.00 0.00 H new ATOM 0 HD3 PRO A 424 -2.709 6.945 0.819 1.00 0.00 H new ATOM 130 N LYS A 425 -3.491 10.495 3.687 1.00 0.00 N ATOM 131 CA LYS A 425 -3.852 11.293 4.894 1.00 0.00 C ATOM 132 C LYS A 425 -2.647 11.351 5.837 1.00 0.00 C ATOM 133 O LYS A 425 -2.667 12.022 6.848 1.00 0.00 O ATOM 134 CB LYS A 425 -5.036 10.625 5.602 1.00 0.00 C ATOM 135 CG LYS A 425 -6.280 10.708 4.710 1.00 0.00 C ATOM 136 CD LYS A 425 -7.467 10.049 5.419 1.00 0.00 C ATOM 137 CE LYS A 425 -8.724 10.186 4.555 1.00 0.00 C ATOM 138 NZ LYS A 425 -8.532 9.450 3.273 1.00 0.00 N ATOM 0 H LYS A 425 -3.754 9.510 3.728 1.00 0.00 H new ATOM 0 HA LYS A 425 -4.130 12.306 4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -4.802 9.583 5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -5.227 11.116 6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -6.510 11.750 4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -6.091 10.212 3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -7.254 8.996 5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -7.629 10.517 6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -9.589 9.790 5.088 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -8.927 11.238 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -9.457 9.281 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -7.938 10.016 2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -8.067 8.539 3.462 1.00 0.00 H new ATOM 152 N GLY A 426 -1.591 10.656 5.502 1.00 0.00 N ATOM 153 CA GLY A 426 -0.371 10.668 6.362 1.00 0.00 C ATOM 154 C GLY A 426 -0.553 9.698 7.530 1.00 0.00 C ATOM 155 O GLY A 426 0.188 9.724 8.492 1.00 0.00 O ATOM 0 H GLY A 426 -1.521 10.078 4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 426 0.502 10.385 5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -0.189 11.675 6.738 1.00 0.00 H new ATOM 159 N GLU A 427 -1.538 8.844 7.457 1.00 0.00 N ATOM 160 CA GLU A 427 -1.774 7.876 8.565 1.00 0.00 C ATOM 161 C GLU A 427 -0.694 6.793 8.566 1.00 0.00 C ATOM 162 O GLU A 427 -0.186 6.401 7.533 1.00 0.00 O ATOM 163 CB GLU A 427 -3.150 7.232 8.390 1.00 0.00 C ATOM 164 CG GLU A 427 -4.230 8.284 8.642 1.00 0.00 C ATOM 165 CD GLU A 427 -5.611 7.682 8.382 1.00 0.00 C ATOM 166 OE1 GLU A 427 -5.673 6.512 8.043 1.00 0.00 O ATOM 167 OE2 GLU A 427 -6.585 8.403 8.527 1.00 0.00 O ATOM 0 H GLU A 427 -2.190 8.775 6.676 1.00 0.00 H new ATOM 0 HA GLU A 427 -1.735 8.408 9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -3.249 6.825 7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -3.267 6.400 9.084 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -4.168 8.644 9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -4.070 9.145 7.993 1.00 0.00 H new ATOM 174 N ILE A 428 -0.344 6.307 9.728 1.00 0.00 N ATOM 175 CA ILE A 428 0.701 5.246 9.826 1.00 0.00 C ATOM 176 C ILE A 428 0.035 3.873 9.765 1.00 0.00 C ATOM 177 O ILE A 428 -0.871 3.576 10.520 1.00 0.00 O ATOM 178 CB ILE A 428 1.459 5.408 11.164 1.00 0.00 C ATOM 179 CG1 ILE A 428 2.572 6.453 11.005 1.00 0.00 C ATOM 180 CG2 ILE A 428 2.080 4.072 11.598 1.00 0.00 C ATOM 181 CD1 ILE A 428 2.012 7.728 10.375 1.00 0.00 C ATOM 0 H ILE A 428 -0.741 6.602 10.620 1.00 0.00 H new ATOM 0 HA ILE A 428 1.405 5.337 8.999 1.00 0.00 H new ATOM 0 HB ILE A 428 0.750 5.734 11.925 1.00 0.00 H new ATOM 0 HG12 ILE A 428 3.009 6.681 11.977 1.00 0.00 H new ATOM 0 HG13 ILE A 428 3.372 6.052 10.382 1.00 0.00 H new ATOM 0 HG21 ILE A 428 2.609 4.206 12.541 1.00 0.00 H new ATOM 0 HG22 ILE A 428 1.293 3.329 11.726 1.00 0.00 H new ATOM 0 HG23 ILE A 428 2.780 3.731 10.835 1.00 0.00 H new ATOM 0 HD11 ILE A 428 2.811 8.462 10.267 1.00 0.00 H new ATOM 0 HD12 ILE A 428 1.597 7.497 9.394 1.00 0.00 H new ATOM 0 HD13 ILE A 428 1.229 8.136 11.014 1.00 0.00 H new ATOM 193 N LYS A 429 0.499 3.029 8.881 1.00 0.00 N ATOM 194 CA LYS A 429 -0.077 1.658 8.761 1.00 0.00 C ATOM 195 C LYS A 429 1.063 0.642 8.745 1.00 0.00 C ATOM 196 O LYS A 429 1.823 0.554 7.802 1.00 0.00 O ATOM 197 CB LYS A 429 -0.884 1.567 7.464 1.00 0.00 C ATOM 198 CG LYS A 429 -1.995 2.629 7.452 1.00 0.00 C ATOM 199 CD LYS A 429 -3.114 2.244 8.429 1.00 0.00 C ATOM 200 CE LYS A 429 -4.261 3.244 8.309 1.00 0.00 C ATOM 201 NZ LYS A 429 -5.366 2.830 9.218 1.00 0.00 N ATOM 0 H LYS A 429 1.259 3.233 8.232 1.00 0.00 H new ATOM 0 HA LYS A 429 -0.734 1.447 9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -0.226 1.710 6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -1.321 0.573 7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -1.582 3.600 7.727 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.401 2.728 6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -3.471 1.237 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -2.732 2.233 9.450 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -3.916 4.245 8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -4.617 3.286 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -6.151 3.508 9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -5.699 1.882 8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -5.020 2.811 10.199 1.00 0.00 H new ATOM 215 N ARG A 430 1.184 -0.121 9.800 1.00 0.00 N ATOM 216 CA ARG A 430 2.270 -1.139 9.882 1.00 0.00 C ATOM 217 C ARG A 430 1.777 -2.464 9.312 1.00 0.00 C ATOM 218 O ARG A 430 0.667 -2.886 9.567 1.00 0.00 O ATOM 219 CB ARG A 430 2.672 -1.334 11.346 1.00 0.00 C ATOM 220 CG ARG A 430 3.361 -0.067 11.856 1.00 0.00 C ATOM 221 CD ARG A 430 3.749 -0.245 13.327 1.00 0.00 C ATOM 222 NE ARG A 430 2.518 -0.285 14.164 1.00 0.00 N ATOM 223 CZ ARG A 430 2.603 -0.472 15.456 1.00 0.00 C ATOM 224 NH1 ARG A 430 3.768 -0.623 16.026 1.00 0.00 N ATOM 225 NH2 ARG A 430 1.516 -0.507 16.179 1.00 0.00 N ATOM 0 H ARG A 430 0.571 -0.081 10.614 1.00 0.00 H new ATOM 0 HA ARG A 430 3.130 -0.797 9.307 1.00 0.00 H new ATOM 0 HB2 ARG A 430 1.791 -1.551 11.951 1.00 0.00 H new ATOM 0 HB3 ARG A 430 3.342 -2.189 11.440 1.00 0.00 H new ATOM 0 HG2 ARG A 430 4.249 0.141 11.259 1.00 0.00 H new ATOM 0 HG3 ARG A 430 2.695 0.789 11.747 1.00 0.00 H new ATOM 0 HD2 ARG A 430 4.319 -1.165 13.455 1.00 0.00 H new ATOM 0 HD3 ARG A 430 4.392 0.575 13.646 1.00 0.00 H new ATOM 0 HE ARG A 430 1.604 -0.166 13.728 1.00 0.00 H new ATOM 0 HH11 ARG A 430 4.618 -0.595 15.463 1.00 0.00 H new ATOM 0 HH12 ARG A 430 3.828 -0.768 17.034 1.00 0.00 H new ATOM 0 HH21 ARG A 430 0.605 -0.389 15.736 1.00 0.00 H new ATOM 0 HH22 ARG A 430 1.578 -0.653 17.187 1.00 0.00 H new ATOM 239 N LEU A 431 2.604 -3.123 8.538 1.00 0.00 N ATOM 240 CA LEU A 431 2.211 -4.430 7.934 1.00 0.00 C ATOM 241 C LEU A 431 3.334 -5.454 8.160 1.00 0.00 C ATOM 242 O LEU A 431 4.495 -5.100 8.206 1.00 0.00 O ATOM 243 CB LEU A 431 1.999 -4.238 6.430 1.00 0.00 C ATOM 244 CG LEU A 431 0.940 -3.158 6.192 1.00 0.00 C ATOM 245 CD1 LEU A 431 0.922 -2.788 4.707 1.00 0.00 C ATOM 246 CD2 LEU A 431 -0.446 -3.676 6.608 1.00 0.00 C ATOM 0 H LEU A 431 3.543 -2.806 8.298 1.00 0.00 H new ATOM 0 HA LEU A 431 1.292 -4.789 8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 431 2.937 -3.952 5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 431 1.684 -5.177 5.975 1.00 0.00 H new ATOM 0 HG LEU A 431 1.184 -2.279 6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 431 0.169 -2.019 4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 431 1.902 -2.410 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 431 0.682 -3.671 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 431 -1.192 -2.900 6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 431 -0.697 -4.558 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 431 -0.434 -3.938 7.666 1.00 0.00 H new ATOM 258 N PRO A 432 2.995 -6.716 8.300 1.00 0.00 N ATOM 259 CA PRO A 432 4.002 -7.797 8.522 1.00 0.00 C ATOM 260 C PRO A 432 4.898 -8.025 7.296 1.00 0.00 C ATOM 261 O PRO A 432 4.531 -7.726 6.177 1.00 0.00 O ATOM 262 CB PRO A 432 3.149 -9.041 8.835 1.00 0.00 C ATOM 263 CG PRO A 432 1.815 -8.768 8.217 1.00 0.00 C ATOM 264 CD PRO A 432 1.620 -7.253 8.268 1.00 0.00 C ATOM 0 HA PRO A 432 4.697 -7.546 9.324 1.00 0.00 H new ATOM 0 HB2 PRO A 432 3.599 -9.942 8.418 1.00 0.00 H new ATOM 0 HB3 PRO A 432 3.060 -9.197 9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 432 1.781 -9.130 7.189 1.00 0.00 H new ATOM 0 HG3 PRO A 432 1.022 -9.281 8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 432 1.071 -6.892 7.398 1.00 0.00 H new ATOM 0 HD3 PRO A 432 1.054 -6.953 9.150 1.00 0.00 H new ATOM 272 N GLN A 433 6.078 -8.542 7.514 1.00 0.00 N ATOM 273 CA GLN A 433 7.022 -8.782 6.385 1.00 0.00 C ATOM 274 C GLN A 433 6.338 -9.587 5.279 1.00 0.00 C ATOM 275 O GLN A 433 5.509 -10.440 5.530 1.00 0.00 O ATOM 276 CB GLN A 433 8.243 -9.553 6.894 1.00 0.00 C ATOM 277 CG GLN A 433 9.230 -9.766 5.742 1.00 0.00 C ATOM 278 CD GLN A 433 10.503 -10.430 6.267 1.00 0.00 C ATOM 279 OE1 GLN A 433 10.462 -11.526 6.787 1.00 0.00 O ATOM 280 NE2 GLN A 433 11.645 -9.806 6.150 1.00 0.00 N ATOM 0 H GLN A 433 6.430 -8.810 8.433 1.00 0.00 H new ATOM 0 HA GLN A 433 7.335 -7.820 5.979 1.00 0.00 H new ATOM 0 HB2 GLN A 433 8.724 -9.001 7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 433 7.934 -10.514 7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 433 8.775 -10.389 4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 433 9.472 -8.810 5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 433 11.680 -8.885 5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 433 12.501 -10.240 6.495 1.00 0.00 H new ATOM 289 N GLY A 434 6.693 -9.314 4.050 1.00 0.00 N ATOM 290 CA GLY A 434 6.084 -10.045 2.904 1.00 0.00 C ATOM 291 C GLY A 434 4.742 -9.403 2.557 1.00 0.00 C ATOM 292 O GLY A 434 3.947 -9.954 1.825 1.00 0.00 O ATOM 0 H GLY A 434 7.384 -8.610 3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 434 6.750 -10.014 2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 434 5.943 -11.095 3.160 1.00 0.00 H new ATOM 296 N ALA A 435 4.487 -8.238 3.089 1.00 0.00 N ATOM 297 CA ALA A 435 3.197 -7.548 2.808 1.00 0.00 C ATOM 298 C ALA A 435 3.148 -7.091 1.353 1.00 0.00 C ATOM 299 O ALA A 435 4.163 -6.810 0.745 1.00 0.00 O ATOM 300 CB ALA A 435 3.064 -6.334 3.724 1.00 0.00 C ATOM 0 H ALA A 435 5.120 -7.733 3.709 1.00 0.00 H new ATOM 0 HA ALA A 435 2.376 -8.242 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 435 2.121 -5.827 3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 435 3.085 -6.659 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 435 3.891 -5.648 3.542 1.00 0.00 H new ATOM 306 N THR A 436 1.965 -7.018 0.793 1.00 0.00 N ATOM 307 CA THR A 436 1.811 -6.585 -0.632 1.00 0.00 C ATOM 308 C THR A 436 0.796 -5.444 -0.720 1.00 0.00 C ATOM 309 O THR A 436 0.146 -5.093 0.245 1.00 0.00 O ATOM 310 CB THR A 436 1.317 -7.765 -1.469 1.00 0.00 C ATOM 311 OG1 THR A 436 0.001 -8.118 -1.059 1.00 0.00 O ATOM 312 CG2 THR A 436 2.253 -8.958 -1.275 1.00 0.00 C ATOM 0 H THR A 436 1.090 -7.242 1.267 1.00 0.00 H new ATOM 0 HA THR A 436 2.774 -6.242 -1.010 1.00 0.00 H new ATOM 0 HB THR A 436 1.305 -7.484 -2.522 1.00 0.00 H new ATOM 0 HG1 THR A 436 -0.317 -8.873 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 436 1.900 -9.799 -1.872 1.00 0.00 H new ATOM 0 HG22 THR A 436 3.260 -8.686 -1.592 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.268 -9.242 -0.223 1.00 0.00 H new ATOM 320 N ALA A 437 0.666 -4.864 -1.881 1.00 0.00 N ATOM 321 CA ALA A 437 -0.291 -3.740 -2.067 1.00 0.00 C ATOM 322 C ALA A 437 -1.702 -4.201 -1.703 1.00 0.00 C ATOM 323 O ALA A 437 -2.523 -3.426 -1.254 1.00 0.00 O ATOM 324 CB ALA A 437 -0.259 -3.306 -3.534 1.00 0.00 C ATOM 0 H ALA A 437 1.188 -5.125 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 437 -0.011 -2.905 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -0.956 -2.482 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 437 0.748 -2.982 -3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -0.546 -4.145 -4.168 1.00 0.00 H new ATOM 330 N LEU A 438 -1.994 -5.458 -1.898 1.00 0.00 N ATOM 331 CA LEU A 438 -3.352 -5.971 -1.569 1.00 0.00 C ATOM 332 C LEU A 438 -3.600 -5.840 -0.063 1.00 0.00 C ATOM 333 O LEU A 438 -4.663 -5.437 0.365 1.00 0.00 O ATOM 334 CB LEU A 438 -3.440 -7.446 -1.973 1.00 0.00 C ATOM 335 CG LEU A 438 -3.407 -7.573 -3.503 1.00 0.00 C ATOM 336 CD1 LEU A 438 -3.248 -9.048 -3.885 1.00 0.00 C ATOM 337 CD2 LEU A 438 -4.709 -7.015 -4.118 1.00 0.00 C ATOM 0 H LEU A 438 -1.348 -6.153 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 438 -4.103 -5.394 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.611 -8.002 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -4.359 -7.885 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 438 -2.565 -6.999 -3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -3.224 -9.142 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.318 -9.434 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -4.088 -9.619 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -4.670 -7.112 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -5.562 -7.575 -3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -4.816 -5.963 -3.852 1.00 0.00 H new ATOM 349 N ASP A 439 -2.628 -6.179 0.740 1.00 0.00 N ATOM 350 CA ASP A 439 -2.799 -6.082 2.218 1.00 0.00 C ATOM 351 C ASP A 439 -3.035 -4.624 2.616 1.00 0.00 C ATOM 352 O ASP A 439 -3.863 -4.322 3.453 1.00 0.00 O ATOM 353 CB ASP A 439 -1.530 -6.591 2.904 1.00 0.00 C ATOM 354 CG ASP A 439 -1.440 -8.112 2.768 1.00 0.00 C ATOM 355 OD1 ASP A 439 -2.439 -8.718 2.418 1.00 0.00 O ATOM 356 OD2 ASP A 439 -0.371 -8.645 3.017 1.00 0.00 O ATOM 0 H ASP A 439 -1.717 -6.521 0.434 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.655 -6.684 2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -0.652 -6.124 2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.538 -6.311 3.957 1.00 0.00 H new ATOM 361 N PHE A 440 -2.303 -3.723 2.025 1.00 0.00 N ATOM 362 CA PHE A 440 -2.457 -2.279 2.354 1.00 0.00 C ATOM 363 C PHE A 440 -3.877 -1.818 2.017 1.00 0.00 C ATOM 364 O PHE A 440 -4.501 -1.097 2.769 1.00 0.00 O ATOM 365 CB PHE A 440 -1.445 -1.475 1.537 1.00 0.00 C ATOM 366 CG PHE A 440 -1.604 -0.001 1.830 1.00 0.00 C ATOM 367 CD1 PHE A 440 -1.233 0.508 3.081 1.00 0.00 C ATOM 368 CD2 PHE A 440 -2.112 0.860 0.849 1.00 0.00 C ATOM 369 CE1 PHE A 440 -1.372 1.873 3.351 1.00 0.00 C ATOM 370 CE2 PHE A 440 -2.251 2.226 1.119 1.00 0.00 C ATOM 371 CZ PHE A 440 -1.879 2.732 2.369 1.00 0.00 C ATOM 0 H PHE A 440 -1.596 -3.928 1.319 1.00 0.00 H new ATOM 0 HA PHE A 440 -2.280 -2.123 3.418 1.00 0.00 H new ATOM 0 HB2 PHE A 440 -0.432 -1.796 1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 440 -1.593 -1.661 0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 440 -0.839 -0.154 3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 440 -2.397 0.469 -0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 440 -1.088 2.264 4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 440 -2.645 2.889 0.363 1.00 0.00 H new ATOM 0 HZ PHE A 440 -1.983 3.787 2.577 1.00 0.00 H new ATOM 381 N ALA A 441 -4.382 -2.217 0.883 1.00 0.00 N ATOM 382 CA ALA A 441 -5.754 -1.798 0.480 1.00 0.00 C ATOM 383 C ALA A 441 -6.763 -2.231 1.547 1.00 0.00 C ATOM 384 O ALA A 441 -7.614 -1.468 1.957 1.00 0.00 O ATOM 385 CB ALA A 441 -6.105 -2.467 -0.849 1.00 0.00 C ATOM 0 H ALA A 441 -3.901 -2.819 0.214 1.00 0.00 H new ATOM 0 HA ALA A 441 -5.789 -0.714 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.108 -2.167 -1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -5.388 -2.161 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -6.070 -3.550 -0.732 1.00 0.00 H new ATOM 391 N TYR A 442 -6.673 -3.453 1.998 1.00 0.00 N ATOM 392 CA TYR A 442 -7.622 -3.945 3.037 1.00 0.00 C ATOM 393 C TYR A 442 -7.412 -3.164 4.335 1.00 0.00 C ATOM 394 O TYR A 442 -8.346 -2.885 5.062 1.00 0.00 O ATOM 395 CB TYR A 442 -7.373 -5.434 3.298 1.00 0.00 C ATOM 396 CG TYR A 442 -7.845 -6.251 2.114 1.00 0.00 C ATOM 397 CD1 TYR A 442 -9.206 -6.276 1.780 1.00 0.00 C ATOM 398 CD2 TYR A 442 -6.927 -6.988 1.354 1.00 0.00 C ATOM 399 CE1 TYR A 442 -9.645 -7.035 0.689 1.00 0.00 C ATOM 400 CE2 TYR A 442 -7.368 -7.746 0.263 1.00 0.00 C ATOM 401 CZ TYR A 442 -8.727 -7.769 -0.070 1.00 0.00 C ATOM 402 OH TYR A 442 -9.162 -8.515 -1.146 1.00 0.00 O ATOM 0 H TYR A 442 -5.980 -4.135 1.690 1.00 0.00 H new ATOM 0 HA TYR A 442 -8.644 -3.802 2.686 1.00 0.00 H new ATOM 0 HB2 TYR A 442 -6.311 -5.609 3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 442 -7.899 -5.747 4.200 1.00 0.00 H new ATOM 0 HD1 TYR A 442 -9.916 -5.710 2.364 1.00 0.00 H new ATOM 0 HD2 TYR A 442 -5.878 -6.971 1.610 1.00 0.00 H new ATOM 0 HE1 TYR A 442 -10.694 -7.054 0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 442 -6.659 -8.313 -0.322 1.00 0.00 H new ATOM 0 HH TYR A 442 -8.397 -8.962 -1.565 1.00 0.00 H new ATOM 412 N SER A 443 -6.192 -2.822 4.637 1.00 0.00 N ATOM 413 CA SER A 443 -5.910 -2.071 5.890 1.00 0.00 C ATOM 414 C SER A 443 -6.672 -0.745 5.876 1.00 0.00 C ATOM 415 O SER A 443 -7.185 -0.302 6.884 1.00 0.00 O ATOM 416 CB SER A 443 -4.409 -1.792 5.984 1.00 0.00 C ATOM 417 OG SER A 443 -3.702 -3.026 5.964 1.00 0.00 O ATOM 0 H SER A 443 -5.373 -3.032 4.066 1.00 0.00 H new ATOM 0 HA SER A 443 -6.229 -2.663 6.748 1.00 0.00 H new ATOM 0 HB2 SER A 443 -4.091 -1.163 5.152 1.00 0.00 H new ATOM 0 HB3 SER A 443 -4.185 -1.246 6.900 1.00 0.00 H new ATOM 0 HG SER A 443 -3.733 -3.406 5.061 1.00 0.00 H new ATOM 423 N LEU A 444 -6.738 -0.103 4.743 1.00 0.00 N ATOM 424 CA LEU A 444 -7.454 1.199 4.663 1.00 0.00 C ATOM 425 C LEU A 444 -8.935 0.995 4.983 1.00 0.00 C ATOM 426 O LEU A 444 -9.525 1.756 5.723 1.00 0.00 O ATOM 427 CB LEU A 444 -7.318 1.757 3.242 1.00 0.00 C ATOM 428 CG LEU A 444 -5.861 2.159 2.974 1.00 0.00 C ATOM 429 CD1 LEU A 444 -5.695 2.506 1.490 1.00 0.00 C ATOM 430 CD2 LEU A 444 -5.469 3.373 3.840 1.00 0.00 C ATOM 0 H LEU A 444 -6.326 -0.425 3.867 1.00 0.00 H new ATOM 0 HA LEU A 444 -7.023 1.896 5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -7.637 1.009 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -7.971 2.621 3.117 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.209 1.324 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -4.661 2.792 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -5.951 1.638 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -6.355 3.335 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -4.433 3.645 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -6.118 4.215 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -5.578 3.118 4.894 1.00 0.00 H new ATOM 442 N HIS A 445 -9.533 -0.029 4.433 1.00 0.00 N ATOM 443 CA HIS A 445 -10.977 -0.291 4.694 1.00 0.00 C ATOM 444 C HIS A 445 -11.310 -1.742 4.323 1.00 0.00 C ATOM 445 O HIS A 445 -10.753 -2.675 4.863 1.00 0.00 O ATOM 446 CB HIS A 445 -11.834 0.651 3.840 1.00 0.00 C ATOM 447 CG HIS A 445 -11.623 2.073 4.275 1.00 0.00 C ATOM 448 ND1 HIS A 445 -12.114 2.557 5.477 1.00 0.00 N ATOM 449 CD2 HIS A 445 -10.972 3.127 3.684 1.00 0.00 C ATOM 450 CE1 HIS A 445 -11.753 3.850 5.571 1.00 0.00 C ATOM 451 NE2 HIS A 445 -11.055 4.248 4.503 1.00 0.00 N ATOM 0 H HIS A 445 -9.080 -0.698 3.811 1.00 0.00 H new ATOM 0 HA HIS A 445 -11.186 -0.122 5.750 1.00 0.00 H new ATOM 0 HB2 HIS A 445 -11.572 0.541 2.788 1.00 0.00 H new ATOM 0 HB3 HIS A 445 -12.887 0.385 3.935 1.00 0.00 H new ATOM 0 HD2 HIS A 445 -10.471 3.091 2.728 1.00 0.00 H new ATOM 0 HE1 HIS A 445 -11.997 4.488 6.407 1.00 0.00 H new ATOM 0 HE2 HIS A 445 -10.667 5.175 4.327 1.00 0.00 H new ATOM 459 N SER A 446 -12.219 -1.928 3.400 1.00 0.00 N ATOM 460 CA SER A 446 -12.605 -3.303 2.978 1.00 0.00 C ATOM 461 C SER A 446 -13.109 -3.260 1.534 1.00 0.00 C ATOM 462 O SER A 446 -12.422 -3.644 0.609 1.00 0.00 O ATOM 463 CB SER A 446 -13.728 -3.812 3.883 1.00 0.00 C ATOM 464 OG SER A 446 -14.686 -2.778 4.062 1.00 0.00 O ATOM 0 H SER A 446 -12.713 -1.177 2.918 1.00 0.00 H new ATOM 0 HA SER A 446 -11.743 -3.966 3.052 1.00 0.00 H new ATOM 0 HB2 SER A 446 -14.200 -4.689 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 446 -13.323 -4.121 4.847 1.00 0.00 H new ATOM 0 HG SER A 446 -15.409 -3.099 4.640 1.00 0.00 H new ATOM 470 N ASP A 447 -14.314 -2.794 1.346 1.00 0.00 N ATOM 471 CA ASP A 447 -14.890 -2.716 -0.023 1.00 0.00 C ATOM 472 C ASP A 447 -14.070 -1.746 -0.868 1.00 0.00 C ATOM 473 O ASP A 447 -13.792 -1.992 -2.024 1.00 0.00 O ATOM 474 CB ASP A 447 -16.330 -2.209 0.067 1.00 0.00 C ATOM 475 CG ASP A 447 -17.224 -3.303 0.654 1.00 0.00 C ATOM 476 OD1 ASP A 447 -16.784 -4.440 0.698 1.00 0.00 O ATOM 477 OD2 ASP A 447 -18.334 -2.985 1.048 1.00 0.00 O ATOM 0 H ASP A 447 -14.928 -2.462 2.090 1.00 0.00 H new ATOM 0 HA ASP A 447 -14.872 -3.704 -0.483 1.00 0.00 H new ATOM 0 HB2 ASP A 447 -16.373 -1.316 0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 447 -16.688 -1.924 -0.922 1.00 0.00 H new ATOM 482 N LEU A 448 -13.694 -0.632 -0.302 1.00 0.00 N ATOM 483 CA LEU A 448 -12.907 0.364 -1.075 1.00 0.00 C ATOM 484 C LEU A 448 -11.568 -0.261 -1.471 1.00 0.00 C ATOM 485 O LEU A 448 -11.113 -0.133 -2.590 1.00 0.00 O ATOM 486 CB LEU A 448 -12.668 1.604 -0.190 1.00 0.00 C ATOM 487 CG LEU A 448 -12.525 2.867 -1.059 1.00 0.00 C ATOM 488 CD1 LEU A 448 -11.446 2.649 -2.128 1.00 0.00 C ATOM 489 CD2 LEU A 448 -13.877 3.204 -1.737 1.00 0.00 C ATOM 0 H LEU A 448 -13.899 -0.370 0.662 1.00 0.00 H new ATOM 0 HA LEU A 448 -13.446 0.660 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 448 -13.498 1.727 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 448 -11.768 1.463 0.408 1.00 0.00 H new ATOM 0 HG LEU A 448 -12.232 3.701 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 448 -11.352 3.547 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 448 -10.492 2.437 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 448 -11.727 1.808 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 448 -13.764 4.099 -2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 448 -14.186 2.370 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 448 -14.633 3.380 -0.972 1.00 0.00 H new ATOM 501 N GLY A 449 -10.933 -0.930 -0.550 1.00 0.00 N ATOM 502 CA GLY A 449 -9.619 -1.557 -0.854 1.00 0.00 C ATOM 503 C GLY A 449 -9.808 -2.667 -1.886 1.00 0.00 C ATOM 504 O GLY A 449 -9.047 -2.795 -2.823 1.00 0.00 O ATOM 0 H GLY A 449 -11.269 -1.069 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 449 -8.926 -0.807 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 449 -9.179 -1.964 0.057 1.00 0.00 H new ATOM 508 N ASP A 450 -10.819 -3.471 -1.715 1.00 0.00 N ATOM 509 CA ASP A 450 -11.076 -4.579 -2.675 1.00 0.00 C ATOM 510 C ASP A 450 -11.522 -4.001 -4.018 1.00 0.00 C ATOM 511 O ASP A 450 -11.299 -4.582 -5.062 1.00 0.00 O ATOM 512 CB ASP A 450 -12.177 -5.482 -2.114 1.00 0.00 C ATOM 513 CG ASP A 450 -12.273 -6.756 -2.953 1.00 0.00 C ATOM 514 OD1 ASP A 450 -11.615 -6.818 -3.979 1.00 0.00 O ATOM 515 OD2 ASP A 450 -13.004 -7.648 -2.556 1.00 0.00 O ATOM 0 H ASP A 450 -11.484 -3.407 -0.944 1.00 0.00 H new ATOM 0 HA ASP A 450 -10.164 -5.158 -2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -11.961 -5.734 -1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -13.132 -4.956 -2.122 1.00 0.00 H new ATOM 520 N HIS A 451 -12.157 -2.861 -3.997 1.00 0.00 N ATOM 521 CA HIS A 451 -12.627 -2.240 -5.264 1.00 0.00 C ATOM 522 C HIS A 451 -11.453 -1.522 -5.926 1.00 0.00 C ATOM 523 O HIS A 451 -11.624 -0.667 -6.771 1.00 0.00 O ATOM 524 CB HIS A 451 -13.744 -1.239 -4.951 1.00 0.00 C ATOM 525 CG HIS A 451 -14.394 -0.791 -6.230 1.00 0.00 C ATOM 526 ND1 HIS A 451 -15.123 -1.658 -7.028 1.00 0.00 N ATOM 527 CD2 HIS A 451 -14.438 0.427 -6.862 1.00 0.00 C ATOM 528 CE1 HIS A 451 -15.571 -0.958 -8.086 1.00 0.00 C ATOM 529 NE2 HIS A 451 -15.181 0.320 -8.034 1.00 0.00 N ATOM 0 H HIS A 451 -12.371 -2.332 -3.152 1.00 0.00 H new ATOM 0 HA HIS A 451 -13.012 -3.005 -5.938 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -14.485 -1.699 -4.297 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -13.337 -0.380 -4.418 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -13.968 1.331 -6.504 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -16.172 -1.377 -8.880 1.00 0.00 H new ATOM 0 HE2 HIS A 451 -15.384 1.058 -8.708 1.00 0.00 H new ATOM 537 N CYS A 452 -10.257 -1.865 -5.533 1.00 0.00 N ATOM 538 CA CYS A 452 -9.056 -1.212 -6.117 1.00 0.00 C ATOM 539 C CYS A 452 -8.737 -1.829 -7.478 1.00 0.00 C ATOM 540 O CYS A 452 -8.714 -3.035 -7.637 1.00 0.00 O ATOM 541 CB CYS A 452 -7.871 -1.420 -5.174 1.00 0.00 C ATOM 542 SG CYS A 452 -8.074 -0.365 -3.721 1.00 0.00 S ATOM 0 H CYS A 452 -10.061 -2.575 -4.827 1.00 0.00 H new ATOM 0 HA CYS A 452 -9.248 -0.147 -6.246 1.00 0.00 H new ATOM 0 HB2 CYS A 452 -7.810 -2.466 -4.873 1.00 0.00 H new ATOM 0 HB3 CYS A 452 -6.938 -1.180 -5.685 1.00 0.00 H new ATOM 0 HG CYS A 452 -9.325 -0.350 -3.367 1.00 0.00 H new ATOM 548 N ILE A 453 -8.488 -1.003 -8.461 1.00 0.00 N ATOM 549 CA ILE A 453 -8.164 -1.511 -9.827 1.00 0.00 C ATOM 550 C ILE A 453 -6.655 -1.416 -10.062 1.00 0.00 C ATOM 551 O ILE A 453 -6.149 -1.844 -11.081 1.00 0.00 O ATOM 552 CB ILE A 453 -8.910 -0.662 -10.865 1.00 0.00 C ATOM 553 CG1 ILE A 453 -8.536 0.817 -10.701 1.00 0.00 C ATOM 554 CG2 ILE A 453 -10.419 -0.828 -10.664 1.00 0.00 C ATOM 555 CD1 ILE A 453 -9.176 1.634 -11.827 1.00 0.00 C ATOM 0 H ILE A 453 -8.496 0.013 -8.374 1.00 0.00 H new ATOM 0 HA ILE A 453 -8.472 -2.552 -9.920 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.631 -0.993 -11.865 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -8.876 1.184 -9.733 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -7.452 0.934 -10.723 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -10.952 -0.226 -11.400 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -10.689 -1.877 -10.788 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -10.691 -0.500 -9.661 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -8.910 2.685 -11.710 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -8.814 1.273 -12.790 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -10.260 1.527 -11.784 1.00 0.00 H new ATOM 567 N GLY A 454 -5.927 -0.858 -9.131 1.00 0.00 N ATOM 568 CA GLY A 454 -4.453 -0.741 -9.314 1.00 0.00 C ATOM 569 C GLY A 454 -3.811 -0.148 -8.059 1.00 0.00 C ATOM 570 O GLY A 454 -4.483 0.175 -7.098 1.00 0.00 O ATOM 0 H GLY A 454 -6.289 -0.480 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -4.026 -1.722 -9.521 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -4.235 -0.110 -10.176 1.00 0.00 H new ATOM 574 N ALA A 455 -2.508 -0.005 -8.063 1.00 0.00 N ATOM 575 CA ALA A 455 -1.801 0.561 -6.873 1.00 0.00 C ATOM 576 C ALA A 455 -0.721 1.536 -7.332 1.00 0.00 C ATOM 577 O ALA A 455 -0.178 1.409 -8.414 1.00 0.00 O ATOM 578 CB ALA A 455 -1.149 -0.573 -6.085 1.00 0.00 C ATOM 0 H ALA A 455 -1.902 -0.257 -8.843 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.520 1.084 -6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -0.633 -0.163 -5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -1.916 -1.274 -5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -0.433 -1.093 -6.721 1.00 0.00 H new ATOM 584 N LYS A 456 -0.402 2.508 -6.512 1.00 0.00 N ATOM 585 CA LYS A 456 0.650 3.503 -6.886 1.00 0.00 C ATOM 586 C LYS A 456 1.609 3.691 -5.710 1.00 0.00 C ATOM 587 O LYS A 456 1.216 4.091 -4.632 1.00 0.00 O ATOM 588 CB LYS A 456 -0.027 4.842 -7.234 1.00 0.00 C ATOM 589 CG LYS A 456 0.829 5.612 -8.244 1.00 0.00 C ATOM 590 CD LYS A 456 0.075 6.855 -8.711 1.00 0.00 C ATOM 591 CE LYS A 456 0.841 7.500 -9.866 1.00 0.00 C ATOM 592 NZ LYS A 456 2.126 8.057 -9.364 1.00 0.00 N ATOM 0 H LYS A 456 -0.827 2.655 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 456 1.212 3.147 -7.750 1.00 0.00 H new ATOM 0 HB2 LYS A 456 -1.019 4.661 -7.648 1.00 0.00 H new ATOM 0 HB3 LYS A 456 -0.162 5.437 -6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 456 1.777 5.899 -7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 456 1.065 4.975 -9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 456 -0.932 6.586 -9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 456 -0.030 7.562 -7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 456 1.033 6.762 -10.645 1.00 0.00 H new ATOM 0 HE3 LYS A 456 0.241 8.291 -10.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 2.888 7.829 -10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 2.044 9.090 -9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 2.345 7.642 -8.436 1.00 0.00 H new ATOM 606 N VAL A 457 2.867 3.402 -5.922 1.00 0.00 N ATOM 607 CA VAL A 457 3.888 3.554 -4.839 1.00 0.00 C ATOM 608 C VAL A 457 5.018 4.457 -5.334 1.00 0.00 C ATOM 609 O VAL A 457 5.481 4.331 -6.451 1.00 0.00 O ATOM 610 CB VAL A 457 4.448 2.177 -4.470 1.00 0.00 C ATOM 611 CG1 VAL A 457 5.650 2.344 -3.539 1.00 0.00 C ATOM 612 CG2 VAL A 457 3.362 1.365 -3.760 1.00 0.00 C ATOM 0 H VAL A 457 3.236 3.063 -6.810 1.00 0.00 H new ATOM 0 HA VAL A 457 3.427 4.002 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 457 4.763 1.657 -5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 457 6.047 1.363 -3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 457 6.422 2.925 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 457 5.339 2.863 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 457 3.756 0.384 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 457 3.050 1.887 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 457 2.505 1.245 -4.423 1.00 0.00 H new ATOM 622 N ASN A 458 5.454 5.369 -4.505 1.00 0.00 N ATOM 623 CA ASN A 458 6.553 6.296 -4.898 1.00 0.00 C ATOM 624 C ASN A 458 6.148 7.055 -6.161 1.00 0.00 C ATOM 625 O ASN A 458 6.955 7.311 -7.030 1.00 0.00 O ATOM 626 CB ASN A 458 7.850 5.509 -5.133 1.00 0.00 C ATOM 627 CG ASN A 458 8.335 4.917 -3.805 1.00 0.00 C ATOM 628 OD1 ASN A 458 8.116 5.562 -2.689 1.00 0.00 O flip ATOM 629 ND2 ASN A 458 8.923 3.854 -3.781 1.00 0.00 N flip ATOM 0 H ASN A 458 5.091 5.511 -3.563 1.00 0.00 H new ATOM 0 HA ASN A 458 6.730 7.012 -4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 458 7.679 4.713 -5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 458 8.614 6.163 -5.553 1.00 0.00 H new ATOM 0 HD21 ASN A 458 9.096 3.347 -4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 458 9.243 3.468 -2.893 1.00 0.00 H new ATOM 636 N HIS A 459 4.894 7.414 -6.252 1.00 0.00 N ATOM 637 CA HIS A 459 4.389 8.164 -7.437 1.00 0.00 C ATOM 638 C HIS A 459 4.631 7.351 -8.707 1.00 0.00 C ATOM 639 O HIS A 459 4.521 7.855 -9.806 1.00 0.00 O ATOM 640 CB HIS A 459 5.097 9.521 -7.543 1.00 0.00 C ATOM 641 CG HIS A 459 4.892 10.289 -6.266 1.00 0.00 C ATOM 642 ND1 HIS A 459 5.930 10.944 -5.624 1.00 0.00 N ATOM 643 CD2 HIS A 459 3.775 10.514 -5.501 1.00 0.00 C ATOM 644 CE1 HIS A 459 5.420 11.528 -4.523 1.00 0.00 C ATOM 645 NE2 HIS A 459 4.111 11.296 -4.401 1.00 0.00 N ATOM 0 H HIS A 459 4.188 7.215 -5.543 1.00 0.00 H new ATOM 0 HA HIS A 459 3.319 8.333 -7.319 1.00 0.00 H new ATOM 0 HB2 HIS A 459 6.162 9.375 -7.727 1.00 0.00 H new ATOM 0 HB3 HIS A 459 4.702 10.085 -8.388 1.00 0.00 H new ATOM 0 HD2 HIS A 459 2.786 10.141 -5.720 1.00 0.00 H new ATOM 0 HE1 HIS A 459 5.999 12.113 -3.824 1.00 0.00 H new ATOM 0 HE2 HIS A 459 3.490 11.622 -3.660 1.00 0.00 H new ATOM 653 N LYS A 460 4.953 6.088 -8.557 1.00 0.00 N ATOM 654 CA LYS A 460 5.202 5.209 -9.743 1.00 0.00 C ATOM 655 C LYS A 460 4.156 4.106 -9.796 1.00 0.00 C ATOM 656 O LYS A 460 3.547 3.758 -8.802 1.00 0.00 O ATOM 657 CB LYS A 460 6.586 4.584 -9.638 1.00 0.00 C ATOM 658 CG LYS A 460 7.641 5.668 -9.869 1.00 0.00 C ATOM 659 CD LYS A 460 9.047 5.074 -9.699 1.00 0.00 C ATOM 660 CE LYS A 460 9.495 4.402 -11.002 1.00 0.00 C ATOM 661 NZ LYS A 460 9.488 5.405 -12.104 1.00 0.00 N ATOM 0 H LYS A 460 5.055 5.625 -7.654 1.00 0.00 H new ATOM 0 HA LYS A 460 5.141 5.811 -10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 460 6.721 4.131 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 460 6.697 3.788 -10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 460 7.532 6.086 -10.870 1.00 0.00 H new ATOM 0 HG3 LYS A 460 7.495 6.486 -9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 460 9.751 5.859 -9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 460 9.048 4.347 -8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 460 10.494 3.983 -10.883 1.00 0.00 H new ATOM 0 HE3 LYS A 460 8.829 3.574 -11.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 10.260 5.196 -12.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 8.578 5.363 -12.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 9.620 6.357 -11.708 1.00 0.00 H new ATOM 675 N LEU A 461 3.928 3.563 -10.959 1.00 0.00 N ATOM 676 CA LEU A 461 2.903 2.494 -11.090 1.00 0.00 C ATOM 677 C LEU A 461 3.535 1.136 -10.795 1.00 0.00 C ATOM 678 O LEU A 461 4.372 0.655 -11.537 1.00 0.00 O ATOM 679 CB LEU A 461 2.344 2.510 -12.526 1.00 0.00 C ATOM 680 CG LEU A 461 0.917 1.936 -12.545 1.00 0.00 C ATOM 681 CD1 LEU A 461 0.918 0.533 -11.919 1.00 0.00 C ATOM 682 CD2 LEU A 461 -0.044 2.867 -11.761 1.00 0.00 C ATOM 0 H LEU A 461 4.408 3.814 -11.824 1.00 0.00 H new ATOM 0 HA LEU A 461 2.095 2.669 -10.380 1.00 0.00 H new ATOM 0 HB2 LEU A 461 2.339 3.530 -12.911 1.00 0.00 H new ATOM 0 HB3 LEU A 461 2.988 1.925 -13.182 1.00 0.00 H new ATOM 0 HG LEU A 461 0.573 1.869 -13.577 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -0.094 0.128 -11.933 1.00 0.00 H new ATOM 0 HD12 LEU A 461 1.578 -0.120 -12.490 1.00 0.00 H new ATOM 0 HD13 LEU A 461 1.270 0.594 -10.889 1.00 0.00 H new ATOM 0 HD21 LEU A 461 -1.051 2.451 -11.781 1.00 0.00 H new ATOM 0 HD22 LEU A 461 0.293 2.951 -10.728 1.00 0.00 H new ATOM 0 HD23 LEU A 461 -0.050 3.855 -12.222 1.00 0.00 H new ATOM 694 N VAL A 462 3.124 0.512 -9.719 1.00 0.00 N ATOM 695 CA VAL A 462 3.674 -0.828 -9.350 1.00 0.00 C ATOM 696 C VAL A 462 2.544 -1.869 -9.379 1.00 0.00 C ATOM 697 O VAL A 462 1.396 -1.550 -9.134 1.00 0.00 O ATOM 698 CB VAL A 462 4.260 -0.759 -7.939 1.00 0.00 C ATOM 699 CG1 VAL A 462 5.593 -0.011 -7.984 1.00 0.00 C ATOM 700 CG2 VAL A 462 3.289 -0.026 -7.006 1.00 0.00 C ATOM 0 H VAL A 462 2.424 0.878 -9.074 1.00 0.00 H new ATOM 0 HA VAL A 462 4.451 -1.113 -10.059 1.00 0.00 H new ATOM 0 HB VAL A 462 4.419 -1.770 -7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 462 6.015 0.041 -6.980 1.00 0.00 H new ATOM 0 HG12 VAL A 462 6.284 -0.538 -8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 462 5.431 0.998 -8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 462 3.713 0.019 -6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 462 3.123 0.986 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 462 2.340 -0.561 -6.975 1.00 0.00 H new ATOM 710 N PRO A 463 2.867 -3.109 -9.667 1.00 0.00 N ATOM 711 CA PRO A 463 1.862 -4.212 -9.717 1.00 0.00 C ATOM 712 C PRO A 463 1.260 -4.528 -8.340 1.00 0.00 C ATOM 713 O PRO A 463 1.792 -4.160 -7.311 1.00 0.00 O ATOM 714 CB PRO A 463 2.653 -5.416 -10.264 1.00 0.00 C ATOM 715 CG PRO A 463 4.090 -5.116 -9.971 1.00 0.00 C ATOM 716 CD PRO A 463 4.223 -3.592 -9.991 1.00 0.00 C ATOM 0 HA PRO A 463 1.006 -3.944 -10.337 1.00 0.00 H new ATOM 0 HB2 PRO A 463 2.340 -6.343 -9.783 1.00 0.00 H new ATOM 0 HB3 PRO A 463 2.488 -5.540 -11.334 1.00 0.00 H new ATOM 0 HG2 PRO A 463 4.381 -5.519 -9.001 1.00 0.00 H new ATOM 0 HG3 PRO A 463 4.742 -5.573 -10.715 1.00 0.00 H new ATOM 0 HD2 PRO A 463 4.955 -3.246 -9.261 1.00 0.00 H new ATOM 0 HD3 PRO A 463 4.552 -3.233 -10.966 1.00 0.00 H new ATOM 724 N LEU A 464 0.145 -5.205 -8.330 1.00 0.00 N ATOM 725 CA LEU A 464 -0.529 -5.559 -7.049 1.00 0.00 C ATOM 726 C LEU A 464 0.385 -6.474 -6.225 1.00 0.00 C ATOM 727 O LEU A 464 0.462 -6.366 -5.018 1.00 0.00 O ATOM 728 CB LEU A 464 -1.844 -6.288 -7.364 1.00 0.00 C ATOM 729 CG LEU A 464 -2.931 -5.267 -7.716 1.00 0.00 C ATOM 730 CD1 LEU A 464 -2.518 -4.488 -8.967 1.00 0.00 C ATOM 731 CD2 LEU A 464 -4.248 -6.000 -7.985 1.00 0.00 C ATOM 0 H LEU A 464 -0.335 -5.533 -9.168 1.00 0.00 H new ATOM 0 HA LEU A 464 -0.738 -4.655 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.698 -6.979 -8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -2.155 -6.883 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 464 -3.061 -4.574 -6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -3.292 -3.762 -9.216 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -1.580 -3.967 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -2.388 -5.179 -9.800 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -5.023 -5.276 -8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -4.116 -6.692 -8.816 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -4.544 -6.555 -7.095 1.00 0.00 H new ATOM 743 N SER A 465 1.068 -7.380 -6.868 1.00 0.00 N ATOM 744 CA SER A 465 1.967 -8.309 -6.127 1.00 0.00 C ATOM 745 C SER A 465 3.236 -7.561 -5.710 1.00 0.00 C ATOM 746 O SER A 465 4.158 -8.135 -5.166 1.00 0.00 O ATOM 747 CB SER A 465 2.337 -9.483 -7.036 1.00 0.00 C ATOM 748 OG SER A 465 1.168 -9.952 -7.696 1.00 0.00 O ATOM 0 H SER A 465 1.042 -7.518 -7.878 1.00 0.00 H new ATOM 0 HA SER A 465 1.460 -8.683 -5.238 1.00 0.00 H new ATOM 0 HB2 SER A 465 3.081 -9.170 -7.768 1.00 0.00 H new ATOM 0 HB3 SER A 465 2.784 -10.285 -6.449 1.00 0.00 H new ATOM 0 HG SER A 465 1.401 -10.703 -8.281 1.00 0.00 H new ATOM 754 N TYR A 466 3.289 -6.283 -5.971 1.00 0.00 N ATOM 755 CA TYR A 466 4.495 -5.486 -5.608 1.00 0.00 C ATOM 756 C TYR A 466 4.699 -5.486 -4.091 1.00 0.00 C ATOM 757 O TYR A 466 3.772 -5.318 -3.323 1.00 0.00 O ATOM 758 CB TYR A 466 4.317 -4.049 -6.098 1.00 0.00 C ATOM 759 CG TYR A 466 5.533 -3.235 -5.722 1.00 0.00 C ATOM 760 CD1 TYR A 466 6.715 -3.361 -6.461 1.00 0.00 C ATOM 761 CD2 TYR A 466 5.477 -2.352 -4.636 1.00 0.00 C ATOM 762 CE1 TYR A 466 7.842 -2.607 -6.112 1.00 0.00 C ATOM 763 CE2 TYR A 466 6.604 -1.599 -4.287 1.00 0.00 C ATOM 764 CZ TYR A 466 7.786 -1.725 -5.027 1.00 0.00 C ATOM 765 OH TYR A 466 8.897 -0.983 -4.684 1.00 0.00 O ATOM 0 H TYR A 466 2.543 -5.754 -6.423 1.00 0.00 H new ATOM 0 HA TYR A 466 5.370 -5.934 -6.079 1.00 0.00 H new ATOM 0 HB2 TYR A 466 4.178 -4.037 -7.179 1.00 0.00 H new ATOM 0 HB3 TYR A 466 3.422 -3.611 -5.656 1.00 0.00 H new ATOM 0 HD1 TYR A 466 6.758 -4.040 -7.300 1.00 0.00 H new ATOM 0 HD2 TYR A 466 4.564 -2.252 -4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 466 8.755 -2.706 -6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 466 6.562 -0.921 -3.447 1.00 0.00 H new ATOM 0 HH TYR A 466 8.688 -0.421 -3.909 1.00 0.00 H new ATOM 775 N VAL A 467 5.917 -5.679 -3.662 1.00 0.00 N ATOM 776 CA VAL A 467 6.216 -5.701 -2.202 1.00 0.00 C ATOM 777 C VAL A 467 6.341 -4.270 -1.668 1.00 0.00 C ATOM 778 O VAL A 467 7.008 -3.432 -2.243 1.00 0.00 O ATOM 779 CB VAL A 467 7.523 -6.459 -1.974 1.00 0.00 C ATOM 780 CG1 VAL A 467 7.923 -6.367 -0.501 1.00 0.00 C ATOM 781 CG2 VAL A 467 7.322 -7.927 -2.358 1.00 0.00 C ATOM 0 H VAL A 467 6.725 -5.824 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 467 5.405 -6.199 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 467 8.311 -6.021 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 467 8.855 -6.909 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 467 8.060 -5.321 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 467 7.139 -6.805 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 467 8.250 -8.475 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 467 6.534 -8.360 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 467 7.038 -7.993 -3.408 1.00 0.00 H new ATOM 791 N LEU A 468 5.689 -3.992 -0.572 1.00 0.00 N ATOM 792 CA LEU A 468 5.739 -2.624 0.018 1.00 0.00 C ATOM 793 C LEU A 468 7.110 -2.357 0.634 1.00 0.00 C ATOM 794 O LEU A 468 7.764 -3.253 1.131 1.00 0.00 O ATOM 795 CB LEU A 468 4.669 -2.514 1.105 1.00 0.00 C ATOM 796 CG LEU A 468 3.291 -2.825 0.509 1.00 0.00 C ATOM 797 CD1 LEU A 468 2.236 -2.766 1.617 1.00 0.00 C ATOM 798 CD2 LEU A 468 2.950 -1.801 -0.588 1.00 0.00 C ATOM 0 H LEU A 468 5.118 -4.661 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 468 5.559 -1.890 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 468 4.889 -3.207 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 468 4.673 -1.511 1.532 1.00 0.00 H new ATOM 0 HG LEU A 468 3.304 -3.822 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 468 1.255 -2.987 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 468 2.475 -3.500 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 468 2.226 -1.769 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 468 1.970 -2.029 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 468 2.938 -0.799 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 468 3.701 -1.849 -1.377 1.00 0.00 H new ATOM 810 N ASN A 469 7.543 -1.119 0.602 1.00 0.00 N ATOM 811 CA ASN A 469 8.875 -0.752 1.179 1.00 0.00 C ATOM 812 C ASN A 469 8.698 0.354 2.221 1.00 0.00 C ATOM 813 O ASN A 469 7.886 1.247 2.072 1.00 0.00 O ATOM 814 CB ASN A 469 9.790 -0.257 0.060 1.00 0.00 C ATOM 815 CG ASN A 469 10.114 -1.417 -0.881 1.00 0.00 C ATOM 816 OD1 ASN A 469 9.812 -2.638 -0.525 1.00 0.00 O flip ATOM 817 ND2 ASN A 469 10.640 -1.212 -1.956 1.00 0.00 N flip ATOM 0 H ASN A 469 7.025 -0.340 0.197 1.00 0.00 H new ATOM 0 HA ASN A 469 9.318 -1.627 1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 469 9.305 0.549 -0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 469 10.709 0.152 0.481 1.00 0.00 H new ATOM 0 HD21 ASN A 469 10.876 -0.260 -2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 469 10.846 -1.992 -2.580 1.00 0.00 H new ATOM 824 N SER A 470 9.454 0.283 3.279 1.00 0.00 N ATOM 825 CA SER A 470 9.352 1.301 4.360 1.00 0.00 C ATOM 826 C SER A 470 9.823 2.669 3.864 1.00 0.00 C ATOM 827 O SER A 470 10.784 2.784 3.129 1.00 0.00 O ATOM 828 CB SER A 470 10.222 0.861 5.536 1.00 0.00 C ATOM 829 OG SER A 470 10.186 1.860 6.546 1.00 0.00 O ATOM 0 H SER A 470 10.147 -0.447 3.443 1.00 0.00 H new ATOM 0 HA SER A 470 8.310 1.386 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 470 9.863 -0.088 5.934 1.00 0.00 H new ATOM 0 HB3 SER A 470 11.248 0.700 5.204 1.00 0.00 H new ATOM 0 HG SER A 470 10.742 1.580 7.303 1.00 0.00 H new ATOM 835 N GLY A 471 9.147 3.710 4.278 1.00 0.00 N ATOM 836 CA GLY A 471 9.532 5.088 3.859 1.00 0.00 C ATOM 837 C GLY A 471 8.775 5.455 2.584 1.00 0.00 C ATOM 838 O GLY A 471 8.377 6.586 2.388 1.00 0.00 O ATOM 0 H GLY A 471 8.336 3.662 4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 471 9.301 5.800 4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 471 10.607 5.142 3.686 1.00 0.00 H new ATOM 842 N ASP A 472 8.577 4.503 1.713 1.00 0.00 N ATOM 843 CA ASP A 472 7.854 4.780 0.443 1.00 0.00 C ATOM 844 C ASP A 472 6.372 5.037 0.717 1.00 0.00 C ATOM 845 O ASP A 472 5.773 4.431 1.584 1.00 0.00 O ATOM 846 CB ASP A 472 7.995 3.579 -0.495 1.00 0.00 C ATOM 847 CG ASP A 472 9.428 3.516 -1.029 1.00 0.00 C ATOM 848 OD1 ASP A 472 10.172 4.451 -0.786 1.00 0.00 O ATOM 849 OD2 ASP A 472 9.754 2.532 -1.672 1.00 0.00 O ATOM 0 H ASP A 472 8.888 3.539 1.830 1.00 0.00 H new ATOM 0 HA ASP A 472 8.286 5.667 -0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 472 7.752 2.659 0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 472 7.290 3.665 -1.322 1.00 0.00 H new ATOM 854 N GLN A 473 5.778 5.933 -0.026 1.00 0.00 N ATOM 855 CA GLN A 473 4.334 6.241 0.173 1.00 0.00 C ATOM 856 C GLN A 473 3.491 5.263 -0.639 1.00 0.00 C ATOM 857 O GLN A 473 3.856 4.876 -1.733 1.00 0.00 O ATOM 858 CB GLN A 473 4.051 7.667 -0.300 1.00 0.00 C ATOM 859 CG GLN A 473 2.568 7.983 -0.096 1.00 0.00 C ATOM 860 CD GLN A 473 2.311 9.462 -0.389 1.00 0.00 C ATOM 861 OE1 GLN A 473 3.230 10.254 -0.424 1.00 0.00 O ATOM 862 NE2 GLN A 473 1.090 9.865 -0.605 1.00 0.00 N ATOM 0 H GLN A 473 6.235 6.467 -0.766 1.00 0.00 H new ATOM 0 HA GLN A 473 4.083 6.149 1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 473 4.665 8.375 0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 473 4.316 7.773 -1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 473 1.960 7.361 -0.753 1.00 0.00 H new ATOM 0 HG3 GLN A 473 2.274 7.748 0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 473 0.320 9.197 -0.575 1.00 0.00 H new ATOM 0 HE22 GLN A 473 0.905 10.848 -0.804 1.00 0.00 H new ATOM 871 N VAL A 474 2.368 4.856 -0.104 1.00 0.00 N ATOM 872 CA VAL A 474 1.482 3.890 -0.822 1.00 0.00 C ATOM 873 C VAL A 474 0.120 4.530 -1.079 1.00 0.00 C ATOM 874 O VAL A 474 -0.487 5.105 -0.196 1.00 0.00 O ATOM 875 CB VAL A 474 1.304 2.643 0.043 1.00 0.00 C ATOM 876 CG1 VAL A 474 0.434 1.625 -0.698 1.00 0.00 C ATOM 877 CG2 VAL A 474 2.677 2.030 0.329 1.00 0.00 C ATOM 0 H VAL A 474 2.024 5.155 0.809 1.00 0.00 H new ATOM 0 HA VAL A 474 1.934 3.619 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 474 0.820 2.914 0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 474 0.308 0.736 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -0.542 2.064 -0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 474 0.916 1.349 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 474 2.557 1.140 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 474 3.157 1.758 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 474 3.297 2.755 0.856 1.00 0.00 H new ATOM 887 N GLU A 475 -0.367 4.422 -2.286 1.00 0.00 N ATOM 888 CA GLU A 475 -1.697 5.007 -2.624 1.00 0.00 C ATOM 889 C GLU A 475 -2.445 4.048 -3.550 1.00 0.00 C ATOM 890 O GLU A 475 -1.945 3.641 -4.580 1.00 0.00 O ATOM 891 CB GLU A 475 -1.503 6.355 -3.321 1.00 0.00 C ATOM 892 CG GLU A 475 -2.871 6.974 -3.609 1.00 0.00 C ATOM 893 CD GLU A 475 -2.690 8.359 -4.229 1.00 0.00 C ATOM 894 OE1 GLU A 475 -1.575 8.677 -4.608 1.00 0.00 O ATOM 895 OE2 GLU A 475 -3.671 9.080 -4.313 1.00 0.00 O ATOM 0 H GLU A 475 0.103 3.950 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 475 -2.275 5.158 -1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 475 -0.914 7.022 -2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 475 -0.948 6.221 -4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 475 -3.436 6.333 -4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 475 -3.448 7.050 -2.687 1.00 0.00 H new ATOM 902 N VAL A 476 -3.645 3.682 -3.182 1.00 0.00 N ATOM 903 CA VAL A 476 -4.448 2.743 -4.020 1.00 0.00 C ATOM 904 C VAL A 476 -5.368 3.535 -4.951 1.00 0.00 C ATOM 905 O VAL A 476 -6.035 4.463 -4.540 1.00 0.00 O ATOM 906 CB VAL A 476 -5.285 1.842 -3.110 1.00 0.00 C ATOM 907 CG1 VAL A 476 -4.354 1.016 -2.222 1.00 0.00 C ATOM 908 CG2 VAL A 476 -6.200 2.697 -2.227 1.00 0.00 C ATOM 0 H VAL A 476 -4.107 3.997 -2.329 1.00 0.00 H new ATOM 0 HA VAL A 476 -3.777 2.130 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 476 -5.895 1.180 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -4.947 0.373 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -3.706 0.402 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -3.745 1.684 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -6.793 2.048 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.594 3.364 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -6.865 3.288 -2.857 1.00 0.00 H new ATOM 918 N LEU A 477 -5.400 3.178 -6.210 1.00 0.00 N ATOM 919 CA LEU A 477 -6.264 3.911 -7.183 1.00 0.00 C ATOM 920 C LEU A 477 -7.613 3.204 -7.306 1.00 0.00 C ATOM 921 O LEU A 477 -7.711 2.104 -7.812 1.00 0.00 O ATOM 922 CB LEU A 477 -5.572 3.938 -8.548 1.00 0.00 C ATOM 923 CG LEU A 477 -4.185 4.580 -8.410 1.00 0.00 C ATOM 924 CD1 LEU A 477 -3.486 4.574 -9.773 1.00 0.00 C ATOM 925 CD2 LEU A 477 -4.323 6.028 -7.906 1.00 0.00 C ATOM 0 H LEU A 477 -4.863 2.407 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 477 -6.425 4.931 -6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.478 2.925 -8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -6.175 4.500 -9.261 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.594 4.010 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.500 5.029 -9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.379 3.547 -10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -4.080 5.141 -10.489 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.334 6.476 -7.811 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -4.916 6.605 -8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -4.817 6.030 -6.934 1.00 0.00 H new ATOM 937 N SER A 478 -8.653 3.839 -6.836 1.00 0.00 N ATOM 938 CA SER A 478 -10.011 3.227 -6.902 1.00 0.00 C ATOM 939 C SER A 478 -10.696 3.612 -8.216 1.00 0.00 C ATOM 940 O SER A 478 -10.202 4.420 -8.979 1.00 0.00 O ATOM 941 CB SER A 478 -10.847 3.735 -5.728 1.00 0.00 C ATOM 942 OG SER A 478 -12.222 3.486 -5.986 1.00 0.00 O ATOM 0 H SER A 478 -8.619 4.763 -6.406 1.00 0.00 H new ATOM 0 HA SER A 478 -9.920 2.142 -6.852 1.00 0.00 H new ATOM 0 HB2 SER A 478 -10.542 3.237 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 478 -10.680 4.802 -5.583 1.00 0.00 H new ATOM 0 HG SER A 478 -12.760 3.810 -5.233 1.00 0.00 H new