USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 414 SER OG : rot 180:sc= 0 USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 418 SER OG : rot 9:sc= -1.05 USER MOD Single : A 421 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 425 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 429 CYS SG : rot 60:sc= 0.304 USER MOD Single : A 435 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.9!) USER MOD Single : A 437 GLN : amide:sc= -0.0272 K(o=-0.027,f=-1.1) USER MOD Single : A 439 LYS NZ :NH3+ 175:sc=-0.00392 (180deg=-0.0471) USER MOD Single : A 442 SER OG : rot 8:sc= 0.51 USER MOD Single : A 446 ASN : amide:sc= 1.45 K(o=1.5,f=-3.8!) USER MOD Single : A 447 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00538) USER MOD Single : A 449 THR OG1 : rot 180:sc=-0.00475 USER MOD Single : A 451 MET CE :methyl 153:sc=-0.00356 (180deg=-0.0209) USER MOD Single : A 453 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000642) USER MOD Single : A 454 HIS : no HD1:sc= -0.306 K(o=-0.31,f=-3.4!) USER MOD Single : A 458 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00678) USER MOD Single : A 460 MET CE :methyl 170:sc= 0 (180deg=-0.0796) USER MOD Single : A 466 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.5!) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 413 -17.088 18.449 2.535 1.00 0.00 N ATOM 2 CA GLY A 413 -16.099 19.256 1.846 1.00 0.00 C ATOM 3 C GLY A 413 -14.900 18.446 1.395 1.00 0.00 C ATOM 4 O GLY A 413 -15.026 17.551 0.559 1.00 0.00 O ATOM 0 HA2 GLY A 413 -16.561 19.729 0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -15.765 20.057 2.506 1.00 0.00 H new ATOM 8 N SER A 414 -13.733 18.760 1.949 1.00 0.00 N ATOM 9 CA SER A 414 -12.505 18.058 1.595 1.00 0.00 C ATOM 10 C SER A 414 -12.662 16.554 1.798 1.00 0.00 C ATOM 11 O SER A 414 -13.389 16.108 2.686 1.00 0.00 O ATOM 12 CB SER A 414 -11.336 18.578 2.433 1.00 0.00 C ATOM 13 OG SER A 414 -10.813 19.778 1.890 1.00 0.00 O ATOM 0 H SER A 414 -13.612 19.496 2.645 1.00 0.00 H new ATOM 0 HA SER A 414 -12.299 18.245 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 414 -11.668 18.753 3.457 1.00 0.00 H new ATOM 0 HB3 SER A 414 -10.551 17.823 2.477 1.00 0.00 H new ATOM 0 HG SER A 414 -10.068 20.091 2.445 1.00 0.00 H new ATOM 19 N SER A 415 -11.974 15.776 0.968 1.00 0.00 N ATOM 20 CA SER A 415 -12.038 14.322 1.053 1.00 0.00 C ATOM 21 C SER A 415 -11.258 13.813 2.261 1.00 0.00 C ATOM 22 O SER A 415 -10.030 13.881 2.295 1.00 0.00 O ATOM 23 CB SER A 415 -11.487 13.691 -0.227 1.00 0.00 C ATOM 24 OG SER A 415 -12.098 12.438 -0.482 1.00 0.00 O ATOM 0 H SER A 415 -11.366 16.129 0.229 1.00 0.00 H new ATOM 0 HA SER A 415 -13.083 14.035 1.171 1.00 0.00 H new ATOM 0 HB2 SER A 415 -11.659 14.361 -1.069 1.00 0.00 H new ATOM 0 HB3 SER A 415 -10.408 13.562 -0.137 1.00 0.00 H new ATOM 0 HG SER A 415 -11.730 12.056 -1.306 1.00 0.00 H new ATOM 30 N GLY A 416 -11.982 13.303 3.253 1.00 0.00 N ATOM 31 CA GLY A 416 -11.342 12.789 4.450 1.00 0.00 C ATOM 32 C GLY A 416 -12.116 11.646 5.076 1.00 0.00 C ATOM 33 O GLY A 416 -12.732 11.807 6.129 1.00 0.00 O ATOM 0 H GLY A 416 -13.000 13.237 3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 416 -10.336 12.450 4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 416 -11.238 13.594 5.177 1.00 0.00 H new ATOM 37 N SER A 417 -12.086 10.487 4.425 1.00 0.00 N ATOM 38 CA SER A 417 -12.794 9.313 4.921 1.00 0.00 C ATOM 39 C SER A 417 -11.958 8.052 4.727 1.00 0.00 C ATOM 40 O SER A 417 -11.650 7.665 3.600 1.00 0.00 O ATOM 41 CB SER A 417 -14.138 9.162 4.206 1.00 0.00 C ATOM 42 OG SER A 417 -14.756 7.930 4.536 1.00 0.00 O ATOM 0 H SER A 417 -11.579 10.336 3.553 1.00 0.00 H new ATOM 0 HA SER A 417 -12.971 9.450 5.988 1.00 0.00 H new ATOM 0 HB2 SER A 417 -14.795 9.987 4.482 1.00 0.00 H new ATOM 0 HB3 SER A 417 -13.988 9.220 3.128 1.00 0.00 H new ATOM 0 HG SER A 417 -15.614 7.859 4.068 1.00 0.00 H new ATOM 48 N SER A 418 -11.594 7.415 5.835 1.00 0.00 N ATOM 49 CA SER A 418 -10.790 6.199 5.789 1.00 0.00 C ATOM 50 C SER A 418 -11.590 5.000 6.289 1.00 0.00 C ATOM 51 O SER A 418 -12.010 4.958 7.444 1.00 0.00 O ATOM 52 CB SER A 418 -9.523 6.368 6.630 1.00 0.00 C ATOM 53 OG SER A 418 -8.479 6.949 5.868 1.00 0.00 O ATOM 0 H SER A 418 -11.843 7.721 6.776 1.00 0.00 H new ATOM 0 HA SER A 418 -10.508 6.018 4.752 1.00 0.00 H new ATOM 0 HB2 SER A 418 -9.738 6.995 7.495 1.00 0.00 H new ATOM 0 HB3 SER A 418 -9.203 5.398 7.011 1.00 0.00 H new ATOM 0 HG SER A 418 -8.834 7.256 5.008 1.00 0.00 H new ATOM 59 N GLY A 419 -11.796 4.025 5.409 1.00 0.00 N ATOM 60 CA GLY A 419 -12.544 2.837 5.778 1.00 0.00 C ATOM 61 C GLY A 419 -11.838 1.558 5.374 1.00 0.00 C ATOM 62 O GLY A 419 -12.475 0.603 4.930 1.00 0.00 O ATOM 0 H GLY A 419 -11.458 4.037 4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -12.706 2.834 6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -13.527 2.870 5.308 1.00 0.00 H new ATOM 66 N PHE A 420 -10.518 1.539 5.526 1.00 0.00 N ATOM 67 CA PHE A 420 -9.724 0.369 5.172 1.00 0.00 C ATOM 68 C PHE A 420 -8.799 -0.028 6.318 1.00 0.00 C ATOM 69 O PHE A 420 -8.246 0.828 7.008 1.00 0.00 O ATOM 70 CB PHE A 420 -8.903 0.646 3.911 1.00 0.00 C ATOM 71 CG PHE A 420 -9.720 1.178 2.768 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.311 0.314 1.860 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.896 2.542 2.602 1.00 0.00 C ATOM 74 CE1 PHE A 420 -11.064 0.801 0.808 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.648 3.035 1.552 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.231 2.163 0.653 1.00 0.00 C ATOM 0 H PHE A 420 -9.976 2.321 5.892 1.00 0.00 H new ATOM 0 HA PHE A 420 -10.408 -0.458 4.978 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -8.117 1.362 4.149 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -8.411 -0.275 3.598 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -10.182 -0.752 1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.441 3.228 3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -11.521 0.117 0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.780 4.101 1.435 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.816 2.546 -0.170 1.00 0.00 H new ATOM 86 N GLN A 421 -8.636 -1.333 6.514 1.00 0.00 N ATOM 87 CA GLN A 421 -7.779 -1.844 7.578 1.00 0.00 C ATOM 88 C GLN A 421 -6.473 -2.390 7.009 1.00 0.00 C ATOM 89 O GLN A 421 -6.445 -3.031 5.958 1.00 0.00 O ATOM 90 CB GLN A 421 -8.503 -2.937 8.365 1.00 0.00 C ATOM 91 CG GLN A 421 -9.794 -2.465 9.014 1.00 0.00 C ATOM 92 CD GLN A 421 -9.579 -1.919 10.412 1.00 0.00 C ATOM 93 OE1 GLN A 421 -8.677 -1.114 10.644 1.00 0.00 O ATOM 94 NE2 GLN A 421 -10.408 -2.356 11.352 1.00 0.00 N ATOM 0 H GLN A 421 -9.086 -2.055 5.951 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.545 -1.018 8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -8.725 -3.768 7.696 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.836 -3.319 9.138 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -10.248 -1.693 8.392 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -10.499 -3.295 9.057 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -11.142 -3.024 11.115 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -10.311 -2.024 12.312 1.00 0.00 H new ATOM 103 N PRO A 422 -5.364 -2.131 7.718 1.00 0.00 N ATOM 104 CA PRO A 422 -4.035 -2.588 7.303 1.00 0.00 C ATOM 105 C PRO A 422 -3.878 -4.100 7.425 1.00 0.00 C ATOM 106 O PRO A 422 -4.727 -4.778 8.001 1.00 0.00 O ATOM 107 CB PRO A 422 -3.094 -1.873 8.277 1.00 0.00 C ATOM 108 CG PRO A 422 -3.927 -1.611 9.484 1.00 0.00 C ATOM 109 CD PRO A 422 -5.323 -1.373 8.980 1.00 0.00 C ATOM 0 HA PRO A 422 -3.836 -2.365 6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -2.230 -2.492 8.519 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.712 -0.945 7.850 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.899 -2.458 10.169 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.557 -0.745 10.033 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -6.072 -1.729 9.687 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.517 -0.313 8.818 1.00 0.00 H new ATOM 117 N GLY A 423 -2.784 -4.623 6.877 1.00 0.00 N ATOM 118 CA GLY A 423 -2.536 -6.052 6.936 1.00 0.00 C ATOM 119 C GLY A 423 -2.879 -6.753 5.636 1.00 0.00 C ATOM 120 O GLY A 423 -2.090 -7.549 5.126 1.00 0.00 O ATOM 0 H GLY A 423 -2.066 -4.083 6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.487 -6.226 7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.122 -6.487 7.746 1.00 0.00 H new ATOM 124 N ASP A 424 -4.058 -6.459 5.101 1.00 0.00 N ATOM 125 CA ASP A 424 -4.504 -7.068 3.853 1.00 0.00 C ATOM 126 C ASP A 424 -3.459 -6.889 2.756 1.00 0.00 C ATOM 127 O ASP A 424 -2.463 -6.191 2.943 1.00 0.00 O ATOM 128 CB ASP A 424 -5.835 -6.458 3.410 1.00 0.00 C ATOM 129 CG ASP A 424 -6.982 -6.846 4.323 1.00 0.00 C ATOM 130 OD1 ASP A 424 -6.913 -7.933 4.933 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.948 -6.061 4.427 1.00 0.00 O ATOM 0 H ASP A 424 -4.722 -5.803 5.511 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.642 -8.135 4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.744 -5.372 3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.059 -6.781 2.393 1.00 0.00 H new ATOM 136 N ASN A 425 -3.692 -7.525 1.613 1.00 0.00 N ATOM 137 CA ASN A 425 -2.770 -7.437 0.487 1.00 0.00 C ATOM 138 C ASN A 425 -3.345 -6.560 -0.621 1.00 0.00 C ATOM 139 O ASN A 425 -4.482 -6.753 -1.053 1.00 0.00 O ATOM 140 CB ASN A 425 -2.464 -8.833 -0.059 1.00 0.00 C ATOM 141 CG ASN A 425 -1.742 -9.704 0.951 1.00 0.00 C ATOM 142 OD1 ASN A 425 -1.237 -9.214 1.961 1.00 0.00 O ATOM 143 ND2 ASN A 425 -1.690 -11.003 0.682 1.00 0.00 N ATOM 0 H ASN A 425 -4.512 -8.107 1.442 1.00 0.00 H new ATOM 0 HA ASN A 425 -1.845 -6.982 0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -3.395 -9.317 -0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -1.855 -8.743 -0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -1.217 -11.638 1.325 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -2.123 -11.366 -0.168 1.00 0.00 H new ATOM 150 N VAL A 426 -2.552 -5.596 -1.077 1.00 0.00 N ATOM 151 CA VAL A 426 -2.982 -4.690 -2.136 1.00 0.00 C ATOM 152 C VAL A 426 -1.849 -4.419 -3.120 1.00 0.00 C ATOM 153 O VAL A 426 -0.718 -4.859 -2.916 1.00 0.00 O ATOM 154 CB VAL A 426 -3.479 -3.350 -1.561 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.683 -3.571 -0.658 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.360 -2.645 -0.810 1.00 0.00 C ATOM 0 H VAL A 426 -1.609 -5.422 -0.730 1.00 0.00 H new ATOM 0 HA VAL A 426 -3.804 -5.180 -2.658 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.788 -2.711 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -5.021 -2.614 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.488 -4.030 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.404 -4.228 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.729 -1.700 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.018 -3.277 0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.530 -2.452 -1.490 1.00 0.00 H new ATOM 166 N GLU A 427 -2.162 -3.691 -4.188 1.00 0.00 N ATOM 167 CA GLU A 427 -1.169 -3.362 -5.204 1.00 0.00 C ATOM 168 C GLU A 427 -1.453 -1.994 -5.819 1.00 0.00 C ATOM 169 O GLU A 427 -2.588 -1.517 -5.802 1.00 0.00 O ATOM 170 CB GLU A 427 -1.153 -4.432 -6.298 1.00 0.00 C ATOM 171 CG GLU A 427 -2.111 -4.146 -7.443 1.00 0.00 C ATOM 172 CD GLU A 427 -3.550 -4.022 -6.982 1.00 0.00 C ATOM 173 OE1 GLU A 427 -3.892 -4.618 -5.939 1.00 0.00 O ATOM 174 OE2 GLU A 427 -4.334 -3.330 -7.664 1.00 0.00 O ATOM 0 H GLU A 427 -3.094 -3.319 -4.372 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.191 -3.329 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -0.142 -4.519 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -1.406 -5.396 -5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -1.812 -3.223 -7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -2.037 -4.944 -8.181 1.00 0.00 H new ATOM 181 N VAL A 428 -0.413 -1.368 -6.361 1.00 0.00 N ATOM 182 CA VAL A 428 -0.549 -0.056 -6.981 1.00 0.00 C ATOM 183 C VAL A 428 -1.070 -0.175 -8.409 1.00 0.00 C ATOM 184 O VAL A 428 -0.614 -1.022 -9.178 1.00 0.00 O ATOM 185 CB VAL A 428 0.793 0.700 -6.997 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.627 2.070 -7.636 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.350 0.824 -5.587 1.00 0.00 C ATOM 0 H VAL A 428 0.533 -1.749 -6.383 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.266 0.505 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 428 1.504 0.131 -7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.586 2.589 -7.638 1.00 0.00 H new ATOM 0 HG12 VAL A 428 0.275 1.953 -8.661 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.099 2.651 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.298 1.361 -5.616 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.643 1.371 -4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.509 -0.170 -5.170 1.00 0.00 H new ATOM 197 N CYS A 429 -2.026 0.679 -8.757 1.00 0.00 N ATOM 198 CA CYS A 429 -2.610 0.670 -10.094 1.00 0.00 C ATOM 199 C CYS A 429 -2.143 1.879 -10.899 1.00 0.00 C ATOM 200 O CYS A 429 -2.113 1.843 -12.129 1.00 0.00 O ATOM 201 CB CYS A 429 -4.136 0.659 -10.006 1.00 0.00 C ATOM 202 SG CYS A 429 -4.858 -0.996 -9.907 1.00 0.00 S ATOM 0 H CYS A 429 -2.413 1.386 -8.132 1.00 0.00 H new ATOM 0 HA CYS A 429 -2.277 -0.234 -10.604 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -4.443 1.231 -9.130 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -4.543 1.170 -10.879 1.00 0.00 H new ATOM 0 HG CYS A 429 -4.403 -1.606 -8.853 1.00 0.00 H new ATOM 208 N GLU A 430 -1.781 2.948 -10.196 1.00 0.00 N ATOM 209 CA GLU A 430 -1.319 4.168 -10.847 1.00 0.00 C ATOM 210 C GLU A 430 0.037 4.599 -10.295 1.00 0.00 C ATOM 211 O GLU A 430 0.482 4.108 -9.258 1.00 0.00 O ATOM 212 CB GLU A 430 -2.339 5.292 -10.656 1.00 0.00 C ATOM 213 CG GLU A 430 -2.184 6.430 -11.651 1.00 0.00 C ATOM 214 CD GLU A 430 -3.436 7.277 -11.768 1.00 0.00 C ATOM 215 OE1 GLU A 430 -4.406 6.816 -12.407 1.00 0.00 O ATOM 216 OE2 GLU A 430 -3.447 8.400 -11.223 1.00 0.00 O ATOM 0 H GLU A 430 -1.799 2.994 -9.177 1.00 0.00 H new ATOM 0 HA GLU A 430 -1.210 3.962 -11.912 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -3.344 4.878 -10.744 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.245 5.689 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -1.349 7.062 -11.347 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -1.934 6.020 -12.630 1.00 0.00 H new ATOM 223 N GLY A 431 0.690 5.519 -10.997 1.00 0.00 N ATOM 224 CA GLY A 431 1.989 6.000 -10.563 1.00 0.00 C ATOM 225 C GLY A 431 3.132 5.217 -11.178 1.00 0.00 C ATOM 226 O GLY A 431 2.934 4.460 -12.127 1.00 0.00 O ATOM 0 H GLY A 431 0.343 5.940 -11.859 1.00 0.00 H new ATOM 0 HA2 GLY A 431 2.090 7.053 -10.827 1.00 0.00 H new ATOM 0 HA3 GLY A 431 2.052 5.937 -9.477 1.00 0.00 H new ATOM 230 N GLU A 432 4.332 5.402 -10.637 1.00 0.00 N ATOM 231 CA GLU A 432 5.512 4.708 -11.141 1.00 0.00 C ATOM 232 C GLU A 432 5.701 3.371 -10.431 1.00 0.00 C ATOM 233 O GLU A 432 6.671 2.654 -10.681 1.00 0.00 O ATOM 234 CB GLU A 432 6.758 5.576 -10.959 1.00 0.00 C ATOM 235 CG GLU A 432 7.160 5.766 -9.506 1.00 0.00 C ATOM 236 CD GLU A 432 6.500 6.974 -8.871 1.00 0.00 C ATOM 237 OE1 GLU A 432 5.659 7.611 -9.539 1.00 0.00 O ATOM 238 OE2 GLU A 432 6.824 7.283 -7.705 1.00 0.00 O ATOM 0 H GLU A 432 4.513 6.026 -9.851 1.00 0.00 H new ATOM 0 HA GLU A 432 5.364 4.517 -12.204 1.00 0.00 H new ATOM 0 HB2 GLU A 432 7.588 5.123 -11.501 1.00 0.00 H new ATOM 0 HB3 GLU A 432 6.579 6.553 -11.408 1.00 0.00 H new ATOM 0 HG2 GLU A 432 6.895 4.873 -8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 432 8.243 5.874 -9.444 1.00 0.00 H new ATOM 245 N LEU A 433 4.769 3.042 -9.544 1.00 0.00 N ATOM 246 CA LEU A 433 4.833 1.791 -8.795 1.00 0.00 C ATOM 247 C LEU A 433 3.768 0.812 -9.280 1.00 0.00 C ATOM 248 O LEU A 433 3.630 -0.287 -8.742 1.00 0.00 O ATOM 249 CB LEU A 433 4.653 2.058 -7.300 1.00 0.00 C ATOM 250 CG LEU A 433 5.652 3.027 -6.667 1.00 0.00 C ATOM 251 CD1 LEU A 433 5.103 3.584 -5.363 1.00 0.00 C ATOM 252 CD2 LEU A 433 6.989 2.338 -6.434 1.00 0.00 C ATOM 0 H LEU A 433 3.960 3.623 -9.325 1.00 0.00 H new ATOM 0 HA LEU A 433 5.814 1.346 -8.962 1.00 0.00 H new ATOM 0 HB2 LEU A 433 3.648 2.447 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.715 1.107 -6.771 1.00 0.00 H new ATOM 0 HG LEU A 433 5.809 3.858 -7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 433 5.828 4.272 -4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 433 4.171 4.115 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 433 4.916 2.766 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 433 7.688 3.043 -5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 433 6.849 1.488 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.389 1.989 -7.386 1.00 0.00 H new ATOM 264 N ILE A 434 3.019 1.217 -10.300 1.00 0.00 N ATOM 265 CA ILE A 434 1.969 0.375 -10.859 1.00 0.00 C ATOM 266 C ILE A 434 2.414 -1.083 -10.930 1.00 0.00 C ATOM 267 O ILE A 434 3.586 -1.374 -11.162 1.00 0.00 O ATOM 268 CB ILE A 434 1.561 0.844 -12.268 1.00 0.00 C ATOM 269 CG1 ILE A 434 0.315 0.092 -12.739 1.00 0.00 C ATOM 270 CG2 ILE A 434 2.709 0.643 -13.246 1.00 0.00 C ATOM 271 CD1 ILE A 434 -0.245 0.607 -14.046 1.00 0.00 C ATOM 0 H ILE A 434 3.120 2.124 -10.756 1.00 0.00 H new ATOM 0 HA ILE A 434 1.109 0.459 -10.194 1.00 0.00 H new ATOM 0 HB ILE A 434 1.326 1.908 -12.227 1.00 0.00 H new ATOM 0 HG12 ILE A 434 0.559 -0.965 -12.849 1.00 0.00 H new ATOM 0 HG13 ILE A 434 -0.455 0.163 -11.970 1.00 0.00 H new ATOM 0 HG21 ILE A 434 2.405 0.979 -14.237 1.00 0.00 H new ATOM 0 HG22 ILE A 434 3.573 1.220 -12.916 1.00 0.00 H new ATOM 0 HG23 ILE A 434 2.972 -0.414 -13.286 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -1.127 0.027 -14.318 1.00 0.00 H new ATOM 0 HD12 ILE A 434 -0.521 1.656 -13.936 1.00 0.00 H new ATOM 0 HD13 ILE A 434 0.508 0.510 -14.828 1.00 0.00 H new ATOM 283 N ASN A 435 1.468 -1.994 -10.729 1.00 0.00 N ATOM 284 CA ASN A 435 1.761 -3.422 -10.772 1.00 0.00 C ATOM 285 C ASN A 435 2.729 -3.812 -9.658 1.00 0.00 C ATOM 286 O ASN A 435 3.629 -4.628 -9.861 1.00 0.00 O ATOM 287 CB ASN A 435 2.351 -3.803 -12.131 1.00 0.00 C ATOM 288 CG ASN A 435 1.441 -3.421 -13.283 1.00 0.00 C ATOM 289 OD1 ASN A 435 0.252 -3.166 -13.092 1.00 0.00 O ATOM 290 ND2 ASN A 435 1.999 -3.379 -14.488 1.00 0.00 N ATOM 0 H ASN A 435 0.492 -1.769 -10.535 1.00 0.00 H new ATOM 0 HA ASN A 435 0.827 -3.964 -10.625 1.00 0.00 H new ATOM 0 HB2 ASN A 435 3.316 -3.312 -12.256 1.00 0.00 H new ATOM 0 HB3 ASN A 435 2.534 -4.877 -12.157 1.00 0.00 H new ATOM 0 HD21 ASN A 435 1.437 -3.128 -15.302 1.00 0.00 H new ATOM 0 HD22 ASN A 435 2.989 -3.598 -14.600 1.00 0.00 H new ATOM 297 N LEU A 436 2.536 -3.224 -8.483 1.00 0.00 N ATOM 298 CA LEU A 436 3.391 -3.510 -7.336 1.00 0.00 C ATOM 299 C LEU A 436 2.598 -4.184 -6.220 1.00 0.00 C ATOM 300 O LEU A 436 1.851 -3.529 -5.495 1.00 0.00 O ATOM 301 CB LEU A 436 4.029 -2.220 -6.816 1.00 0.00 C ATOM 302 CG LEU A 436 4.660 -2.297 -5.425 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.027 -2.959 -5.495 1.00 0.00 C ATOM 304 CD2 LEU A 436 4.769 -0.908 -4.812 1.00 0.00 C ATOM 0 H LEU A 436 1.796 -2.547 -8.299 1.00 0.00 H new ATOM 0 HA LEU A 436 4.177 -4.192 -7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.796 -1.906 -7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.267 -1.440 -6.805 1.00 0.00 H new ATOM 0 HG LEU A 436 4.017 -2.905 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.461 -3.005 -4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 436 5.922 -3.969 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.679 -2.379 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 436 5.220 -0.981 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.390 -0.277 -5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 436 3.775 -0.469 -4.726 1.00 0.00 H new ATOM 316 N GLN A 437 2.769 -5.495 -6.089 1.00 0.00 N ATOM 317 CA GLN A 437 2.070 -6.257 -5.060 1.00 0.00 C ATOM 318 C GLN A 437 2.692 -6.017 -3.688 1.00 0.00 C ATOM 319 O GLN A 437 3.906 -5.866 -3.564 1.00 0.00 O ATOM 320 CB GLN A 437 2.101 -7.750 -5.393 1.00 0.00 C ATOM 321 CG GLN A 437 3.495 -8.280 -5.685 1.00 0.00 C ATOM 322 CD GLN A 437 3.544 -9.794 -5.740 1.00 0.00 C ATOM 323 OE1 GLN A 437 2.778 -10.477 -5.060 1.00 0.00 O ATOM 324 NE2 GLN A 437 4.447 -10.328 -6.554 1.00 0.00 N ATOM 0 H GLN A 437 3.385 -6.052 -6.682 1.00 0.00 H new ATOM 0 HA GLN A 437 1.034 -5.919 -5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 437 1.677 -8.309 -4.559 1.00 0.00 H new ATOM 0 HB3 GLN A 437 1.463 -7.934 -6.257 1.00 0.00 H new ATOM 0 HG2 GLN A 437 3.842 -7.874 -6.635 1.00 0.00 H new ATOM 0 HG3 GLN A 437 4.183 -7.926 -4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 437 5.062 -9.724 -7.100 1.00 0.00 H new ATOM 0 HE22 GLN A 437 4.526 -11.342 -6.634 1.00 0.00 H new ATOM 333 N GLY A 438 1.849 -5.982 -2.660 1.00 0.00 N ATOM 334 CA GLY A 438 2.334 -5.759 -1.311 1.00 0.00 C ATOM 335 C GLY A 438 1.235 -5.872 -0.273 1.00 0.00 C ATOM 336 O GLY A 438 0.083 -6.150 -0.606 1.00 0.00 O ATOM 0 H GLY A 438 0.839 -6.104 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 438 3.118 -6.482 -1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.787 -4.769 -1.250 1.00 0.00 H new ATOM 340 N LYS A 439 1.591 -5.659 0.989 1.00 0.00 N ATOM 341 CA LYS A 439 0.627 -5.739 2.080 1.00 0.00 C ATOM 342 C LYS A 439 0.526 -4.406 2.815 1.00 0.00 C ATOM 343 O LYS A 439 1.499 -3.656 2.896 1.00 0.00 O ATOM 344 CB LYS A 439 1.024 -6.845 3.060 1.00 0.00 C ATOM 345 CG LYS A 439 1.999 -6.387 4.131 1.00 0.00 C ATOM 346 CD LYS A 439 2.894 -7.524 4.593 1.00 0.00 C ATOM 347 CE LYS A 439 3.342 -7.332 6.034 1.00 0.00 C ATOM 348 NZ LYS A 439 4.554 -6.472 6.128 1.00 0.00 N ATOM 0 H LYS A 439 2.541 -5.429 1.282 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.348 -5.974 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 439 0.126 -7.233 3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.470 -7.669 2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 439 2.613 -5.575 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 439 1.446 -5.989 4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 439 2.360 -8.470 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 439 3.768 -7.587 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 439 2.532 -6.883 6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 439 3.550 -8.304 6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 4.778 -6.296 7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 5.357 -6.952 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 4.375 -5.567 5.649 1.00 0.00 H new ATOM 362 N ILE A 440 -0.656 -4.118 3.349 1.00 0.00 N ATOM 363 CA ILE A 440 -0.882 -2.877 4.080 1.00 0.00 C ATOM 364 C ILE A 440 -0.375 -2.983 5.514 1.00 0.00 C ATOM 365 O ILE A 440 -0.355 -4.067 6.099 1.00 0.00 O ATOM 366 CB ILE A 440 -2.375 -2.500 4.102 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.977 -2.629 2.701 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.557 -1.087 4.635 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.486 -2.723 2.697 1.00 0.00 C ATOM 0 H ILE A 440 -1.472 -4.727 3.289 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.327 -2.098 3.558 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.898 -3.188 4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.673 -1.769 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.565 -3.515 2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.618 -0.835 4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -2.161 -1.027 5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -2.023 -0.385 3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.842 -2.812 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.798 -3.599 3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.908 -1.826 3.151 1.00 0.00 H new ATOM 381 N LEU A 441 0.033 -1.851 6.077 1.00 0.00 N ATOM 382 CA LEU A 441 0.539 -1.816 7.444 1.00 0.00 C ATOM 383 C LEU A 441 -0.347 -0.946 8.330 1.00 0.00 C ATOM 384 O LEU A 441 -0.674 -1.319 9.456 1.00 0.00 O ATOM 385 CB LEU A 441 1.974 -1.288 7.465 1.00 0.00 C ATOM 386 CG LEU A 441 3.025 -2.173 6.793 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.307 -1.392 6.552 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.301 -3.408 7.638 1.00 0.00 C ATOM 0 H LEU A 441 0.023 -0.945 5.608 1.00 0.00 H new ATOM 0 HA LEU A 441 0.527 -2.833 7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 441 1.988 -0.311 6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.268 -1.134 8.503 1.00 0.00 H new ATOM 0 HG LEU A 441 2.636 -2.497 5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.042 -2.039 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.098 -0.540 5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 441 4.701 -1.037 7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.051 -4.026 7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.669 -3.104 8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.381 -3.980 7.758 1.00 0.00 H new ATOM 400 N SER A 442 -0.734 0.216 7.812 1.00 0.00 N ATOM 401 CA SER A 442 -1.582 1.140 8.557 1.00 0.00 C ATOM 402 C SER A 442 -2.378 2.031 7.608 1.00 0.00 C ATOM 403 O SER A 442 -2.188 1.990 6.393 1.00 0.00 O ATOM 404 CB SER A 442 -0.733 2.003 9.493 1.00 0.00 C ATOM 405 OG SER A 442 -0.237 1.241 10.579 1.00 0.00 O ATOM 0 H SER A 442 -0.474 0.540 6.880 1.00 0.00 H new ATOM 0 HA SER A 442 -2.283 0.553 9.151 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.099 2.436 8.938 1.00 0.00 H new ATOM 0 HB3 SER A 442 -1.331 2.833 9.870 1.00 0.00 H new ATOM 0 HG SER A 442 -0.440 0.293 10.433 1.00 0.00 H new ATOM 411 N VAL A 443 -3.272 2.836 8.173 1.00 0.00 N ATOM 412 CA VAL A 443 -4.098 3.739 7.380 1.00 0.00 C ATOM 413 C VAL A 443 -4.097 5.145 7.968 1.00 0.00 C ATOM 414 O VAL A 443 -4.500 5.350 9.113 1.00 0.00 O ATOM 415 CB VAL A 443 -5.550 3.234 7.286 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.430 4.264 6.595 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.604 1.900 6.558 1.00 0.00 C ATOM 0 H VAL A 443 -3.443 2.881 9.178 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.665 3.767 6.380 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.931 3.086 8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.452 3.890 6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.416 5.194 7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -6.054 4.447 5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.637 1.558 6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.205 2.019 5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -5.008 1.165 7.100 1.00 0.00 H new ATOM 427 N ASP A 444 -3.642 6.111 7.177 1.00 0.00 N ATOM 428 CA ASP A 444 -3.590 7.500 7.619 1.00 0.00 C ATOM 429 C ASP A 444 -4.392 8.398 6.683 1.00 0.00 C ATOM 430 O ASP A 444 -3.892 8.837 5.648 1.00 0.00 O ATOM 431 CB ASP A 444 -2.140 7.981 7.690 1.00 0.00 C ATOM 432 CG ASP A 444 -1.289 7.122 8.604 1.00 0.00 C ATOM 433 OD1 ASP A 444 -1.834 6.587 9.593 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.079 6.983 8.331 1.00 0.00 O ATOM 0 H ASP A 444 -3.304 5.958 6.227 1.00 0.00 H new ATOM 0 HA ASP A 444 -4.032 7.556 8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.710 7.978 6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -2.119 9.012 8.042 1.00 0.00 H new ATOM 439 N GLY A 445 -5.641 8.666 7.053 1.00 0.00 N ATOM 440 CA GLY A 445 -6.492 9.510 6.235 1.00 0.00 C ATOM 441 C GLY A 445 -6.452 9.126 4.769 1.00 0.00 C ATOM 442 O GLY A 445 -6.815 8.009 4.403 1.00 0.00 O ATOM 0 H GLY A 445 -6.078 8.314 7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.518 9.445 6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.181 10.549 6.344 1.00 0.00 H new ATOM 446 N ASN A 446 -6.010 10.055 3.927 1.00 0.00 N ATOM 447 CA ASN A 446 -5.926 9.809 2.492 1.00 0.00 C ATOM 448 C ASN A 446 -4.697 8.970 2.156 1.00 0.00 C ATOM 449 O ASN A 446 -4.698 8.208 1.188 1.00 0.00 O ATOM 450 CB ASN A 446 -5.878 11.134 1.728 1.00 0.00 C ATOM 451 CG ASN A 446 -6.647 12.235 2.432 1.00 0.00 C ATOM 452 OD1 ASN A 446 -6.274 12.668 3.523 1.00 0.00 O ATOM 453 ND2 ASN A 446 -7.727 12.693 1.810 1.00 0.00 N ATOM 0 H ASN A 446 -5.705 10.985 4.214 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.815 9.256 2.190 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -4.840 11.442 1.604 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -6.289 10.989 0.729 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -8.285 13.433 2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -7.999 12.304 0.907 1.00 0.00 H new ATOM 460 N LYS A 447 -3.650 9.114 2.960 1.00 0.00 N ATOM 461 CA LYS A 447 -2.415 8.369 2.751 1.00 0.00 C ATOM 462 C LYS A 447 -2.476 7.009 3.437 1.00 0.00 C ATOM 463 O LYS A 447 -2.998 6.885 4.546 1.00 0.00 O ATOM 464 CB LYS A 447 -1.219 9.165 3.279 1.00 0.00 C ATOM 465 CG LYS A 447 -0.638 10.136 2.266 1.00 0.00 C ATOM 466 CD LYS A 447 -1.502 11.378 2.126 1.00 0.00 C ATOM 467 CE LYS A 447 -1.285 12.341 3.283 1.00 0.00 C ATOM 468 NZ LYS A 447 -0.023 13.117 3.131 1.00 0.00 N ATOM 0 H LYS A 447 -3.632 9.741 3.764 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.294 8.210 1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.526 9.719 4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.440 8.469 3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.368 10.424 2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -0.548 9.643 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -1.271 11.879 1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -2.552 11.089 2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -2.128 13.029 3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -1.258 11.783 4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 0.054 13.809 3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.789 12.469 3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.030 13.616 2.219 1.00 0.00 H new ATOM 482 N ILE A 448 -1.940 5.991 2.772 1.00 0.00 N ATOM 483 CA ILE A 448 -1.932 4.640 3.320 1.00 0.00 C ATOM 484 C ILE A 448 -0.523 4.057 3.326 1.00 0.00 C ATOM 485 O ILE A 448 0.018 3.701 2.279 1.00 0.00 O ATOM 486 CB ILE A 448 -2.860 3.704 2.523 1.00 0.00 C ATOM 487 CG1 ILE A 448 -4.230 4.356 2.324 1.00 0.00 C ATOM 488 CG2 ILE A 448 -3.002 2.367 3.236 1.00 0.00 C ATOM 489 CD1 ILE A 448 -5.054 4.429 3.591 1.00 0.00 C ATOM 0 H ILE A 448 -1.506 6.076 1.853 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.296 4.713 4.345 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.418 3.526 1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -4.090 5.364 1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.784 3.795 1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.661 1.716 2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -2.022 1.899 3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.425 2.527 4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -6.012 4.902 3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.225 3.422 3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.520 5.015 4.339 1.00 0.00 H new ATOM 501 N THR A 449 0.066 3.960 4.514 1.00 0.00 N ATOM 502 CA THR A 449 1.412 3.419 4.657 1.00 0.00 C ATOM 503 C THR A 449 1.407 1.898 4.560 1.00 0.00 C ATOM 504 O THR A 449 0.821 1.216 5.402 1.00 0.00 O ATOM 505 CB THR A 449 2.045 3.835 5.999 1.00 0.00 C ATOM 506 OG1 THR A 449 1.996 5.259 6.143 1.00 0.00 O ATOM 507 CG2 THR A 449 3.487 3.360 6.087 1.00 0.00 C ATOM 0 H THR A 449 -0.368 4.249 5.391 1.00 0.00 H new ATOM 0 HA THR A 449 2.006 3.830 3.841 1.00 0.00 H new ATOM 0 HB THR A 449 1.476 3.369 6.804 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.399 5.515 6.999 1.00 0.00 H new ATOM 0 HG21 THR A 449 3.913 3.665 7.043 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.518 2.273 6.006 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.065 3.800 5.275 1.00 0.00 H new ATOM 515 N ILE A 450 2.062 1.373 3.531 1.00 0.00 N ATOM 516 CA ILE A 450 2.133 -0.069 3.326 1.00 0.00 C ATOM 517 C ILE A 450 3.559 -0.509 3.010 1.00 0.00 C ATOM 518 O ILE A 450 4.457 0.320 2.865 1.00 0.00 O ATOM 519 CB ILE A 450 1.203 -0.522 2.186 1.00 0.00 C ATOM 520 CG1 ILE A 450 1.744 -0.043 0.837 1.00 0.00 C ATOM 521 CG2 ILE A 450 -0.207 0.000 2.413 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.176 -0.799 -0.344 1.00 0.00 C ATOM 0 H ILE A 450 2.551 1.924 2.826 1.00 0.00 H new ATOM 0 HA ILE A 450 1.808 -0.537 4.255 1.00 0.00 H new ATOM 0 HB ILE A 450 1.168 -1.611 2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.521 1.018 0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 450 2.829 -0.142 0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.852 -0.329 1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.590 -0.386 3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 450 -0.191 1.089 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.603 -0.407 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.422 -1.857 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.093 -0.679 -0.366 1.00 0.00 H new ATOM 534 N MET A 451 3.758 -1.818 2.904 1.00 0.00 N ATOM 535 CA MET A 451 5.074 -2.369 2.602 1.00 0.00 C ATOM 536 C MET A 451 5.057 -3.123 1.276 1.00 0.00 C ATOM 537 O MET A 451 4.418 -4.166 1.136 1.00 0.00 O ATOM 538 CB MET A 451 5.531 -3.301 3.726 1.00 0.00 C ATOM 539 CG MET A 451 7.040 -3.352 3.898 1.00 0.00 C ATOM 540 SD MET A 451 7.861 -4.239 2.560 1.00 0.00 S ATOM 541 CE MET A 451 9.371 -3.289 2.399 1.00 0.00 C ATOM 0 H MET A 451 3.025 -2.517 3.023 1.00 0.00 H new ATOM 0 HA MET A 451 5.777 -1.540 2.519 1.00 0.00 H new ATOM 0 HB2 MET A 451 5.078 -2.977 4.663 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.162 -4.307 3.525 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.431 -2.336 3.949 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.278 -3.833 4.847 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.161 -3.926 2.002 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.204 -2.453 1.720 1.00 0.00 H new ATOM 0 HE3 MET A 451 9.668 -2.909 3.377 1.00 0.00 H new ATOM 551 N PRO A 452 5.775 -2.585 0.279 1.00 0.00 N ATOM 552 CA PRO A 452 5.858 -3.191 -1.053 1.00 0.00 C ATOM 553 C PRO A 452 6.654 -4.491 -1.050 1.00 0.00 C ATOM 554 O PRO A 452 7.497 -4.713 -0.180 1.00 0.00 O ATOM 555 CB PRO A 452 6.577 -2.125 -1.883 1.00 0.00 C ATOM 556 CG PRO A 452 7.369 -1.343 -0.893 1.00 0.00 C ATOM 557 CD PRO A 452 6.561 -1.344 0.376 1.00 0.00 C ATOM 0 HA PRO A 452 4.875 -3.461 -1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.222 -2.578 -2.636 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.867 -1.490 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.348 -1.794 -0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.540 -0.326 -1.246 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.200 -1.341 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.919 -0.466 0.444 1.00 0.00 H new ATOM 565 N LYS A 453 6.384 -5.348 -2.028 1.00 0.00 N ATOM 566 CA LYS A 453 7.076 -6.626 -2.140 1.00 0.00 C ATOM 567 C LYS A 453 8.027 -6.627 -3.333 1.00 0.00 C ATOM 568 O LYS A 453 7.685 -7.114 -4.411 1.00 0.00 O ATOM 569 CB LYS A 453 6.065 -7.767 -2.279 1.00 0.00 C ATOM 570 CG LYS A 453 5.403 -8.156 -0.968 1.00 0.00 C ATOM 571 CD LYS A 453 4.230 -9.095 -1.193 1.00 0.00 C ATOM 572 CE LYS A 453 3.486 -9.378 0.103 1.00 0.00 C ATOM 573 NZ LYS A 453 4.282 -10.237 1.023 1.00 0.00 N ATOM 0 H LYS A 453 5.689 -5.180 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 453 7.660 -6.775 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.295 -7.474 -2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 453 6.569 -8.639 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 453 6.135 -8.636 -0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 453 5.059 -7.259 -0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 453 3.545 -8.656 -1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 453 4.589 -10.032 -1.620 1.00 0.00 H new ATOM 0 HE2 LYS A 453 3.249 -8.437 0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 453 2.538 -9.867 -0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 3.734 -10.421 1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 4.501 -11.139 0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 5.168 -9.752 1.272 1.00 0.00 H new ATOM 587 N HIS A 454 9.222 -6.081 -3.132 1.00 0.00 N ATOM 588 CA HIS A 454 10.223 -6.021 -4.191 1.00 0.00 C ATOM 589 C HIS A 454 11.570 -6.537 -3.695 1.00 0.00 C ATOM 590 O HIS A 454 11.700 -6.951 -2.544 1.00 0.00 O ATOM 591 CB HIS A 454 10.369 -4.588 -4.703 1.00 0.00 C ATOM 592 CG HIS A 454 10.790 -4.504 -6.138 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.054 -4.116 -6.530 1.00 0.00 N ATOM 594 CD2 HIS A 454 10.107 -4.764 -7.278 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.130 -4.138 -7.849 1.00 0.00 C ATOM 596 NE2 HIS A 454 10.962 -4.529 -8.327 1.00 0.00 N ATOM 0 H HIS A 454 9.521 -5.674 -2.246 1.00 0.00 H new ATOM 0 HA HIS A 454 9.889 -6.659 -5.010 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.418 -4.069 -4.581 1.00 0.00 H new ATOM 0 HB3 HIS A 454 11.100 -4.064 -4.087 1.00 0.00 H new ATOM 0 HD2 HIS A 454 9.081 -5.095 -7.349 1.00 0.00 H new ATOM 0 HE1 HIS A 454 12.999 -3.880 -8.436 1.00 0.00 H new ATOM 0 HE2 HIS A 454 10.732 -4.639 -9.315 1.00 0.00 H new ATOM 604 N GLU A 455 12.569 -6.508 -4.572 1.00 0.00 N ATOM 605 CA GLU A 455 13.905 -6.974 -4.222 1.00 0.00 C ATOM 606 C GLU A 455 14.799 -5.807 -3.813 1.00 0.00 C ATOM 607 O GLU A 455 15.584 -5.914 -2.871 1.00 0.00 O ATOM 608 CB GLU A 455 14.533 -7.723 -5.400 1.00 0.00 C ATOM 609 CG GLU A 455 14.007 -9.138 -5.572 1.00 0.00 C ATOM 610 CD GLU A 455 14.629 -10.114 -4.592 1.00 0.00 C ATOM 611 OE1 GLU A 455 14.537 -9.870 -3.371 1.00 0.00 O ATOM 612 OE2 GLU A 455 15.208 -11.123 -5.047 1.00 0.00 O ATOM 0 H GLU A 455 12.478 -6.167 -5.529 1.00 0.00 H new ATOM 0 HA GLU A 455 13.814 -7.654 -3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 455 14.348 -7.162 -6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 455 15.613 -7.760 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 455 12.925 -9.138 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 455 14.205 -9.474 -6.590 1.00 0.00 H new ATOM 619 N ASP A 456 14.674 -4.695 -4.528 1.00 0.00 N ATOM 620 CA ASP A 456 15.469 -3.507 -4.240 1.00 0.00 C ATOM 621 C ASP A 456 14.886 -2.735 -3.061 1.00 0.00 C ATOM 622 O ASP A 456 15.514 -2.621 -2.008 1.00 0.00 O ATOM 623 CB ASP A 456 15.540 -2.603 -5.472 1.00 0.00 C ATOM 624 CG ASP A 456 15.713 -1.142 -5.109 1.00 0.00 C ATOM 625 OD1 ASP A 456 16.558 -0.843 -4.239 1.00 0.00 O ATOM 626 OD2 ASP A 456 15.004 -0.296 -5.694 1.00 0.00 O ATOM 0 H ASP A 456 14.029 -4.591 -5.312 1.00 0.00 H new ATOM 0 HA ASP A 456 16.476 -3.830 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 456 16.371 -2.918 -6.103 1.00 0.00 H new ATOM 0 HB3 ASP A 456 14.630 -2.723 -6.060 1.00 0.00 H new ATOM 631 N LEU A 457 13.681 -2.207 -3.244 1.00 0.00 N ATOM 632 CA LEU A 457 13.012 -1.444 -2.196 1.00 0.00 C ATOM 633 C LEU A 457 13.057 -2.191 -0.866 1.00 0.00 C ATOM 634 O LEU A 457 12.319 -3.154 -0.657 1.00 0.00 O ATOM 635 CB LEU A 457 11.560 -1.165 -2.588 1.00 0.00 C ATOM 636 CG LEU A 457 11.350 -0.472 -3.935 1.00 0.00 C ATOM 637 CD1 LEU A 457 9.911 -0.635 -4.400 1.00 0.00 C ATOM 638 CD2 LEU A 457 11.719 1.001 -3.840 1.00 0.00 C ATOM 0 H LEU A 457 13.147 -2.293 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 457 13.538 -0.497 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 457 11.020 -2.112 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 457 11.107 -0.550 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 457 12.003 -0.942 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 457 9.780 -0.136 -5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.681 -1.695 -4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 457 9.239 -0.191 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 457 11.563 1.478 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 457 11.092 1.486 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 457 12.766 1.096 -3.553 1.00 0.00 H new ATOM 650 N LYS A 458 13.927 -1.739 0.031 1.00 0.00 N ATOM 651 CA LYS A 458 14.066 -2.362 1.342 1.00 0.00 C ATOM 652 C LYS A 458 13.068 -1.772 2.334 1.00 0.00 C ATOM 653 O LYS A 458 12.295 -2.499 2.957 1.00 0.00 O ATOM 654 CB LYS A 458 15.492 -2.178 1.867 1.00 0.00 C ATOM 655 CG LYS A 458 15.654 -2.551 3.331 1.00 0.00 C ATOM 656 CD LYS A 458 15.777 -4.054 3.513 1.00 0.00 C ATOM 657 CE LYS A 458 16.292 -4.407 4.900 1.00 0.00 C ATOM 658 NZ LYS A 458 17.762 -4.198 5.015 1.00 0.00 N ATOM 0 H LYS A 458 14.546 -0.944 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 458 13.858 -3.427 1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 458 16.172 -2.785 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.789 -1.138 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 458 16.539 -2.061 3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 458 14.798 -2.184 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 458 14.805 -4.522 3.355 1.00 0.00 H new ATOM 0 HD3 LYS A 458 16.452 -4.459 2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 458 15.779 -3.797 5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 458 16.055 -5.447 5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 18.085 -4.513 5.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 18.249 -4.746 4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 17.979 -3.188 4.896 1.00 0.00 H new ATOM 672 N ASP A 459 13.091 -0.451 2.473 1.00 0.00 N ATOM 673 CA ASP A 459 12.186 0.237 3.387 1.00 0.00 C ATOM 674 C ASP A 459 10.770 0.278 2.821 1.00 0.00 C ATOM 675 O ASP A 459 10.561 0.059 1.628 1.00 0.00 O ATOM 676 CB ASP A 459 12.682 1.658 3.656 1.00 0.00 C ATOM 677 CG ASP A 459 12.371 2.606 2.515 1.00 0.00 C ATOM 678 OD1 ASP A 459 12.791 2.319 1.374 1.00 0.00 O ATOM 679 OD2 ASP A 459 11.707 3.634 2.762 1.00 0.00 O ATOM 0 H ASP A 459 13.726 0.165 1.965 1.00 0.00 H new ATOM 0 HA ASP A 459 12.167 -0.317 4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.223 2.033 4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 459 13.759 1.638 3.825 1.00 0.00 H new ATOM 684 N MET A 460 9.800 0.558 3.686 1.00 0.00 N ATOM 685 CA MET A 460 8.404 0.628 3.272 1.00 0.00 C ATOM 686 C MET A 460 8.091 1.980 2.640 1.00 0.00 C ATOM 687 O MET A 460 8.927 2.884 2.638 1.00 0.00 O ATOM 688 CB MET A 460 7.482 0.385 4.468 1.00 0.00 C ATOM 689 CG MET A 460 7.585 1.456 5.542 1.00 0.00 C ATOM 690 SD MET A 460 6.536 1.113 6.968 1.00 0.00 S ATOM 691 CE MET A 460 7.477 -0.178 7.778 1.00 0.00 C ATOM 0 H MET A 460 9.956 0.740 4.678 1.00 0.00 H new ATOM 0 HA MET A 460 8.233 -0.149 2.527 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.451 0.332 4.117 1.00 0.00 H new ATOM 0 HB3 MET A 460 7.719 -0.584 4.908 1.00 0.00 H new ATOM 0 HG2 MET A 460 8.621 1.538 5.870 1.00 0.00 H new ATOM 0 HG3 MET A 460 7.308 2.420 5.116 1.00 0.00 H new ATOM 0 HE1 MET A 460 7.054 -0.373 8.764 1.00 0.00 H new ATOM 0 HE2 MET A 460 7.436 -1.088 7.180 1.00 0.00 H new ATOM 0 HE3 MET A 460 8.514 0.140 7.884 1.00 0.00 H new ATOM 701 N LEU A 461 6.882 2.112 2.105 1.00 0.00 N ATOM 702 CA LEU A 461 6.458 3.356 1.470 1.00 0.00 C ATOM 703 C LEU A 461 5.046 3.734 1.903 1.00 0.00 C ATOM 704 O LEU A 461 4.423 3.035 2.701 1.00 0.00 O ATOM 705 CB LEU A 461 6.518 3.219 -0.053 1.00 0.00 C ATOM 706 CG LEU A 461 7.916 3.102 -0.662 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.563 1.785 -0.263 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.850 3.230 -2.176 1.00 0.00 C ATOM 0 H LEU A 461 6.178 1.374 2.098 1.00 0.00 H new ATOM 0 HA LEU A 461 7.138 4.147 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.943 2.339 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 461 6.022 4.083 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 461 8.530 3.916 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.557 1.719 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.645 1.734 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.951 0.956 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.854 3.144 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.220 2.438 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.429 4.200 -2.441 1.00 0.00 H new ATOM 720 N GLU A 462 4.546 4.844 1.368 1.00 0.00 N ATOM 721 CA GLU A 462 3.206 5.314 1.699 1.00 0.00 C ATOM 722 C GLU A 462 2.502 5.865 0.462 1.00 0.00 C ATOM 723 O GLU A 462 2.980 6.808 -0.169 1.00 0.00 O ATOM 724 CB GLU A 462 3.272 6.391 2.784 1.00 0.00 C ATOM 725 CG GLU A 462 4.088 5.982 3.999 1.00 0.00 C ATOM 726 CD GLU A 462 5.581 6.127 3.775 1.00 0.00 C ATOM 727 OE1 GLU A 462 6.037 7.265 3.537 1.00 0.00 O ATOM 728 OE2 GLU A 462 6.293 5.103 3.837 1.00 0.00 O ATOM 0 H GLU A 462 5.048 5.434 0.704 1.00 0.00 H new ATOM 0 HA GLU A 462 2.634 4.466 2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.700 7.298 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.259 6.636 3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 462 3.792 6.591 4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 462 3.861 4.946 4.252 1.00 0.00 H new ATOM 735 N PHE A 463 1.363 5.270 0.122 1.00 0.00 N ATOM 736 CA PHE A 463 0.594 5.699 -1.039 1.00 0.00 C ATOM 737 C PHE A 463 -0.861 5.962 -0.661 1.00 0.00 C ATOM 738 O PHE A 463 -1.404 5.366 0.269 1.00 0.00 O ATOM 739 CB PHE A 463 0.662 4.641 -2.143 1.00 0.00 C ATOM 740 CG PHE A 463 1.943 3.856 -2.141 1.00 0.00 C ATOM 741 CD1 PHE A 463 3.134 4.448 -2.527 1.00 0.00 C ATOM 742 CD2 PHE A 463 1.954 2.526 -1.755 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.314 3.729 -2.527 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.131 1.801 -1.752 1.00 0.00 C ATOM 745 CZ PHE A 463 4.313 2.403 -2.140 1.00 0.00 C ATOM 0 H PHE A 463 0.953 4.489 0.635 1.00 0.00 H new ATOM 0 HA PHE A 463 1.029 6.628 -1.408 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.176 3.954 -2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.545 5.129 -3.111 1.00 0.00 H new ATOM 0 HD1 PHE A 463 3.141 5.484 -2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.033 2.050 -1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 463 5.236 4.203 -2.829 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.127 0.765 -1.447 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.234 1.838 -2.141 1.00 0.00 H new ATOM 755 N PRO A 464 -1.508 6.877 -1.398 1.00 0.00 N ATOM 756 CA PRO A 464 -2.908 7.241 -1.160 1.00 0.00 C ATOM 757 C PRO A 464 -3.870 6.118 -1.532 1.00 0.00 C ATOM 758 O PRO A 464 -3.497 5.174 -2.228 1.00 0.00 O ATOM 759 CB PRO A 464 -3.120 8.451 -2.072 1.00 0.00 C ATOM 760 CG PRO A 464 -2.113 8.289 -3.158 1.00 0.00 C ATOM 761 CD PRO A 464 -0.922 7.627 -2.522 1.00 0.00 C ATOM 0 HA PRO A 464 -3.103 7.445 -0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.134 8.472 -2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -2.971 9.385 -1.531 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.510 7.681 -3.971 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -1.841 9.254 -3.585 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.408 6.967 -3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.191 8.359 -2.179 1.00 0.00 H new ATOM 769 N ALA A 465 -5.109 6.227 -1.064 1.00 0.00 N ATOM 770 CA ALA A 465 -6.125 5.222 -1.350 1.00 0.00 C ATOM 771 C ALA A 465 -6.287 5.018 -2.852 1.00 0.00 C ATOM 772 O ALA A 465 -6.536 3.904 -3.313 1.00 0.00 O ATOM 773 CB ALA A 465 -7.453 5.620 -0.723 1.00 0.00 C ATOM 0 H ALA A 465 -5.433 7.002 -0.485 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.799 4.277 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.202 4.860 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -7.334 5.708 0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.776 6.578 -1.131 1.00 0.00 H new ATOM 779 N GLN A 466 -6.147 6.100 -3.611 1.00 0.00 N ATOM 780 CA GLN A 466 -6.279 6.039 -5.061 1.00 0.00 C ATOM 781 C GLN A 466 -5.178 5.179 -5.673 1.00 0.00 C ATOM 782 O GLN A 466 -5.433 4.369 -6.564 1.00 0.00 O ATOM 783 CB GLN A 466 -6.235 7.446 -5.659 1.00 0.00 C ATOM 784 CG GLN A 466 -4.931 8.180 -5.391 1.00 0.00 C ATOM 785 CD GLN A 466 -4.854 9.514 -6.107 1.00 0.00 C ATOM 786 OE1 GLN A 466 -4.423 9.589 -7.258 1.00 0.00 O ATOM 787 NE2 GLN A 466 -5.272 10.576 -5.428 1.00 0.00 N ATOM 0 H GLN A 466 -5.942 7.030 -3.245 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.242 5.584 -5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -6.390 7.379 -6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -7.061 8.030 -5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -4.823 8.341 -4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -4.095 7.555 -5.705 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -5.622 10.467 -4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -5.243 11.500 -5.859 1.00 0.00 H new ATOM 796 N GLU A 467 -3.954 5.361 -5.189 1.00 0.00 N ATOM 797 CA GLU A 467 -2.814 4.602 -5.689 1.00 0.00 C ATOM 798 C GLU A 467 -2.720 3.244 -5.001 1.00 0.00 C ATOM 799 O GLU A 467 -1.655 2.625 -4.965 1.00 0.00 O ATOM 800 CB GLU A 467 -1.517 5.386 -5.475 1.00 0.00 C ATOM 801 CG GLU A 467 -1.152 6.289 -6.640 1.00 0.00 C ATOM 802 CD GLU A 467 -2.346 7.048 -7.187 1.00 0.00 C ATOM 803 OE1 GLU A 467 -3.263 6.400 -7.732 1.00 0.00 O ATOM 804 OE2 GLU A 467 -2.363 8.291 -7.068 1.00 0.00 O ATOM 0 H GLU A 467 -3.726 6.027 -4.451 1.00 0.00 H new ATOM 0 HA GLU A 467 -2.959 4.439 -6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.613 5.991 -4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -0.702 4.683 -5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -0.390 7.000 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -0.712 5.688 -7.436 1.00 0.00 H new ATOM 811 N LEU A 468 -3.841 2.785 -4.455 1.00 0.00 N ATOM 812 CA LEU A 468 -3.887 1.500 -3.767 1.00 0.00 C ATOM 813 C LEU A 468 -5.228 0.809 -3.991 1.00 0.00 C ATOM 814 O LEU A 468 -6.286 1.397 -3.763 1.00 0.00 O ATOM 815 CB LEU A 468 -3.644 1.692 -2.269 1.00 0.00 C ATOM 816 CG LEU A 468 -2.183 1.823 -1.837 1.00 0.00 C ATOM 817 CD1 LEU A 468 -2.075 1.853 -0.320 1.00 0.00 C ATOM 818 CD2 LEU A 468 -1.354 0.682 -2.410 1.00 0.00 C ATOM 0 H LEU A 468 -4.730 3.284 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.100 0.868 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -4.179 2.585 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -4.084 0.848 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.791 2.763 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -1.028 1.947 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.636 2.703 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -2.484 0.930 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -0.317 0.791 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.746 -0.269 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.405 0.706 -3.499 1.00 0.00 H new ATOM 830 N ARG A 469 -5.176 -0.442 -4.437 1.00 0.00 N ATOM 831 CA ARG A 469 -6.387 -1.213 -4.691 1.00 0.00 C ATOM 832 C ARG A 469 -6.221 -2.656 -4.225 1.00 0.00 C ATOM 833 O ARG A 469 -5.168 -3.265 -4.418 1.00 0.00 O ATOM 834 CB ARG A 469 -6.733 -1.183 -6.181 1.00 0.00 C ATOM 835 CG ARG A 469 -7.363 0.123 -6.635 1.00 0.00 C ATOM 836 CD ARG A 469 -6.307 1.136 -7.049 1.00 0.00 C ATOM 837 NE ARG A 469 -6.839 2.135 -7.972 1.00 0.00 N ATOM 838 CZ ARG A 469 -7.696 3.085 -7.613 1.00 0.00 C ATOM 839 NH1 ARG A 469 -8.114 3.165 -6.358 1.00 0.00 N ATOM 840 NH2 ARG A 469 -8.135 3.958 -8.511 1.00 0.00 N ATOM 0 H ARG A 469 -4.309 -0.943 -4.630 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.202 -0.759 -4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -5.826 -1.359 -6.759 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -7.417 -2.002 -6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -8.034 -0.067 -7.472 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -7.969 0.536 -5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -5.915 1.634 -6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -5.471 0.617 -7.519 1.00 0.00 H new ATOM 0 HE ARG A 469 -6.536 2.102 -8.945 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -7.778 2.496 -5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -8.772 3.895 -6.085 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -7.815 3.900 -9.478 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -8.793 4.687 -8.235 1.00 0.00 H new ATOM 854 N LYS A 470 -7.266 -3.198 -3.610 1.00 0.00 N ATOM 855 CA LYS A 470 -7.237 -4.570 -3.117 1.00 0.00 C ATOM 856 C LYS A 470 -7.568 -5.557 -4.232 1.00 0.00 C ATOM 857 O LYS A 470 -8.563 -5.398 -4.939 1.00 0.00 O ATOM 858 CB LYS A 470 -8.227 -4.739 -1.962 1.00 0.00 C ATOM 859 CG LYS A 470 -8.281 -6.153 -1.409 1.00 0.00 C ATOM 860 CD LYS A 470 -9.350 -6.293 -0.338 1.00 0.00 C ATOM 861 CE LYS A 470 -10.748 -6.198 -0.929 1.00 0.00 C ATOM 862 NZ LYS A 470 -11.739 -6.977 -0.137 1.00 0.00 N ATOM 0 H LYS A 470 -8.144 -2.708 -3.441 1.00 0.00 H new ATOM 0 HA LYS A 470 -6.229 -4.779 -2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -7.956 -4.054 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 470 -9.222 -4.453 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 470 -8.482 -6.854 -2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 470 -7.310 -6.419 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -9.233 -7.250 0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 470 -9.218 -5.514 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 470 -11.055 -5.153 -0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 470 -10.734 -6.565 -1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -12.679 -6.887 -0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -11.460 -7.979 -0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -11.771 -6.610 0.836 1.00 0.00 H new ATOM 876 N TYR A 471 -6.729 -6.575 -4.383 1.00 0.00 N ATOM 877 CA TYR A 471 -6.932 -7.587 -5.413 1.00 0.00 C ATOM 878 C TYR A 471 -7.403 -8.902 -4.799 1.00 0.00 C ATOM 879 O TYR A 471 -7.023 -9.248 -3.682 1.00 0.00 O ATOM 880 CB TYR A 471 -5.638 -7.812 -6.198 1.00 0.00 C ATOM 881 CG TYR A 471 -4.544 -8.470 -5.388 1.00 0.00 C ATOM 882 CD1 TYR A 471 -4.664 -9.787 -4.963 1.00 0.00 C ATOM 883 CD2 TYR A 471 -3.392 -7.773 -5.046 1.00 0.00 C ATOM 884 CE1 TYR A 471 -3.668 -10.392 -4.222 1.00 0.00 C ATOM 885 CE2 TYR A 471 -2.390 -8.371 -4.306 1.00 0.00 C ATOM 886 CZ TYR A 471 -2.532 -9.680 -3.896 1.00 0.00 C ATOM 887 OH TYR A 471 -1.537 -10.278 -3.158 1.00 0.00 O ATOM 0 H TYR A 471 -5.901 -6.722 -3.805 1.00 0.00 H new ATOM 0 HA TYR A 471 -7.704 -7.227 -6.093 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -5.855 -8.430 -7.070 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -5.277 -6.853 -6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 471 -5.552 -10.348 -5.216 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -3.278 -6.747 -5.364 1.00 0.00 H new ATOM 0 HE1 TYR A 471 -3.778 -11.417 -3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 471 -1.500 -7.816 -4.050 1.00 0.00 H new ATOM 0 HH TYR A 471 -0.807 -9.640 -3.016 1.00 0.00 H new TER 897 TYR A 471