USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 290 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 439 LYS NZ :NH3+ 170:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 445 THR OG1 : rot 111:sc= 0.987 USER MOD Set 2.1: A 436 THR OG1 : rot -150:sc= 0.944 USER MOD Set 2.2: A 450 ASN : amide:sc= 1.11 X(o=2.1,f=1.6) USER MOD Single : A 430 THR OG1 : rot -113:sc= 0.217 USER MOD Single : A 433 SER OG : rot -79:sc= 0.18 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot 115:sc= 0.785 USER MOD Single : A 444 LYS NZ :NH3+ -116:sc= 1.12 (180deg=-0.54) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc= -0.0596 USER MOD Single : A 449 ASN : amide:sc= -0.0137 K(o=-0.014,f=-11!) USER MOD Single : A 452 THR OG1 : rot -166:sc= -2.39! USER MOD Single : A 455 SER OG : rot 42:sc= 0.252 USER MOD Single : A 456 TYR OH : rot 180:sc= 0 USER MOD Single : A 459 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0393) USER MOD Single : A 461 GLN : amide:sc= -1.54! X(o=-1.5!,f=-1.2) USER MOD Single : A 464 LYS NZ :NH3+ -165:sc= -0.0322 (180deg=-0.252) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -3.149 12.053 -2.268 1.00 15.00 N ATOM 2 CA GLY A 428 -1.966 11.274 -2.704 1.00 15.00 C ATOM 3 C GLY A 428 -1.386 11.804 -3.997 1.00 15.00 C ATOM 4 O GLY A 428 -1.682 11.291 -5.076 1.00 15.00 O ATOM 0 HA2 GLY A 428 -1.204 11.305 -1.925 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -2.247 10.229 -2.834 1.00 15.00 H new ATOM 10 N ALA A 429 -0.565 12.838 -3.892 1.00 15.00 N ATOM 11 CA ALA A 429 0.054 13.444 -5.061 1.00 15.00 C ATOM 12 C ALA A 429 1.566 13.254 -5.028 1.00 15.00 C ATOM 13 O ALA A 429 2.183 12.911 -6.037 1.00 15.00 O ATOM 14 CB ALA A 429 -0.295 14.925 -5.136 1.00 15.00 C ATOM 0 H ALA A 429 -0.311 13.276 -3.006 1.00 15.00 H new ATOM 0 HA ALA A 429 -0.333 12.949 -5.952 1.00 15.00 H new ATOM 0 HB1 ALA A 429 0.175 15.365 -6.015 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -1.377 15.041 -5.206 1.00 15.00 H new ATOM 0 HB3 ALA A 429 0.067 15.430 -4.240 1.00 15.00 H new ATOM 20 N THR A 430 2.151 13.459 -3.857 1.00 15.00 N ATOM 21 CA THR A 430 3.590 13.352 -3.688 1.00 15.00 C ATOM 22 C THR A 430 3.913 12.948 -2.244 1.00 15.00 C ATOM 23 O THR A 430 3.007 12.560 -1.501 1.00 15.00 O ATOM 24 CB THR A 430 4.283 14.688 -4.059 1.00 15.00 C ATOM 25 OG1 THR A 430 5.709 14.549 -4.036 1.00 15.00 O ATOM 26 CG2 THR A 430 3.865 15.808 -3.116 1.00 15.00 C ATOM 0 H THR A 430 1.646 13.702 -3.005 1.00 15.00 H new ATOM 0 HA THR A 430 3.971 12.582 -4.359 1.00 15.00 H new ATOM 0 HB THR A 430 3.967 14.946 -5.070 1.00 15.00 H new ATOM 0 HG1 THR A 430 6.079 15.089 -3.306 1.00 15.00 H new ATOM 0 HG21 THR A 430 4.368 16.732 -3.402 1.00 15.00 H new ATOM 0 HG22 THR A 430 2.786 15.949 -3.175 1.00 15.00 H new ATOM 0 HG23 THR A 430 4.142 15.546 -2.095 1.00 15.00 H new ATOM 34 N ALA A 431 5.200 13.013 -1.877 1.00 15.00 N ATOM 35 CA ALA A 431 5.687 12.673 -0.530 1.00 15.00 C ATOM 36 C ALA A 431 5.732 11.160 -0.305 1.00 15.00 C ATOM 37 O ALA A 431 6.647 10.654 0.348 1.00 15.00 O ATOM 38 CB ALA A 431 4.864 13.359 0.557 1.00 15.00 C ATOM 0 H ALA A 431 5.942 13.306 -2.513 1.00 15.00 H new ATOM 0 HA ALA A 431 6.708 13.048 -0.462 1.00 15.00 H new ATOM 0 HB1 ALA A 431 5.254 13.084 1.537 1.00 15.00 H new ATOM 0 HB2 ALA A 431 4.926 14.440 0.433 1.00 15.00 H new ATOM 0 HB3 ALA A 431 3.823 13.044 0.479 1.00 15.00 H new ATOM 44 N VAL A 432 4.748 10.451 -0.848 1.00 15.00 N ATOM 45 CA VAL A 432 4.698 8.996 -0.764 1.00 15.00 C ATOM 46 C VAL A 432 5.982 8.384 -1.321 1.00 15.00 C ATOM 47 O VAL A 432 6.338 8.610 -2.478 1.00 15.00 O ATOM 48 CB VAL A 432 3.486 8.434 -1.542 1.00 15.00 C ATOM 49 CG1 VAL A 432 3.441 6.916 -1.458 1.00 15.00 C ATOM 50 CG2 VAL A 432 2.189 9.038 -1.024 1.00 15.00 C ATOM 0 H VAL A 432 3.967 10.866 -1.356 1.00 15.00 H new ATOM 0 HA VAL A 432 4.595 8.730 0.288 1.00 15.00 H new ATOM 0 HB VAL A 432 3.600 8.711 -2.590 1.00 15.00 H new ATOM 0 HG11 VAL A 432 2.579 6.546 -2.013 1.00 15.00 H new ATOM 0 HG12 VAL A 432 4.354 6.501 -1.886 1.00 15.00 H new ATOM 0 HG13 VAL A 432 3.358 6.612 -0.415 1.00 15.00 H new ATOM 0 HG21 VAL A 432 1.348 8.630 -1.585 1.00 15.00 H new ATOM 0 HG22 VAL A 432 2.072 8.797 0.033 1.00 15.00 H new ATOM 0 HG23 VAL A 432 2.217 10.121 -1.149 1.00 15.00 H new ATOM 60 N SER A 433 6.682 7.630 -0.489 1.00 15.00 N ATOM 61 CA SER A 433 7.950 7.037 -0.887 1.00 15.00 C ATOM 62 C SER A 433 8.122 5.639 -0.298 1.00 15.00 C ATOM 63 O SER A 433 9.061 4.915 -0.641 1.00 15.00 O ATOM 64 CB SER A 433 9.096 7.952 -0.449 1.00 15.00 C ATOM 65 OG SER A 433 8.852 8.477 0.849 1.00 15.00 O ATOM 0 H SER A 433 6.395 7.414 0.466 1.00 15.00 H new ATOM 0 HA SER A 433 7.961 6.934 -1.972 1.00 15.00 H new ATOM 0 HB2 SER A 433 10.033 7.396 -0.451 1.00 15.00 H new ATOM 0 HB3 SER A 433 9.208 8.769 -1.162 1.00 15.00 H new ATOM 0 HG SER A 433 8.215 9.219 0.787 1.00 15.00 H new ATOM 71 N GLU A 434 7.223 5.269 0.599 1.00 15.00 N ATOM 72 CA GLU A 434 7.285 3.976 1.260 1.00 15.00 C ATOM 73 C GLU A 434 6.232 2.999 0.737 1.00 15.00 C ATOM 74 O GLU A 434 6.308 1.801 1.013 1.00 15.00 O ATOM 75 CB GLU A 434 7.135 4.139 2.779 1.00 15.00 C ATOM 76 CG GLU A 434 5.890 4.905 3.221 1.00 15.00 C ATOM 77 CD GLU A 434 5.985 6.402 2.967 1.00 15.00 C ATOM 78 OE1 GLU A 434 5.597 6.849 1.867 1.00 15.00 O ATOM 79 OE2 GLU A 434 6.461 7.126 3.864 1.00 15.00 O ATOM 0 H GLU A 434 6.436 5.851 0.888 1.00 15.00 H new ATOM 0 HA GLU A 434 8.264 3.555 1.033 1.00 15.00 H new ATOM 0 HB2 GLU A 434 7.117 3.150 3.236 1.00 15.00 H new ATOM 0 HB3 GLU A 434 8.016 4.652 3.164 1.00 15.00 H new ATOM 0 HG2 GLU A 434 5.022 4.508 2.695 1.00 15.00 H new ATOM 0 HG3 GLU A 434 5.724 4.733 4.285 1.00 15.00 H new ATOM 86 N TRP A 435 5.264 3.499 -0.021 1.00 15.00 N ATOM 87 CA TRP A 435 4.148 2.673 -0.469 1.00 15.00 C ATOM 88 C TRP A 435 4.327 2.240 -1.919 1.00 15.00 C ATOM 89 O TRP A 435 4.382 3.073 -2.823 1.00 15.00 O ATOM 90 CB TRP A 435 2.829 3.435 -0.321 1.00 15.00 C ATOM 91 CG TRP A 435 2.555 3.895 1.079 1.00 15.00 C ATOM 92 CD1 TRP A 435 2.735 5.152 1.579 1.00 15.00 C ATOM 93 CD2 TRP A 435 2.053 3.103 2.161 1.00 15.00 C ATOM 94 NE1 TRP A 435 2.382 5.189 2.904 1.00 15.00 N ATOM 95 CE2 TRP A 435 1.958 3.944 3.285 1.00 15.00 C ATOM 96 CE3 TRP A 435 1.678 1.766 2.287 1.00 15.00 C ATOM 97 CZ2 TRP A 435 1.504 3.489 4.520 1.00 15.00 C ATOM 98 CZ3 TRP A 435 1.224 1.316 3.510 1.00 15.00 C ATOM 99 CH2 TRP A 435 1.141 2.175 4.613 1.00 15.00 C ATOM 0 H TRP A 435 5.228 4.468 -0.338 1.00 15.00 H new ATOM 0 HA TRP A 435 4.124 1.781 0.157 1.00 15.00 H new ATOM 0 HB2 TRP A 435 2.843 4.301 -0.983 1.00 15.00 H new ATOM 0 HB3 TRP A 435 2.011 2.795 -0.651 1.00 15.00 H new ATOM 0 HD1 TRP A 435 3.102 5.996 1.013 1.00 15.00 H new ATOM 0 HE1 TRP A 435 2.428 6.010 3.507 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.742 1.095 1.443 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.441 4.150 5.372 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.927 0.283 3.618 1.00 15.00 H new ATOM 0 HH2 TRP A 435 0.783 1.791 5.557 1.00 15.00 H new ATOM 110 N THR A 436 4.424 0.937 -2.130 1.00 15.00 N ATOM 111 CA THR A 436 4.491 0.383 -3.470 1.00 15.00 C ATOM 112 C THR A 436 3.186 -0.339 -3.801 1.00 15.00 C ATOM 113 O THR A 436 2.702 -1.150 -3.011 1.00 15.00 O ATOM 114 CB THR A 436 5.670 -0.603 -3.606 1.00 15.00 C ATOM 115 OG1 THR A 436 6.875 0.002 -3.117 1.00 15.00 O ATOM 116 CG2 THR A 436 5.867 -1.020 -5.056 1.00 15.00 C ATOM 0 H THR A 436 4.458 0.241 -1.385 1.00 15.00 H new ATOM 0 HA THR A 436 4.645 1.206 -4.167 1.00 15.00 H new ATOM 0 HB THR A 436 5.438 -1.490 -3.016 1.00 15.00 H new ATOM 0 HG1 THR A 436 7.645 -0.364 -3.601 1.00 15.00 H new ATOM 0 HG21 THR A 436 6.704 -1.715 -5.124 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.962 -1.505 -5.421 1.00 15.00 H new ATOM 0 HG23 THR A 436 6.077 -0.139 -5.663 1.00 15.00 H new ATOM 124 N GLU A 437 2.615 -0.043 -4.960 1.00 15.00 N ATOM 125 CA GLU A 437 1.350 -0.646 -5.354 1.00 15.00 C ATOM 126 C GLU A 437 1.585 -1.946 -6.115 1.00 15.00 C ATOM 127 O GLU A 437 2.439 -2.017 -7.004 1.00 15.00 O ATOM 128 CB GLU A 437 0.534 0.320 -6.220 1.00 15.00 C ATOM 129 CG GLU A 437 1.183 0.651 -7.557 1.00 15.00 C ATOM 130 CD GLU A 437 0.232 1.336 -8.514 1.00 15.00 C ATOM 131 OE1 GLU A 437 -0.790 0.722 -8.887 1.00 15.00 O ATOM 132 OE2 GLU A 437 0.508 2.485 -8.914 1.00 15.00 O ATOM 0 H GLU A 437 3.006 0.608 -5.641 1.00 15.00 H new ATOM 0 HA GLU A 437 0.788 -0.866 -4.446 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -0.449 -0.114 -6.402 1.00 15.00 H new ATOM 0 HB3 GLU A 437 0.377 1.245 -5.665 1.00 15.00 H new ATOM 0 HG2 GLU A 437 2.047 1.294 -7.388 1.00 15.00 H new ATOM 0 HG3 GLU A 437 1.553 -0.267 -8.014 1.00 15.00 H new ATOM 139 N TYR A 438 0.838 -2.977 -5.760 1.00 15.00 N ATOM 140 CA TYR A 438 0.872 -4.223 -6.502 1.00 15.00 C ATOM 141 C TYR A 438 -0.525 -4.613 -6.960 1.00 15.00 C ATOM 142 O TYR A 438 -1.393 -4.940 -6.151 1.00 15.00 O ATOM 143 CB TYR A 438 1.505 -5.343 -5.675 1.00 15.00 C ATOM 144 CG TYR A 438 3.015 -5.271 -5.632 1.00 15.00 C ATOM 145 CD1 TYR A 438 3.776 -5.818 -6.657 1.00 15.00 C ATOM 146 CD2 TYR A 438 3.679 -4.653 -4.580 1.00 15.00 C ATOM 147 CE1 TYR A 438 5.153 -5.751 -6.638 1.00 15.00 C ATOM 148 CE2 TYR A 438 5.059 -4.584 -4.552 1.00 15.00 C ATOM 149 CZ TYR A 438 5.791 -5.134 -5.585 1.00 15.00 C ATOM 150 OH TYR A 438 7.166 -5.060 -5.570 1.00 15.00 O ATOM 0 H TYR A 438 0.201 -2.975 -4.963 1.00 15.00 H new ATOM 0 HA TYR A 438 1.493 -4.070 -7.385 1.00 15.00 H new ATOM 0 HB2 TYR A 438 1.116 -5.299 -4.658 1.00 15.00 H new ATOM 0 HB3 TYR A 438 1.205 -6.306 -6.089 1.00 15.00 H new ATOM 0 HD1 TYR A 438 3.280 -6.305 -7.484 1.00 15.00 H new ATOM 0 HD2 TYR A 438 3.108 -4.220 -3.772 1.00 15.00 H new ATOM 0 HE1 TYR A 438 5.728 -6.180 -7.445 1.00 15.00 H new ATOM 0 HE2 TYR A 438 5.562 -4.102 -3.726 1.00 15.00 H new ATOM 0 HH TYR A 438 7.460 -4.593 -4.760 1.00 15.00 H new ATOM 160 N LYS A 439 -0.735 -4.535 -8.264 1.00 15.00 N ATOM 161 CA LYS A 439 -2.006 -4.896 -8.869 1.00 15.00 C ATOM 162 C LYS A 439 -1.951 -6.339 -9.346 1.00 15.00 C ATOM 163 O LYS A 439 -1.118 -6.692 -10.182 1.00 15.00 O ATOM 164 CB LYS A 439 -2.295 -3.967 -10.053 1.00 15.00 C ATOM 165 CG LYS A 439 -3.635 -4.211 -10.735 1.00 15.00 C ATOM 166 CD LYS A 439 -4.791 -3.596 -9.960 1.00 15.00 C ATOM 167 CE LYS A 439 -4.639 -2.086 -9.846 1.00 15.00 C ATOM 168 NZ LYS A 439 -5.821 -1.448 -9.207 1.00 15.00 N ATOM 0 H LYS A 439 -0.031 -4.220 -8.931 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.801 -4.792 -8.131 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -2.261 -2.935 -9.705 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -1.500 -4.081 -10.790 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -3.611 -3.793 -11.741 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.799 -5.284 -10.839 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.732 -3.832 -10.457 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.838 -4.035 -8.964 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -3.746 -1.855 -9.265 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -4.492 -1.662 -10.839 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -5.607 -0.452 -8.996 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -6.634 -1.498 -9.853 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -6.050 -1.947 -8.324 1.00 15.00 H new ATOM 182 N THR A 440 -2.816 -7.175 -8.807 1.00 15.00 N ATOM 183 CA THR A 440 -2.872 -8.565 -9.211 1.00 15.00 C ATOM 184 C THR A 440 -3.845 -8.739 -10.372 1.00 15.00 C ATOM 185 O THR A 440 -4.803 -7.975 -10.507 1.00 15.00 O ATOM 186 CB THR A 440 -3.283 -9.483 -8.047 1.00 15.00 C ATOM 187 OG1 THR A 440 -4.605 -9.158 -7.610 1.00 15.00 O ATOM 188 CG2 THR A 440 -2.312 -9.353 -6.882 1.00 15.00 C ATOM 0 H THR A 440 -3.490 -6.915 -8.087 1.00 15.00 H new ATOM 0 HA THR A 440 -1.870 -8.853 -9.528 1.00 15.00 H new ATOM 0 HB THR A 440 -3.261 -10.513 -8.403 1.00 15.00 H new ATOM 0 HG1 THR A 440 -5.203 -9.914 -7.787 1.00 15.00 H new ATOM 0 HG21 THR A 440 -2.625 -10.012 -6.072 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.311 -9.632 -7.210 1.00 15.00 H new ATOM 0 HG23 THR A 440 -2.304 -8.322 -6.528 1.00 15.00 H new ATOM 196 N ALA A 441 -3.575 -9.725 -11.220 1.00 15.00 N ATOM 197 CA ALA A 441 -4.402 -10.001 -12.395 1.00 15.00 C ATOM 198 C ALA A 441 -5.883 -10.177 -12.042 1.00 15.00 C ATOM 199 O ALA A 441 -6.757 -9.872 -12.853 1.00 15.00 O ATOM 200 CB ALA A 441 -3.884 -11.236 -13.116 1.00 15.00 C ATOM 0 H ALA A 441 -2.780 -10.355 -11.115 1.00 15.00 H new ATOM 0 HA ALA A 441 -4.331 -9.134 -13.052 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -4.505 -11.435 -13.989 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -2.855 -11.067 -13.433 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -3.920 -12.092 -12.443 1.00 15.00 H new ATOM 206 N ASP A 442 -6.167 -10.666 -10.839 1.00 15.00 N ATOM 207 CA ASP A 442 -7.548 -10.907 -10.416 1.00 15.00 C ATOM 208 C ASP A 442 -8.191 -9.630 -9.873 1.00 15.00 C ATOM 209 O ASP A 442 -9.348 -9.633 -9.457 1.00 15.00 O ATOM 210 CB ASP A 442 -7.613 -12.020 -9.367 1.00 15.00 C ATOM 211 CG ASP A 442 -6.948 -11.641 -8.062 1.00 15.00 C ATOM 212 OD1 ASP A 442 -5.715 -11.445 -8.056 1.00 15.00 O ATOM 213 OD2 ASP A 442 -7.645 -11.559 -7.031 1.00 15.00 O ATOM 0 H ASP A 442 -5.464 -10.904 -10.139 1.00 15.00 H new ATOM 0 HA ASP A 442 -8.109 -11.226 -11.294 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -8.656 -12.272 -9.177 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -7.136 -12.915 -9.765 1.00 15.00 H new ATOM 218 N GLY A 443 -7.439 -8.535 -9.900 1.00 15.00 N ATOM 219 CA GLY A 443 -7.989 -7.242 -9.545 1.00 15.00 C ATOM 220 C GLY A 443 -7.875 -6.902 -8.070 1.00 15.00 C ATOM 221 O GLY A 443 -8.711 -6.176 -7.535 1.00 15.00 O ATOM 0 H GLY A 443 -6.454 -8.521 -10.163 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -7.480 -6.472 -10.124 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -9.040 -7.215 -9.833 1.00 15.00 H new ATOM 225 N LYS A 444 -6.842 -7.410 -7.411 1.00 15.00 N ATOM 226 CA LYS A 444 -6.564 -7.034 -6.031 1.00 15.00 C ATOM 227 C LYS A 444 -5.370 -6.098 -5.987 1.00 15.00 C ATOM 228 O LYS A 444 -4.348 -6.350 -6.623 1.00 15.00 O ATOM 229 CB LYS A 444 -6.295 -8.264 -5.159 1.00 15.00 C ATOM 230 CG LYS A 444 -7.519 -9.131 -4.921 1.00 15.00 C ATOM 231 CD LYS A 444 -7.249 -10.195 -3.867 1.00 15.00 C ATOM 232 CE LYS A 444 -8.490 -11.029 -3.591 1.00 15.00 C ATOM 233 NZ LYS A 444 -8.844 -11.906 -4.739 1.00 15.00 N ATOM 0 H LYS A 444 -6.185 -8.081 -7.808 1.00 15.00 H new ATOM 0 HA LYS A 444 -7.443 -6.527 -5.633 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -5.520 -8.869 -5.630 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -5.902 -7.936 -4.197 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -8.354 -8.506 -4.604 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -7.816 -9.609 -5.855 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -6.440 -10.844 -4.202 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -6.916 -9.719 -2.945 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -8.324 -11.642 -2.705 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -9.328 -10.368 -3.369 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -9.768 -11.621 -5.121 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -8.120 -11.816 -5.480 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -8.891 -12.894 -4.419 1.00 15.00 H new ATOM 247 N THR A 445 -5.493 -5.021 -5.236 1.00 15.00 N ATOM 248 CA THR A 445 -4.426 -4.044 -5.145 1.00 15.00 C ATOM 249 C THR A 445 -3.971 -3.874 -3.703 1.00 15.00 C ATOM 250 O THR A 445 -4.583 -3.129 -2.933 1.00 15.00 O ATOM 251 CB THR A 445 -4.875 -2.680 -5.699 1.00 15.00 C ATOM 252 OG1 THR A 445 -5.641 -2.873 -6.894 1.00 15.00 O ATOM 253 CG2 THR A 445 -3.672 -1.796 -6.002 1.00 15.00 C ATOM 0 H THR A 445 -6.320 -4.801 -4.681 1.00 15.00 H new ATOM 0 HA THR A 445 -3.594 -4.414 -5.744 1.00 15.00 H new ATOM 0 HB THR A 445 -5.488 -2.186 -4.945 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.577 -2.638 -6.724 1.00 15.00 H new ATOM 0 HG21 THR A 445 -4.014 -0.837 -6.392 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.101 -1.633 -5.088 1.00 15.00 H new ATOM 0 HG23 THR A 445 -3.039 -2.284 -6.743 1.00 15.00 H new ATOM 261 N TYR A 446 -2.916 -4.585 -3.335 1.00 15.00 N ATOM 262 CA TYR A 446 -2.356 -4.456 -2.002 1.00 15.00 C ATOM 263 C TYR A 446 -1.149 -3.531 -2.046 1.00 15.00 C ATOM 264 O TYR A 446 -0.334 -3.591 -2.971 1.00 15.00 O ATOM 265 CB TYR A 446 -1.993 -5.828 -1.408 1.00 15.00 C ATOM 266 CG TYR A 446 -0.821 -6.534 -2.061 1.00 15.00 C ATOM 267 CD1 TYR A 446 -0.988 -7.291 -3.214 1.00 15.00 C ATOM 268 CD2 TYR A 446 0.451 -6.458 -1.504 1.00 15.00 C ATOM 269 CE1 TYR A 446 0.080 -7.950 -3.794 1.00 15.00 C ATOM 270 CE2 TYR A 446 1.522 -7.110 -2.080 1.00 15.00 C ATOM 271 CZ TYR A 446 1.333 -7.856 -3.223 1.00 15.00 C ATOM 272 OH TYR A 446 2.400 -8.510 -3.794 1.00 15.00 O ATOM 0 H TYR A 446 -2.434 -5.253 -3.937 1.00 15.00 H new ATOM 0 HA TYR A 446 -3.109 -4.020 -1.345 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -1.772 -5.698 -0.349 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -2.867 -6.476 -1.474 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -1.967 -7.366 -3.664 1.00 15.00 H new ATOM 0 HD2 TYR A 446 0.603 -5.879 -0.605 1.00 15.00 H new ATOM 0 HE1 TYR A 446 -0.065 -8.536 -4.690 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.504 -7.036 -1.637 1.00 15.00 H new ATOM 0 HH TYR A 446 3.209 -8.338 -3.268 1.00 15.00 H new ATOM 282 N TYR A 447 -1.044 -2.674 -1.051 1.00 15.00 N ATOM 283 CA TYR A 447 0.016 -1.690 -1.003 1.00 15.00 C ATOM 284 C TYR A 447 1.081 -2.124 -0.016 1.00 15.00 C ATOM 285 O TYR A 447 0.821 -2.264 1.179 1.00 15.00 O ATOM 286 CB TYR A 447 -0.556 -0.321 -0.634 1.00 15.00 C ATOM 287 CG TYR A 447 -1.682 0.102 -1.550 1.00 15.00 C ATOM 288 CD1 TYR A 447 -1.422 0.758 -2.747 1.00 15.00 C ATOM 289 CD2 TYR A 447 -3.003 -0.178 -1.230 1.00 15.00 C ATOM 290 CE1 TYR A 447 -2.451 1.123 -3.597 1.00 15.00 C ATOM 291 CE2 TYR A 447 -4.033 0.185 -2.070 1.00 15.00 C ATOM 292 CZ TYR A 447 -3.754 0.834 -3.252 1.00 15.00 C ATOM 293 OH TYR A 447 -4.783 1.187 -4.097 1.00 15.00 O ATOM 0 H TYR A 447 -1.686 -2.640 -0.259 1.00 15.00 H new ATOM 0 HA TYR A 447 0.478 -1.609 -1.987 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -0.918 -0.347 0.394 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.239 0.424 -0.673 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -0.402 0.986 -3.018 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -3.228 -0.690 -0.306 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -2.235 1.631 -4.525 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -5.055 -0.039 -1.802 1.00 15.00 H new ATOM 0 HH TYR A 447 -5.638 0.910 -3.705 1.00 15.00 H new ATOM 303 N TYR A 448 2.270 -2.361 -0.527 1.00 15.00 N ATOM 304 CA TYR A 448 3.363 -2.848 0.288 1.00 15.00 C ATOM 305 C TYR A 448 4.207 -1.686 0.795 1.00 15.00 C ATOM 306 O TYR A 448 4.773 -0.927 0.009 1.00 15.00 O ATOM 307 CB TYR A 448 4.225 -3.822 -0.522 1.00 15.00 C ATOM 308 CG TYR A 448 5.346 -4.456 0.273 1.00 15.00 C ATOM 309 CD1 TYR A 448 5.079 -5.423 1.234 1.00 15.00 C ATOM 310 CD2 TYR A 448 6.669 -4.091 0.059 1.00 15.00 C ATOM 311 CE1 TYR A 448 6.098 -6.006 1.961 1.00 15.00 C ATOM 312 CE2 TYR A 448 7.694 -4.671 0.783 1.00 15.00 C ATOM 313 CZ TYR A 448 7.403 -5.626 1.733 1.00 15.00 C ATOM 314 OH TYR A 448 8.420 -6.207 2.457 1.00 15.00 O ATOM 0 H TYR A 448 2.506 -2.223 -1.510 1.00 15.00 H new ATOM 0 HA TYR A 448 2.952 -3.374 1.149 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.587 -4.609 -0.923 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.651 -3.292 -1.374 1.00 15.00 H new ATOM 0 HD1 TYR A 448 4.058 -5.724 1.415 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.900 -3.343 -0.684 1.00 15.00 H new ATOM 0 HE1 TYR A 448 5.873 -6.756 2.705 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.718 -4.377 0.605 1.00 15.00 H new ATOM 0 HH TYR A 448 9.279 -5.830 2.175 1.00 15.00 H new ATOM 324 N ASN A 449 4.268 -1.543 2.109 1.00 15.00 N ATOM 325 CA ASN A 449 5.102 -0.521 2.717 1.00 15.00 C ATOM 326 C ASN A 449 6.483 -1.101 2.972 1.00 15.00 C ATOM 327 O ASN A 449 6.644 -2.030 3.767 1.00 15.00 O ATOM 328 CB ASN A 449 4.476 -0.005 4.018 1.00 15.00 C ATOM 329 CG ASN A 449 5.225 1.180 4.613 1.00 15.00 C ATOM 330 OD1 ASN A 449 6.435 1.319 4.456 1.00 15.00 O ATOM 331 ND2 ASN A 449 4.505 2.042 5.312 1.00 15.00 N ATOM 0 H ASN A 449 3.751 -2.120 2.773 1.00 15.00 H new ATOM 0 HA ASN A 449 5.185 0.328 2.039 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.443 0.285 3.827 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.450 -0.814 4.748 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.953 2.852 5.740 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.502 1.897 5.423 1.00 15.00 H new ATOM 338 N ASN A 450 7.473 -0.549 2.288 1.00 15.00 N ATOM 339 CA ASN A 450 8.835 -1.073 2.338 1.00 15.00 C ATOM 340 C ASN A 450 9.525 -0.726 3.648 1.00 15.00 C ATOM 341 O ASN A 450 10.544 -1.321 3.998 1.00 15.00 O ATOM 342 CB ASN A 450 9.666 -0.533 1.171 1.00 15.00 C ATOM 343 CG ASN A 450 9.154 -0.984 -0.182 1.00 15.00 C ATOM 344 OD1 ASN A 450 9.561 -2.026 -0.695 1.00 15.00 O ATOM 345 ND2 ASN A 450 8.259 -0.202 -0.764 1.00 15.00 N ATOM 0 H ASN A 450 7.360 0.267 1.687 1.00 15.00 H new ATOM 0 HA ASN A 450 8.761 -2.158 2.263 1.00 15.00 H new ATOM 0 HB2 ASN A 450 9.668 0.556 1.207 1.00 15.00 H new ATOM 0 HB3 ASN A 450 10.700 -0.858 1.288 1.00 15.00 H new ATOM 0 HD21 ASN A 450 7.877 -0.454 -1.676 1.00 15.00 H new ATOM 0 HD22 ASN A 450 7.951 0.653 -0.301 1.00 15.00 H new ATOM 352 N ARG A 451 8.981 0.243 4.365 1.00 15.00 N ATOM 353 CA ARG A 451 9.603 0.708 5.593 1.00 15.00 C ATOM 354 C ARG A 451 9.085 -0.092 6.785 1.00 15.00 C ATOM 355 O ARG A 451 9.679 -0.081 7.862 1.00 15.00 O ATOM 356 CB ARG A 451 9.338 2.204 5.780 1.00 15.00 C ATOM 357 CG ARG A 451 10.264 2.879 6.782 1.00 15.00 C ATOM 358 CD ARG A 451 10.024 4.379 6.833 1.00 15.00 C ATOM 359 NE ARG A 451 10.189 5.004 5.518 1.00 15.00 N ATOM 360 CZ ARG A 451 9.313 5.856 4.983 1.00 15.00 C ATOM 361 NH1 ARG A 451 8.232 6.212 5.662 1.00 15.00 N ATOM 362 NH2 ARG A 451 9.521 6.353 3.772 1.00 15.00 N ATOM 0 H ARG A 451 8.114 0.721 4.119 1.00 15.00 H new ATOM 0 HA ARG A 451 10.680 0.556 5.527 1.00 15.00 H new ATOM 0 HB2 ARG A 451 9.438 2.703 4.816 1.00 15.00 H new ATOM 0 HB3 ARG A 451 8.307 2.341 6.105 1.00 15.00 H new ATOM 0 HG2 ARG A 451 10.107 2.450 7.772 1.00 15.00 H new ATOM 0 HG3 ARG A 451 11.301 2.684 6.510 1.00 15.00 H new ATOM 0 HD2 ARG A 451 9.017 4.573 7.203 1.00 15.00 H new ATOM 0 HD3 ARG A 451 10.717 4.834 7.541 1.00 15.00 H new ATOM 0 HE ARG A 451 11.024 4.774 4.979 1.00 15.00 H new ATOM 0 HH11 ARG A 451 8.069 5.834 6.595 1.00 15.00 H new ATOM 0 HH12 ARG A 451 7.563 6.864 5.251 1.00 15.00 H new ATOM 0 HH21 ARG A 451 10.353 6.084 3.246 1.00 15.00 H new ATOM 0 HH22 ARG A 451 8.849 7.004 3.366 1.00 15.00 H new ATOM 376 N THR A 452 7.967 -0.781 6.584 1.00 15.00 N ATOM 377 CA THR A 452 7.393 -1.625 7.622 1.00 15.00 C ATOM 378 C THR A 452 7.498 -3.097 7.244 1.00 15.00 C ATOM 379 O THR A 452 7.349 -3.977 8.092 1.00 15.00 O ATOM 380 CB THR A 452 5.910 -1.282 7.859 1.00 15.00 C ATOM 381 OG1 THR A 452 5.169 -1.455 6.645 1.00 15.00 O ATOM 382 CG2 THR A 452 5.748 0.148 8.343 1.00 15.00 C ATOM 0 H THR A 452 7.441 -0.771 5.710 1.00 15.00 H new ATOM 0 HA THR A 452 7.958 -1.440 8.535 1.00 15.00 H new ATOM 0 HB THR A 452 5.529 -1.955 8.627 1.00 15.00 H new ATOM 0 HG1 THR A 452 4.290 -1.032 6.735 1.00 15.00 H new ATOM 0 HG21 THR A 452 4.691 0.361 8.502 1.00 15.00 H new ATOM 0 HG22 THR A 452 6.289 0.278 9.280 1.00 15.00 H new ATOM 0 HG23 THR A 452 6.148 0.833 7.595 1.00 15.00 H new ATOM 390 N LEU A 453 7.747 -3.342 5.952 1.00 15.00 N ATOM 391 CA LEU A 453 7.788 -4.693 5.386 1.00 15.00 C ATOM 392 C LEU A 453 6.398 -5.322 5.427 1.00 15.00 C ATOM 393 O LEU A 453 6.248 -6.539 5.307 1.00 15.00 O ATOM 394 CB LEU A 453 8.799 -5.579 6.129 1.00 15.00 C ATOM 395 CG LEU A 453 10.246 -5.082 6.104 1.00 15.00 C ATOM 396 CD1 LEU A 453 11.159 -6.083 6.794 1.00 15.00 C ATOM 397 CD2 LEU A 453 10.707 -4.836 4.675 1.00 15.00 C ATOM 0 H LEU A 453 7.926 -2.606 5.269 1.00 15.00 H new ATOM 0 HA LEU A 453 8.113 -4.615 4.348 1.00 15.00 H new ATOM 0 HB2 LEU A 453 8.482 -5.671 7.168 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.768 -6.579 5.696 1.00 15.00 H new ATOM 0 HG LEU A 453 10.295 -4.136 6.644 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.185 -5.717 6.769 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.844 -6.209 7.830 1.00 15.00 H new ATOM 0 HD13 LEU A 453 11.103 -7.042 6.279 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.738 -4.483 4.681 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.644 -5.765 4.108 1.00 15.00 H new ATOM 0 HD23 LEU A 453 10.069 -4.084 4.211 1.00 15.00 H new ATOM 409 N GLU A 454 5.385 -4.472 5.532 1.00 15.00 N ATOM 410 CA GLU A 454 4.011 -4.927 5.691 1.00 15.00 C ATOM 411 C GLU A 454 3.209 -4.764 4.406 1.00 15.00 C ATOM 412 O GLU A 454 3.254 -3.718 3.753 1.00 15.00 O ATOM 413 CB GLU A 454 3.337 -4.154 6.822 1.00 15.00 C ATOM 414 CG GLU A 454 3.726 -4.642 8.206 1.00 15.00 C ATOM 415 CD GLU A 454 3.211 -6.038 8.480 1.00 15.00 C ATOM 416 OE1 GLU A 454 1.977 -6.206 8.598 1.00 15.00 O ATOM 417 OE2 GLU A 454 4.027 -6.976 8.567 1.00 15.00 O ATOM 0 H GLU A 454 5.491 -3.458 5.510 1.00 15.00 H new ATOM 0 HA GLU A 454 4.039 -5.989 5.934 1.00 15.00 H new ATOM 0 HB2 GLU A 454 3.593 -3.098 6.733 1.00 15.00 H new ATOM 0 HB3 GLU A 454 2.256 -4.230 6.709 1.00 15.00 H new ATOM 0 HG2 GLU A 454 4.812 -4.631 8.303 1.00 15.00 H new ATOM 0 HG3 GLU A 454 3.332 -3.956 8.956 1.00 15.00 H new ATOM 424 N SER A 455 2.459 -5.801 4.067 1.00 15.00 N ATOM 425 CA SER A 455 1.570 -5.769 2.920 1.00 15.00 C ATOM 426 C SER A 455 0.171 -5.345 3.360 1.00 15.00 C ATOM 427 O SER A 455 -0.483 -6.042 4.136 1.00 15.00 O ATOM 428 CB SER A 455 1.531 -7.146 2.255 1.00 15.00 C ATOM 429 OG SER A 455 1.266 -8.168 3.208 1.00 15.00 O ATOM 0 H SER A 455 2.450 -6.684 4.578 1.00 15.00 H new ATOM 0 HA SER A 455 1.941 -5.044 2.196 1.00 15.00 H new ATOM 0 HB2 SER A 455 0.763 -7.158 1.481 1.00 15.00 H new ATOM 0 HB3 SER A 455 2.483 -7.342 1.762 1.00 15.00 H new ATOM 0 HG SER A 455 0.569 -7.865 3.827 1.00 15.00 H new ATOM 435 N TYR A 456 -0.274 -4.194 2.886 1.00 15.00 N ATOM 436 CA TYR A 456 -1.571 -3.670 3.278 1.00 15.00 C ATOM 437 C TYR A 456 -2.634 -4.001 2.247 1.00 15.00 C ATOM 438 O TYR A 456 -2.599 -3.514 1.118 1.00 15.00 O ATOM 439 CB TYR A 456 -1.487 -2.161 3.504 1.00 15.00 C ATOM 440 CG TYR A 456 -0.764 -1.803 4.779 1.00 15.00 C ATOM 441 CD1 TYR A 456 0.615 -1.639 4.796 1.00 15.00 C ATOM 442 CD2 TYR A 456 -1.457 -1.661 5.973 1.00 15.00 C ATOM 443 CE1 TYR A 456 1.283 -1.335 5.966 1.00 15.00 C ATOM 444 CE2 TYR A 456 -0.796 -1.364 7.149 1.00 15.00 C ATOM 445 CZ TYR A 456 0.575 -1.201 7.140 1.00 15.00 C ATOM 446 OH TYR A 456 1.240 -0.910 8.308 1.00 15.00 O ATOM 0 H TYR A 456 0.242 -3.606 2.231 1.00 15.00 H new ATOM 0 HA TYR A 456 -1.860 -4.147 4.214 1.00 15.00 H new ATOM 0 HB2 TYR A 456 -0.976 -1.699 2.659 1.00 15.00 H new ATOM 0 HB3 TYR A 456 -2.494 -1.745 3.533 1.00 15.00 H new ATOM 0 HD1 TYR A 456 1.174 -1.751 3.879 1.00 15.00 H new ATOM 0 HD2 TYR A 456 -2.530 -1.785 5.983 1.00 15.00 H new ATOM 0 HE1 TYR A 456 2.355 -1.203 5.960 1.00 15.00 H new ATOM 0 HE2 TYR A 456 -1.349 -1.260 8.071 1.00 15.00 H new ATOM 0 HH TYR A 456 0.596 -0.848 9.044 1.00 15.00 H new ATOM 456 N TRP A 457 -3.572 -4.845 2.648 1.00 15.00 N ATOM 457 CA TRP A 457 -4.697 -5.210 1.803 1.00 15.00 C ATOM 458 C TRP A 457 -5.830 -4.213 2.015 1.00 15.00 C ATOM 459 O TRP A 457 -6.909 -4.325 1.430 1.00 15.00 O ATOM 460 CB TRP A 457 -5.166 -6.632 2.131 1.00 15.00 C ATOM 461 CG TRP A 457 -4.084 -7.662 2.006 1.00 15.00 C ATOM 462 CD1 TRP A 457 -3.206 -8.047 2.978 1.00 15.00 C ATOM 463 CD2 TRP A 457 -3.767 -8.444 0.847 1.00 15.00 C ATOM 464 NE1 TRP A 457 -2.360 -9.014 2.495 1.00 15.00 N ATOM 465 CE2 TRP A 457 -2.684 -9.276 1.190 1.00 15.00 C ATOM 466 CE3 TRP A 457 -4.292 -8.519 -0.447 1.00 15.00 C ATOM 467 CZ2 TRP A 457 -2.117 -10.170 0.286 1.00 15.00 C ATOM 468 CZ3 TRP A 457 -3.729 -9.410 -1.342 1.00 15.00 C ATOM 469 CH2 TRP A 457 -2.652 -10.225 -0.972 1.00 15.00 C ATOM 0 H TRP A 457 -3.575 -5.294 3.564 1.00 15.00 H new ATOM 0 HA TRP A 457 -4.389 -5.185 0.758 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -5.559 -6.651 3.147 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -5.988 -6.897 1.466 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -3.181 -7.648 3.981 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -1.612 -9.464 3.022 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -5.121 -7.893 -0.742 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -1.285 -10.798 0.568 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -4.127 -9.479 -2.344 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -2.235 -10.911 -1.695 1.00 15.00 H new ATOM 480 N GLU A 458 -5.560 -3.242 2.872 1.00 15.00 N ATOM 481 CA GLU A 458 -6.490 -2.170 3.162 1.00 15.00 C ATOM 482 C GLU A 458 -5.792 -0.847 2.878 1.00 15.00 C ATOM 483 O GLU A 458 -4.669 -0.638 3.331 1.00 15.00 O ATOM 484 CB GLU A 458 -6.923 -2.241 4.627 1.00 15.00 C ATOM 485 CG GLU A 458 -8.223 -1.515 4.920 1.00 15.00 C ATOM 486 CD GLU A 458 -9.402 -2.153 4.218 1.00 15.00 C ATOM 487 OE1 GLU A 458 -9.863 -3.219 4.672 1.00 15.00 O ATOM 488 OE2 GLU A 458 -9.872 -1.594 3.205 1.00 15.00 O ATOM 0 H GLU A 458 -4.683 -3.178 3.388 1.00 15.00 H new ATOM 0 HA GLU A 458 -7.380 -2.260 2.540 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -7.030 -3.287 4.914 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -6.134 -1.819 5.250 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -8.401 -1.511 5.995 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -8.135 -0.475 4.607 1.00 15.00 H new ATOM 495 N LYS A 459 -6.446 0.031 2.128 1.00 15.00 N ATOM 496 CA LYS A 459 -5.832 1.289 1.718 1.00 15.00 C ATOM 497 C LYS A 459 -5.536 2.180 2.918 1.00 15.00 C ATOM 498 O LYS A 459 -6.444 2.582 3.649 1.00 15.00 O ATOM 499 CB LYS A 459 -6.729 2.034 0.730 1.00 15.00 C ATOM 500 CG LYS A 459 -6.893 1.325 -0.606 1.00 15.00 C ATOM 501 CD LYS A 459 -7.631 2.191 -1.617 1.00 15.00 C ATOM 502 CE LYS A 459 -9.078 2.433 -1.212 1.00 15.00 C ATOM 503 NZ LYS A 459 -9.908 1.204 -1.334 1.00 15.00 N ATOM 0 H LYS A 459 -7.399 -0.104 1.792 1.00 15.00 H new ATOM 0 HA LYS A 459 -4.889 1.046 1.229 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -7.712 2.173 1.180 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -6.315 3.027 0.555 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -5.912 1.061 -1.001 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -7.438 0.393 -0.459 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -7.118 3.147 -1.718 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -7.604 1.710 -2.595 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -9.111 2.791 -0.183 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -9.502 3.219 -1.837 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -10.906 1.441 -1.163 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -9.805 0.809 -2.290 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -9.594 0.502 -0.634 1.00 15.00 H new ATOM 517 N PRO A 460 -4.253 2.501 3.123 1.00 15.00 N ATOM 518 CA PRO A 460 -3.809 3.364 4.220 1.00 15.00 C ATOM 519 C PRO A 460 -4.237 4.813 4.016 1.00 15.00 C ATOM 520 O PRO A 460 -4.305 5.298 2.884 1.00 15.00 O ATOM 521 CB PRO A 460 -2.284 3.249 4.160 1.00 15.00 C ATOM 522 CG PRO A 460 -1.986 2.903 2.744 1.00 15.00 C ATOM 523 CD PRO A 460 -3.126 2.042 2.290 1.00 15.00 C ATOM 0 HA PRO A 460 -4.237 3.067 5.177 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.805 4.185 4.448 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -1.918 2.481 4.841 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.904 3.800 2.130 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -1.037 2.373 2.662 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -3.331 2.174 1.228 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -2.917 0.984 2.445 1.00 15.00 H new ATOM 531 N GLN A 461 -4.477 5.515 5.116 1.00 15.00 N ATOM 532 CA GLN A 461 -4.893 6.909 5.058 1.00 15.00 C ATOM 533 C GLN A 461 -3.736 7.781 4.573 1.00 15.00 C ATOM 534 O GLN A 461 -3.923 8.939 4.202 1.00 15.00 O ATOM 535 CB GLN A 461 -5.368 7.383 6.438 1.00 15.00 C ATOM 536 CG GLN A 461 -6.212 8.647 6.394 1.00 15.00 C ATOM 537 CD GLN A 461 -7.552 8.429 5.715 1.00 15.00 C ATOM 538 OE1 GLN A 461 -8.092 9.332 5.078 1.00 15.00 O ATOM 539 NE2 GLN A 461 -8.102 7.231 5.858 1.00 15.00 N ATOM 0 H GLN A 461 -4.390 5.140 6.061 1.00 15.00 H new ATOM 0 HA GLN A 461 -5.722 6.997 4.356 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -5.947 6.587 6.906 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -4.498 7.560 7.071 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -6.377 9.005 7.410 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -5.664 9.428 5.866 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -7.620 6.510 6.395 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -9.007 7.031 5.431 1.00 15.00 H new ATOM 548 N GLU A 462 -2.537 7.206 4.581 1.00 15.00 N ATOM 549 CA GLU A 462 -1.340 7.900 4.122 1.00 15.00 C ATOM 550 C GLU A 462 -1.388 8.084 2.606 1.00 15.00 C ATOM 551 O GLU A 462 -0.688 8.926 2.046 1.00 15.00 O ATOM 552 CB GLU A 462 -0.085 7.101 4.492 1.00 15.00 C ATOM 553 CG GLU A 462 -0.166 6.384 5.834 1.00 15.00 C ATOM 554 CD GLU A 462 -0.246 7.323 7.017 1.00 15.00 C ATOM 555 OE1 GLU A 462 -1.364 7.750 7.369 1.00 15.00 O ATOM 556 OE2 GLU A 462 0.808 7.620 7.614 1.00 15.00 O ATOM 0 H GLU A 462 -2.369 6.253 4.903 1.00 15.00 H new ATOM 0 HA GLU A 462 -1.302 8.875 4.607 1.00 15.00 H new ATOM 0 HB2 GLU A 462 0.105 6.364 3.711 1.00 15.00 H new ATOM 0 HB3 GLU A 462 0.770 7.777 4.506 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -1.041 5.734 5.837 1.00 15.00 H new ATOM 0 HG3 GLU A 462 0.708 5.743 5.948 1.00 15.00 H new ATOM 563 N LEU A 463 -2.210 7.269 1.955 1.00 15.00 N ATOM 564 CA LEU A 463 -2.324 7.273 0.504 1.00 15.00 C ATOM 565 C LEU A 463 -3.311 8.340 0.040 1.00 15.00 C ATOM 566 O LEU A 463 -3.210 8.864 -1.072 1.00 15.00 O ATOM 567 CB LEU A 463 -2.759 5.888 0.013 1.00 15.00 C ATOM 568 CG LEU A 463 -2.824 5.709 -1.505 1.00 15.00 C ATOM 569 CD1 LEU A 463 -1.456 5.928 -2.134 1.00 15.00 C ATOM 570 CD2 LEU A 463 -3.353 4.325 -1.847 1.00 15.00 C ATOM 0 H LEU A 463 -2.814 6.589 2.418 1.00 15.00 H new ATOM 0 HA LEU A 463 -1.349 7.510 0.078 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -2.070 5.147 0.418 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -3.743 5.669 0.428 1.00 15.00 H new ATOM 0 HG LEU A 463 -3.506 6.455 -1.912 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -1.527 5.796 -3.214 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -1.112 6.939 -1.914 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -0.748 5.207 -1.726 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -3.395 4.209 -2.930 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -2.691 3.568 -1.426 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -4.353 4.204 -1.430 1.00 15.00 H new ATOM 582 N LYS A 464 -4.294 8.623 0.881 1.00 15.00 N ATOM 583 CA LYS A 464 -5.303 9.621 0.571 1.00 15.00 C ATOM 584 C LYS A 464 -4.810 11.004 0.982 1.00 15.00 C ATOM 585 O LYS A 464 -4.186 11.686 0.140 1.00 15.00 O ATOM 586 CB LYS A 464 -6.616 9.278 1.282 1.00 15.00 C ATOM 587 CG LYS A 464 -7.744 10.262 1.011 1.00 15.00 C ATOM 588 CD LYS A 464 -9.016 9.840 1.729 1.00 15.00 C ATOM 589 CE LYS A 464 -10.099 10.902 1.641 1.00 15.00 C ATOM 590 NZ LYS A 464 -9.727 12.152 2.358 1.00 15.00 N ATOM 591 OXT LYS A 464 -5.022 11.396 2.148 1.00 15.00 O ATOM 0 H LYS A 464 -4.414 8.172 1.788 1.00 15.00 H new ATOM 0 HA LYS A 464 -5.486 9.625 -0.504 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -6.935 8.282 0.973 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -6.435 9.236 2.356 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -7.449 11.259 1.340 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -7.930 10.322 -0.061 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -9.385 8.910 1.297 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -8.791 9.638 2.776 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -10.295 11.132 0.594 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -11.025 10.508 2.059 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -10.574 12.741 2.490 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -9.323 11.913 3.286 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -9.024 12.677 1.799 1.00 15.00 H new TER 605 LYS A 464