USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 291 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 452 THR OG1 : rot 134:sc= 2.25 USER MOD Set 1.2: A 454 TYR OH : rot 180:sc= 0.736 USER MOD Set 2.1: A 436 THR OG1 : rot 84:sc= 1.19 USER MOD Set 2.2: A 450 ASN :FLIP amide:sc= 0.959 F(o=-0.83,f=2.1) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot -39:sc= 0.288 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 169:sc= -0.0318 (180deg=-0.175) USER MOD Single : A 440 THR OG1 : rot 149:sc= 0.063! USER MOD Single : A 444 LYS NZ :NH3+ -151:sc= 0.106 (180deg=-0.193) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot 150:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 449 ASN : amide:sc= -7.19! C(o=-7.2!,f=-20!) USER MOD Single : A 455 SER OG : rot 43:sc= 0.217 USER MOD Single : A 456 THR OG1 : rot -99:sc= 0.774 USER MOD Single : A 459 LYS NZ :NH3+ -130:sc= 1.04 (180deg=0.77) USER MOD Single : A 461 GLN :FLIP amide:sc= -0.116 F(o=-3.3!,f=-0.12) USER MOD Single : A 464 LYS NZ :NH3+ -153:sc= 0.386 (180deg=0.0771) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -20.500 8.622 9.253 1.00 15.00 N ATOM 2 CA GLY A 428 -19.885 8.553 7.905 1.00 15.00 C ATOM 3 C GLY A 428 -18.380 8.426 7.979 1.00 15.00 C ATOM 4 O GLY A 428 -17.741 9.066 8.814 1.00 15.00 O ATOM 0 HA2 GLY A 428 -20.295 7.702 7.362 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -20.147 9.448 7.340 1.00 15.00 H new ATOM 10 N ALA A 429 -17.805 7.605 7.114 1.00 15.00 N ATOM 11 CA ALA A 429 -16.370 7.375 7.133 1.00 15.00 C ATOM 12 C ALA A 429 -15.791 7.415 5.727 1.00 15.00 C ATOM 13 O ALA A 429 -16.285 6.740 4.823 1.00 15.00 O ATOM 14 CB ALA A 429 -16.060 6.039 7.796 1.00 15.00 C ATOM 0 H ALA A 429 -18.308 7.089 6.393 1.00 15.00 H new ATOM 0 HA ALA A 429 -15.905 8.173 7.712 1.00 15.00 H new ATOM 0 HB1 ALA A 429 -14.982 5.878 7.804 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -16.434 6.046 8.820 1.00 15.00 H new ATOM 0 HB3 ALA A 429 -16.542 5.236 7.239 1.00 15.00 H new ATOM 20 N THR A 430 -14.756 8.218 5.549 1.00 15.00 N ATOM 21 CA THR A 430 -14.050 8.283 4.283 1.00 15.00 C ATOM 22 C THR A 430 -13.005 7.173 4.237 1.00 15.00 C ATOM 23 O THR A 430 -11.924 7.297 4.810 1.00 15.00 O ATOM 24 CB THR A 430 -13.368 9.651 4.102 1.00 15.00 C ATOM 25 OG1 THR A 430 -14.288 10.698 4.442 1.00 15.00 O ATOM 26 CG2 THR A 430 -12.892 9.836 2.666 1.00 15.00 C ATOM 0 H THR A 430 -14.385 8.837 6.270 1.00 15.00 H new ATOM 0 HA THR A 430 -14.767 8.153 3.473 1.00 15.00 H new ATOM 0 HB THR A 430 -12.501 9.693 4.762 1.00 15.00 H new ATOM 0 HG1 THR A 430 -13.851 11.568 4.328 1.00 15.00 H new ATOM 0 HG21 THR A 430 -12.414 10.810 2.564 1.00 15.00 H new ATOM 0 HG22 THR A 430 -12.177 9.052 2.416 1.00 15.00 H new ATOM 0 HG23 THR A 430 -13.745 9.778 1.990 1.00 15.00 H new ATOM 34 N ALA A 431 -13.342 6.078 3.583 1.00 15.00 N ATOM 35 CA ALA A 431 -12.508 4.891 3.624 1.00 15.00 C ATOM 36 C ALA A 431 -11.864 4.601 2.278 1.00 15.00 C ATOM 37 O ALA A 431 -12.552 4.385 1.279 1.00 15.00 O ATOM 38 CB ALA A 431 -13.330 3.698 4.087 1.00 15.00 C ATOM 0 H ALA A 431 -14.186 5.985 3.018 1.00 15.00 H new ATOM 0 HA ALA A 431 -11.702 5.074 4.334 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -12.698 2.810 4.116 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -13.726 3.894 5.083 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -14.155 3.534 3.394 1.00 15.00 H new ATOM 44 N VAL A 432 -10.541 4.607 2.264 1.00 15.00 N ATOM 45 CA VAL A 432 -9.782 4.206 1.093 1.00 15.00 C ATOM 46 C VAL A 432 -9.166 2.832 1.331 1.00 15.00 C ATOM 47 O VAL A 432 -7.948 2.673 1.430 1.00 15.00 O ATOM 48 CB VAL A 432 -8.690 5.236 0.725 1.00 15.00 C ATOM 49 CG1 VAL A 432 -9.317 6.461 0.079 1.00 15.00 C ATOM 50 CG2 VAL A 432 -7.886 5.644 1.953 1.00 15.00 C ATOM 0 H VAL A 432 -9.967 4.888 3.059 1.00 15.00 H new ATOM 0 HA VAL A 432 -10.468 4.158 0.247 1.00 15.00 H new ATOM 0 HB VAL A 432 -8.010 4.768 0.013 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -8.536 7.178 -0.175 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -9.846 6.164 -0.827 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -10.019 6.920 0.775 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -7.125 6.369 1.665 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -8.552 6.090 2.692 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -7.405 4.765 2.382 1.00 15.00 H new ATOM 60 N SER A 433 -10.031 1.839 1.428 1.00 15.00 N ATOM 61 CA SER A 433 -9.629 0.496 1.811 1.00 15.00 C ATOM 62 C SER A 433 -9.279 -0.328 0.571 1.00 15.00 C ATOM 63 O SER A 433 -9.116 -1.548 0.646 1.00 15.00 O ATOM 64 CB SER A 433 -10.767 -0.160 2.600 1.00 15.00 C ATOM 65 OG SER A 433 -10.349 -1.357 3.232 1.00 15.00 O ATOM 0 H SER A 433 -11.029 1.939 1.244 1.00 15.00 H new ATOM 0 HA SER A 433 -8.740 0.544 2.440 1.00 15.00 H new ATOM 0 HB2 SER A 433 -11.137 0.537 3.352 1.00 15.00 H new ATOM 0 HB3 SER A 433 -11.598 -0.375 1.928 1.00 15.00 H new ATOM 0 HG SER A 433 -9.747 -1.849 2.635 1.00 15.00 H new ATOM 71 N GLU A 434 -9.143 0.357 -0.563 1.00 15.00 N ATOM 72 CA GLU A 434 -8.768 -0.286 -1.821 1.00 15.00 C ATOM 73 C GLU A 434 -7.329 -0.765 -1.790 1.00 15.00 C ATOM 74 O GLU A 434 -6.928 -1.613 -2.585 1.00 15.00 O ATOM 75 CB GLU A 434 -8.942 0.676 -2.997 1.00 15.00 C ATOM 76 CG GLU A 434 -8.322 2.052 -2.785 1.00 15.00 C ATOM 77 CD GLU A 434 -8.380 2.911 -4.035 1.00 15.00 C ATOM 78 OE1 GLU A 434 -9.421 3.555 -4.268 1.00 15.00 O ATOM 79 OE2 GLU A 434 -7.389 2.933 -4.795 1.00 15.00 O ATOM 0 H GLU A 434 -9.288 1.364 -0.636 1.00 15.00 H new ATOM 0 HA GLU A 434 -9.427 -1.145 -1.949 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -8.501 0.226 -3.886 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -10.007 0.798 -3.196 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -8.842 2.561 -1.973 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -7.283 1.936 -2.475 1.00 15.00 H new ATOM 86 N TRP A 435 -6.565 -0.236 -0.857 1.00 15.00 N ATOM 87 CA TRP A 435 -5.136 -0.450 -0.836 1.00 15.00 C ATOM 88 C TRP A 435 -4.801 -1.682 -0.036 1.00 15.00 C ATOM 89 O TRP A 435 -5.473 -1.992 0.945 1.00 15.00 O ATOM 90 CB TRP A 435 -4.441 0.766 -0.227 1.00 15.00 C ATOM 91 CG TRP A 435 -4.285 1.894 -1.190 1.00 15.00 C ATOM 92 CD1 TRP A 435 -5.224 2.820 -1.547 1.00 15.00 C ATOM 93 CD2 TRP A 435 -3.107 2.205 -1.930 1.00 15.00 C ATOM 94 NE1 TRP A 435 -4.693 3.690 -2.469 1.00 15.00 N ATOM 95 CE2 TRP A 435 -3.390 3.336 -2.715 1.00 15.00 C ATOM 96 CE3 TRP A 435 -1.834 1.633 -1.999 1.00 15.00 C ATOM 97 CZ2 TRP A 435 -2.441 3.906 -3.562 1.00 15.00 C ATOM 98 CZ3 TRP A 435 -0.897 2.197 -2.837 1.00 15.00 C ATOM 99 CH2 TRP A 435 -1.202 3.323 -3.607 1.00 15.00 C ATOM 0 H TRP A 435 -6.915 0.349 -0.098 1.00 15.00 H new ATOM 0 HA TRP A 435 -4.788 -0.592 -1.859 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -5.012 1.109 0.636 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -3.458 0.470 0.139 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -6.232 2.862 -1.162 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -5.187 4.471 -2.900 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.589 0.764 -1.406 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -2.674 4.775 -4.160 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.089 1.762 -2.900 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -0.444 3.743 -4.252 1.00 15.00 H new ATOM 110 N THR A 436 -3.745 -2.370 -0.435 1.00 15.00 N ATOM 111 CA THR A 436 -3.348 -3.544 0.259 1.00 15.00 C ATOM 112 C THR A 436 -1.897 -3.396 0.681 1.00 15.00 C ATOM 113 O THR A 436 -1.097 -2.822 -0.049 1.00 15.00 O ATOM 114 CB THR A 436 -3.573 -4.859 -0.536 1.00 15.00 C ATOM 115 OG1 THR A 436 -4.877 -5.375 -0.264 1.00 15.00 O ATOM 116 CG2 THR A 436 -2.545 -5.928 -0.183 1.00 15.00 C ATOM 0 H THR A 436 -3.161 -2.123 -1.234 1.00 15.00 H new ATOM 0 HA THR A 436 -3.991 -3.638 1.134 1.00 15.00 H new ATOM 0 HB THR A 436 -3.467 -4.615 -1.593 1.00 15.00 H new ATOM 0 HG1 THR A 436 -5.532 -4.930 -0.841 1.00 15.00 H new ATOM 0 HG21 THR A 436 -2.743 -6.829 -0.764 1.00 15.00 H new ATOM 0 HG22 THR A 436 -1.545 -5.561 -0.412 1.00 15.00 H new ATOM 0 HG23 THR A 436 -2.611 -6.160 0.880 1.00 15.00 H new ATOM 124 N GLU A 437 -1.561 -3.845 1.864 1.00 15.00 N ATOM 125 CA GLU A 437 -0.172 -3.794 2.292 1.00 15.00 C ATOM 126 C GLU A 437 0.425 -5.196 2.368 1.00 15.00 C ATOM 127 O GLU A 437 -0.169 -6.116 2.929 1.00 15.00 O ATOM 128 CB GLU A 437 -0.010 -3.053 3.629 1.00 15.00 C ATOM 129 CG GLU A 437 -0.561 -3.776 4.840 1.00 15.00 C ATOM 130 CD GLU A 437 -2.076 -3.833 4.877 1.00 15.00 C ATOM 131 OE1 GLU A 437 -2.659 -4.776 4.309 1.00 15.00 O ATOM 132 OE2 GLU A 437 -2.690 -2.952 5.511 1.00 15.00 O ATOM 0 H GLU A 437 -2.210 -4.244 2.542 1.00 15.00 H new ATOM 0 HA GLU A 437 0.378 -3.227 1.541 1.00 15.00 H new ATOM 0 HB2 GLU A 437 1.050 -2.860 3.793 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.502 -2.083 3.550 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -0.167 -4.792 4.856 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -0.202 -3.281 5.742 1.00 15.00 H new ATOM 139 N TYR A 438 1.607 -5.346 1.789 1.00 15.00 N ATOM 140 CA TYR A 438 2.321 -6.616 1.814 1.00 15.00 C ATOM 141 C TYR A 438 3.700 -6.436 2.407 1.00 15.00 C ATOM 142 O TYR A 438 4.317 -5.378 2.278 1.00 15.00 O ATOM 143 CB TYR A 438 2.494 -7.204 0.415 1.00 15.00 C ATOM 144 CG TYR A 438 1.252 -7.813 -0.191 1.00 15.00 C ATOM 145 CD1 TYR A 438 0.613 -8.885 0.418 1.00 15.00 C ATOM 146 CD2 TYR A 438 0.744 -7.341 -1.391 1.00 15.00 C ATOM 147 CE1 TYR A 438 -0.501 -9.468 -0.154 1.00 15.00 C ATOM 148 CE2 TYR A 438 -0.374 -7.914 -1.968 1.00 15.00 C ATOM 149 CZ TYR A 438 -0.991 -8.978 -1.346 1.00 15.00 C ATOM 150 OH TYR A 438 -2.096 -9.560 -1.923 1.00 15.00 O ATOM 0 H TYR A 438 2.095 -4.600 1.293 1.00 15.00 H new ATOM 0 HA TYR A 438 1.721 -7.295 2.420 1.00 15.00 H new ATOM 0 HB2 TYR A 438 2.853 -6.418 -0.249 1.00 15.00 H new ATOM 0 HB3 TYR A 438 3.271 -7.968 0.454 1.00 15.00 H new ATOM 0 HD1 TYR A 438 0.993 -9.269 1.353 1.00 15.00 H new ATOM 0 HD2 TYR A 438 1.230 -6.512 -1.884 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -0.986 -10.303 0.330 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -0.761 -7.530 -2.900 1.00 15.00 H new ATOM 0 HH TYR A 438 -2.312 -9.095 -2.758 1.00 15.00 H new ATOM 160 N LYS A 439 4.183 -7.487 3.031 1.00 15.00 N ATOM 161 CA LYS A 439 5.547 -7.522 3.514 1.00 15.00 C ATOM 162 C LYS A 439 6.312 -8.659 2.884 1.00 15.00 C ATOM 163 O LYS A 439 5.775 -9.740 2.630 1.00 15.00 O ATOM 164 CB LYS A 439 5.639 -7.674 5.033 1.00 15.00 C ATOM 165 CG LYS A 439 5.687 -6.362 5.793 1.00 15.00 C ATOM 166 CD LYS A 439 4.385 -5.596 5.694 1.00 15.00 C ATOM 167 CE LYS A 439 3.220 -6.371 6.293 1.00 15.00 C ATOM 168 NZ LYS A 439 3.436 -6.683 7.731 1.00 15.00 N ATOM 0 H LYS A 439 3.648 -8.335 3.217 1.00 15.00 H new ATOM 0 HA LYS A 439 5.981 -6.562 3.234 1.00 15.00 H new ATOM 0 HB2 LYS A 439 4.781 -8.250 5.381 1.00 15.00 H new ATOM 0 HB3 LYS A 439 6.531 -8.252 5.275 1.00 15.00 H new ATOM 0 HG2 LYS A 439 5.912 -6.559 6.841 1.00 15.00 H new ATOM 0 HG3 LYS A 439 6.499 -5.748 5.403 1.00 15.00 H new ATOM 0 HD2 LYS A 439 4.487 -4.640 6.208 1.00 15.00 H new ATOM 0 HD3 LYS A 439 4.173 -5.375 4.648 1.00 15.00 H new ATOM 0 HE2 LYS A 439 2.304 -5.791 6.182 1.00 15.00 H new ATOM 0 HE3 LYS A 439 3.079 -7.299 5.738 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 2.552 -7.042 8.145 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 4.179 -7.405 7.822 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 3.728 -5.821 8.233 1.00 15.00 H new ATOM 182 N THR A 440 7.575 -8.401 2.669 1.00 15.00 N ATOM 183 CA THR A 440 8.526 -9.434 2.332 1.00 15.00 C ATOM 184 C THR A 440 9.094 -9.955 3.632 1.00 15.00 C ATOM 185 O THR A 440 9.065 -9.242 4.634 1.00 15.00 O ATOM 186 CB THR A 440 9.675 -8.927 1.455 1.00 15.00 C ATOM 187 OG1 THR A 440 10.417 -7.945 2.177 1.00 15.00 O ATOM 188 CG2 THR A 440 9.162 -8.337 0.153 1.00 15.00 C ATOM 0 H THR A 440 7.977 -7.465 2.722 1.00 15.00 H new ATOM 0 HA THR A 440 8.012 -10.206 1.759 1.00 15.00 H new ATOM 0 HB THR A 440 10.318 -9.771 1.205 1.00 15.00 H new ATOM 0 HG1 THR A 440 11.356 -7.975 1.899 1.00 15.00 H new ATOM 0 HG21 THR A 440 10.004 -7.987 -0.445 1.00 15.00 H new ATOM 0 HG22 THR A 440 8.615 -9.100 -0.402 1.00 15.00 H new ATOM 0 HG23 THR A 440 8.498 -7.500 0.369 1.00 15.00 H new ATOM 196 N ALA A 441 9.494 -11.207 3.656 1.00 15.00 N ATOM 197 CA ALA A 441 10.098 -11.797 4.851 1.00 15.00 C ATOM 198 C ALA A 441 11.150 -10.874 5.494 1.00 15.00 C ATOM 199 O ALA A 441 11.296 -10.861 6.718 1.00 15.00 O ATOM 200 CB ALA A 441 10.718 -13.145 4.516 1.00 15.00 C ATOM 0 H ALA A 441 9.416 -11.845 2.864 1.00 15.00 H new ATOM 0 HA ALA A 441 9.300 -11.934 5.580 1.00 15.00 H new ATOM 0 HB1 ALA A 441 11.164 -13.573 5.414 1.00 15.00 H new ATOM 0 HB2 ALA A 441 9.947 -13.816 4.138 1.00 15.00 H new ATOM 0 HB3 ALA A 441 11.488 -13.013 3.756 1.00 15.00 H new ATOM 206 N ASP A 442 11.867 -10.095 4.681 1.00 15.00 N ATOM 207 CA ASP A 442 12.880 -9.166 5.200 1.00 15.00 C ATOM 208 C ASP A 442 12.248 -7.863 5.704 1.00 15.00 C ATOM 209 O ASP A 442 12.940 -6.974 6.196 1.00 15.00 O ATOM 210 CB ASP A 442 13.954 -8.865 4.147 1.00 15.00 C ATOM 211 CG ASP A 442 13.457 -8.003 3.005 1.00 15.00 C ATOM 212 OD1 ASP A 442 12.893 -8.562 2.039 1.00 15.00 O ATOM 213 OD2 ASP A 442 13.637 -6.768 3.058 1.00 15.00 O ATOM 0 H ASP A 442 11.768 -10.087 3.666 1.00 15.00 H new ATOM 0 HA ASP A 442 13.358 -9.659 6.047 1.00 15.00 H new ATOM 0 HB2 ASP A 442 14.794 -8.366 4.629 1.00 15.00 H new ATOM 0 HB3 ASP A 442 14.330 -9.805 3.745 1.00 15.00 H new ATOM 218 N GLY A 443 10.933 -7.765 5.590 1.00 15.00 N ATOM 219 CA GLY A 443 10.189 -6.684 6.207 1.00 15.00 C ATOM 220 C GLY A 443 10.037 -5.488 5.309 1.00 15.00 C ATOM 221 O GLY A 443 9.943 -4.354 5.777 1.00 15.00 O ATOM 0 H GLY A 443 10.357 -8.428 5.071 1.00 15.00 H new ATOM 0 HA2 GLY A 443 9.201 -7.046 6.491 1.00 15.00 H new ATOM 0 HA3 GLY A 443 10.693 -6.381 7.125 1.00 15.00 H new ATOM 225 N LYS A 444 9.995 -5.736 4.015 1.00 15.00 N ATOM 226 CA LYS A 444 9.630 -4.710 3.065 1.00 15.00 C ATOM 227 C LYS A 444 8.150 -4.461 3.140 1.00 15.00 C ATOM 228 O LYS A 444 7.361 -5.312 2.736 1.00 15.00 O ATOM 229 CB LYS A 444 9.978 -5.121 1.646 1.00 15.00 C ATOM 230 CG LYS A 444 11.455 -5.142 1.390 1.00 15.00 C ATOM 231 CD LYS A 444 11.778 -5.542 -0.039 1.00 15.00 C ATOM 232 CE LYS A 444 13.207 -6.044 -0.169 1.00 15.00 C ATOM 233 NZ LYS A 444 14.184 -5.118 0.460 1.00 15.00 N ATOM 0 H LYS A 444 10.210 -6.642 3.599 1.00 15.00 H new ATOM 0 HA LYS A 444 10.187 -3.808 3.317 1.00 15.00 H new ATOM 0 HB2 LYS A 444 9.566 -6.111 1.448 1.00 15.00 H new ATOM 0 HB3 LYS A 444 9.503 -4.433 0.947 1.00 15.00 H new ATOM 0 HG2 LYS A 444 11.873 -4.156 1.594 1.00 15.00 H new ATOM 0 HG3 LYS A 444 11.933 -5.839 2.079 1.00 15.00 H new ATOM 0 HD2 LYS A 444 11.087 -6.320 -0.365 1.00 15.00 H new ATOM 0 HD3 LYS A 444 11.630 -4.687 -0.699 1.00 15.00 H new ATOM 0 HE2 LYS A 444 13.289 -7.027 0.295 1.00 15.00 H new ATOM 0 HE3 LYS A 444 13.453 -6.168 -1.224 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 15.098 -5.191 -0.031 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 13.831 -4.142 0.391 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 14.308 -5.372 1.461 1.00 15.00 H new ATOM 247 N THR A 445 7.759 -3.331 3.680 1.00 15.00 N ATOM 248 CA THR A 445 6.365 -2.990 3.659 1.00 15.00 C ATOM 249 C THR A 445 6.089 -2.131 2.433 1.00 15.00 C ATOM 250 O THR A 445 6.203 -0.905 2.473 1.00 15.00 O ATOM 251 CB THR A 445 5.959 -2.227 4.935 1.00 15.00 C ATOM 252 OG1 THR A 445 6.442 -2.936 6.084 1.00 15.00 O ATOM 253 CG2 THR A 445 4.446 -2.073 5.026 1.00 15.00 C ATOM 0 H THR A 445 8.372 -2.650 4.128 1.00 15.00 H new ATOM 0 HA THR A 445 5.777 -3.907 3.618 1.00 15.00 H new ATOM 0 HB THR A 445 6.400 -1.231 4.898 1.00 15.00 H new ATOM 0 HG1 THR A 445 6.187 -2.453 6.898 1.00 15.00 H new ATOM 0 HG21 THR A 445 4.190 -1.531 5.936 1.00 15.00 H new ATOM 0 HG22 THR A 445 4.084 -1.519 4.160 1.00 15.00 H new ATOM 0 HG23 THR A 445 3.981 -3.058 5.047 1.00 15.00 H new ATOM 261 N TYR A 446 5.768 -2.790 1.335 1.00 15.00 N ATOM 262 CA TYR A 446 5.328 -2.100 0.136 1.00 15.00 C ATOM 263 C TYR A 446 3.827 -2.253 -0.032 1.00 15.00 C ATOM 264 O TYR A 446 3.246 -3.279 0.335 1.00 15.00 O ATOM 265 CB TYR A 446 6.066 -2.623 -1.099 1.00 15.00 C ATOM 266 CG TYR A 446 5.825 -4.084 -1.412 1.00 15.00 C ATOM 267 CD1 TYR A 446 6.443 -5.090 -0.678 1.00 15.00 C ATOM 268 CD2 TYR A 446 4.990 -4.452 -2.456 1.00 15.00 C ATOM 269 CE1 TYR A 446 6.231 -6.421 -0.976 1.00 15.00 C ATOM 270 CE2 TYR A 446 4.770 -5.778 -2.760 1.00 15.00 C ATOM 271 CZ TYR A 446 5.393 -6.760 -2.019 1.00 15.00 C ATOM 272 OH TYR A 446 5.180 -8.083 -2.326 1.00 15.00 O ATOM 0 H TYR A 446 5.804 -3.806 1.248 1.00 15.00 H new ATOM 0 HA TYR A 446 5.563 -1.041 0.242 1.00 15.00 H new ATOM 0 HB2 TYR A 446 5.768 -2.027 -1.962 1.00 15.00 H new ATOM 0 HB3 TYR A 446 7.136 -2.468 -0.958 1.00 15.00 H new ATOM 0 HD1 TYR A 446 7.099 -4.826 0.138 1.00 15.00 H new ATOM 0 HD2 TYR A 446 4.503 -3.686 -3.041 1.00 15.00 H new ATOM 0 HE1 TYR A 446 6.718 -7.192 -0.397 1.00 15.00 H new ATOM 0 HE2 TYR A 446 4.113 -6.047 -3.574 1.00 15.00 H new ATOM 0 HH TYR A 446 4.564 -8.148 -3.085 1.00 15.00 H new ATOM 282 N TYR A 447 3.198 -1.244 -0.599 1.00 15.00 N ATOM 283 CA TYR A 447 1.756 -1.234 -0.712 1.00 15.00 C ATOM 284 C TYR A 447 1.305 -1.597 -2.115 1.00 15.00 C ATOM 285 O TYR A 447 1.554 -0.873 -3.082 1.00 15.00 O ATOM 286 CB TYR A 447 1.191 0.119 -0.283 1.00 15.00 C ATOM 287 CG TYR A 447 1.526 0.451 1.154 1.00 15.00 C ATOM 288 CD1 TYR A 447 0.832 -0.147 2.199 1.00 15.00 C ATOM 289 CD2 TYR A 447 2.539 1.346 1.467 1.00 15.00 C ATOM 290 CE1 TYR A 447 1.135 0.141 3.517 1.00 15.00 C ATOM 291 CE2 TYR A 447 2.850 1.639 2.781 1.00 15.00 C ATOM 292 CZ TYR A 447 2.145 1.036 3.803 1.00 15.00 C ATOM 293 OH TYR A 447 2.450 1.337 5.110 1.00 15.00 O ATOM 0 H TYR A 447 3.662 -0.423 -0.987 1.00 15.00 H new ATOM 0 HA TYR A 447 1.363 -1.996 -0.039 1.00 15.00 H new ATOM 0 HB2 TYR A 447 1.585 0.898 -0.935 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.108 0.115 -0.410 1.00 15.00 H new ATOM 0 HD1 TYR A 447 0.042 -0.849 1.978 1.00 15.00 H new ATOM 0 HD2 TYR A 447 3.093 1.821 0.671 1.00 15.00 H new ATOM 0 HE1 TYR A 447 0.585 -0.332 4.317 1.00 15.00 H new ATOM 0 HE2 TYR A 447 3.642 2.337 3.008 1.00 15.00 H new ATOM 0 HH TYR A 447 3.401 1.564 5.180 1.00 15.00 H new ATOM 303 N TYR A 448 0.667 -2.749 -2.206 1.00 15.00 N ATOM 304 CA TYR A 448 0.059 -3.213 -3.432 1.00 15.00 C ATOM 305 C TYR A 448 -1.453 -3.127 -3.288 1.00 15.00 C ATOM 306 O TYR A 448 -2.040 -3.828 -2.490 1.00 15.00 O ATOM 307 CB TYR A 448 0.491 -4.656 -3.722 1.00 15.00 C ATOM 308 CG TYR A 448 -0.025 -5.218 -5.031 1.00 15.00 C ATOM 309 CD1 TYR A 448 0.705 -5.073 -6.204 1.00 15.00 C ATOM 310 CD2 TYR A 448 -1.236 -5.898 -5.093 1.00 15.00 C ATOM 311 CE1 TYR A 448 0.242 -5.585 -7.401 1.00 15.00 C ATOM 312 CE2 TYR A 448 -1.704 -6.414 -6.286 1.00 15.00 C ATOM 313 CZ TYR A 448 -0.963 -6.253 -7.436 1.00 15.00 C ATOM 314 OH TYR A 448 -1.425 -6.763 -8.628 1.00 15.00 O ATOM 0 H TYR A 448 0.557 -3.392 -1.422 1.00 15.00 H new ATOM 0 HA TYR A 448 0.382 -2.590 -4.266 1.00 15.00 H new ATOM 0 HB2 TYR A 448 1.580 -4.701 -3.726 1.00 15.00 H new ATOM 0 HB3 TYR A 448 0.149 -5.294 -2.908 1.00 15.00 H new ATOM 0 HD1 TYR A 448 1.650 -4.551 -6.180 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -1.820 -6.025 -4.194 1.00 15.00 H new ATOM 0 HE1 TYR A 448 0.821 -5.462 -8.304 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -2.646 -6.941 -6.317 1.00 15.00 H new ATOM 0 HH TYR A 448 -2.287 -7.206 -8.482 1.00 15.00 H new ATOM 324 N ASN A 449 -2.077 -2.251 -4.038 1.00 15.00 N ATOM 325 CA ASN A 449 -3.521 -2.061 -3.943 1.00 15.00 C ATOM 326 C ASN A 449 -4.232 -2.972 -4.892 1.00 15.00 C ATOM 327 O ASN A 449 -3.689 -3.341 -5.913 1.00 15.00 O ATOM 328 CB ASN A 449 -3.822 -0.596 -4.074 1.00 15.00 C ATOM 329 CG ASN A 449 -5.269 -0.210 -4.397 1.00 15.00 C ATOM 330 OD1 ASN A 449 -6.004 -0.908 -5.088 1.00 15.00 O ATOM 331 ND2 ASN A 449 -5.663 0.961 -3.948 1.00 15.00 N ATOM 0 H ASN A 449 -1.615 -1.654 -4.724 1.00 15.00 H new ATOM 0 HA ASN A 449 -3.909 -2.354 -2.968 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -3.541 -0.108 -3.141 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -3.180 -0.187 -4.854 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -6.596 1.306 -4.173 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -5.035 1.525 -3.375 1.00 15.00 H new ATOM 338 N ASN A 450 -5.435 -3.363 -4.506 1.00 15.00 N ATOM 339 CA ASN A 450 -6.070 -4.532 -5.070 1.00 15.00 C ATOM 340 C ASN A 450 -7.305 -4.180 -5.890 1.00 15.00 C ATOM 341 O ASN A 450 -7.930 -5.056 -6.489 1.00 15.00 O ATOM 342 CB ASN A 450 -6.415 -5.500 -3.938 1.00 15.00 C ATOM 343 CG ASN A 450 -7.305 -4.876 -2.856 1.00 15.00 C ATOM 344 OD1 ASN A 450 -6.729 -4.390 -1.742 1.00 15.00 O flip ATOM 345 ND2 ASN A 450 -8.527 -4.856 -3.002 1.00 15.00 N flip ATOM 0 H ASN A 450 -5.991 -2.881 -3.799 1.00 15.00 H new ATOM 0 HA ASN A 450 -5.374 -5.007 -5.761 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -6.919 -6.371 -4.356 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -5.492 -5.855 -3.479 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -8.945 -5.229 -3.854 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -9.122 -4.466 -2.271 1.00 15.00 H new ATOM 352 N ARG A 451 -7.654 -2.904 -5.927 1.00 15.00 N ATOM 353 CA ARG A 451 -8.734 -2.448 -6.787 1.00 15.00 C ATOM 354 C ARG A 451 -8.172 -1.972 -8.115 1.00 15.00 C ATOM 355 O ARG A 451 -8.717 -2.250 -9.183 1.00 15.00 O ATOM 356 CB ARG A 451 -9.535 -1.319 -6.124 1.00 15.00 C ATOM 357 CG ARG A 451 -10.538 -0.658 -7.058 1.00 15.00 C ATOM 358 CD ARG A 451 -11.733 -0.088 -6.308 1.00 15.00 C ATOM 359 NE ARG A 451 -11.391 1.065 -5.475 1.00 15.00 N ATOM 360 CZ ARG A 451 -12.259 1.661 -4.654 1.00 15.00 C ATOM 361 NH1 ARG A 451 -13.478 1.162 -4.498 1.00 15.00 N ATOM 362 NH2 ARG A 451 -11.898 2.736 -3.969 1.00 15.00 N ATOM 0 H ARG A 451 -7.209 -2.170 -5.376 1.00 15.00 H new ATOM 0 HA ARG A 451 -9.408 -3.287 -6.957 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -10.064 -1.719 -5.259 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -8.843 -0.563 -5.752 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -10.044 0.140 -7.612 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -10.885 -1.387 -7.790 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -12.499 0.205 -7.026 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -12.165 -0.867 -5.680 1.00 15.00 H new ATOM 0 HE ARG A 451 -10.441 1.432 -5.524 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -13.754 0.321 -5.006 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -14.140 1.619 -3.870 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -10.955 3.111 -4.068 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -12.564 3.189 -3.343 1.00 15.00 H new ATOM 376 N THR A 452 -7.075 -1.252 -8.028 1.00 15.00 N ATOM 377 CA THR A 452 -6.454 -0.657 -9.193 1.00 15.00 C ATOM 378 C THR A 452 -5.062 -1.234 -9.416 1.00 15.00 C ATOM 379 O THR A 452 -4.432 -0.985 -10.442 1.00 15.00 O ATOM 380 CB THR A 452 -6.376 0.857 -8.990 1.00 15.00 C ATOM 381 OG1 THR A 452 -6.945 1.186 -7.714 1.00 15.00 O ATOM 382 CG2 THR A 452 -7.143 1.593 -10.066 1.00 15.00 C ATOM 0 H THR A 452 -6.589 -1.062 -7.151 1.00 15.00 H new ATOM 0 HA THR A 452 -7.053 -0.881 -10.076 1.00 15.00 H new ATOM 0 HB THR A 452 -5.329 1.157 -9.039 1.00 15.00 H new ATOM 0 HG1 THR A 452 -6.351 1.806 -7.241 1.00 15.00 H new ATOM 0 HG21 THR A 452 -7.069 2.667 -9.895 1.00 15.00 H new ATOM 0 HG22 THR A 452 -6.723 1.351 -11.042 1.00 15.00 H new ATOM 0 HG23 THR A 452 -8.190 1.292 -10.037 1.00 15.00 H new ATOM 390 N LEU A 453 -4.625 -2.023 -8.436 1.00 15.00 N ATOM 391 CA LEU A 453 -3.319 -2.685 -8.417 1.00 15.00 C ATOM 392 C LEU A 453 -2.143 -1.743 -8.653 1.00 15.00 C ATOM 393 O LEU A 453 -1.816 -1.342 -9.770 1.00 15.00 O ATOM 394 CB LEU A 453 -3.284 -3.970 -9.267 1.00 15.00 C ATOM 395 CG LEU A 453 -3.840 -3.894 -10.692 1.00 15.00 C ATOM 396 CD1 LEU A 453 -2.734 -3.584 -11.689 1.00 15.00 C ATOM 397 CD2 LEU A 453 -4.539 -5.195 -11.053 1.00 15.00 C ATOM 0 H LEU A 453 -5.185 -2.226 -7.608 1.00 15.00 H new ATOM 0 HA LEU A 453 -3.179 -3.022 -7.390 1.00 15.00 H new ATOM 0 HB2 LEU A 453 -2.248 -4.304 -9.328 1.00 15.00 H new ATOM 0 HB3 LEU A 453 -3.837 -4.742 -8.732 1.00 15.00 H new ATOM 0 HG LEU A 453 -4.568 -3.084 -10.735 1.00 15.00 H new ATOM 0 HD11 LEU A 453 -3.153 -3.535 -12.694 1.00 15.00 H new ATOM 0 HD12 LEU A 453 -2.277 -2.626 -11.439 1.00 15.00 H new ATOM 0 HD13 LEU A 453 -1.978 -4.368 -11.649 1.00 15.00 H new ATOM 0 HD21 LEU A 453 -4.930 -5.128 -12.068 1.00 15.00 H new ATOM 0 HD22 LEU A 453 -3.828 -6.019 -10.991 1.00 15.00 H new ATOM 0 HD23 LEU A 453 -5.361 -5.371 -10.359 1.00 15.00 H new ATOM 409 N TYR A 454 -1.528 -1.395 -7.530 1.00 15.00 N ATOM 410 CA TYR A 454 -0.382 -0.483 -7.482 1.00 15.00 C ATOM 411 C TYR A 454 0.786 -1.202 -6.843 1.00 15.00 C ATOM 412 O TYR A 454 0.578 -2.023 -5.959 1.00 15.00 O ATOM 413 CB TYR A 454 -0.674 0.718 -6.580 1.00 15.00 C ATOM 414 CG TYR A 454 -1.939 1.465 -6.842 1.00 15.00 C ATOM 415 CD1 TYR A 454 -3.081 0.929 -6.380 1.00 15.00 C ATOM 416 CD2 TYR A 454 -1.988 2.711 -7.451 1.00 15.00 C ATOM 417 CE1 TYR A 454 -4.273 1.548 -6.487 1.00 15.00 C ATOM 418 CE2 TYR A 454 -3.197 3.382 -7.568 1.00 15.00 C ATOM 419 CZ TYR A 454 -4.348 2.790 -7.078 1.00 15.00 C ATOM 420 OH TYR A 454 -5.561 3.439 -7.167 1.00 15.00 O ATOM 0 H TYR A 454 -1.811 -1.740 -6.613 1.00 15.00 H new ATOM 0 HA TYR A 454 -0.173 -0.158 -8.501 1.00 15.00 H new ATOM 0 HB2 TYR A 454 -0.693 0.370 -5.547 1.00 15.00 H new ATOM 0 HB3 TYR A 454 0.158 1.417 -6.666 1.00 15.00 H new ATOM 0 HD1 TYR A 454 -3.042 -0.039 -5.903 1.00 15.00 H new ATOM 0 HD2 TYR A 454 -1.083 3.159 -7.835 1.00 15.00 H new ATOM 0 HE1 TYR A 454 -5.166 1.072 -6.111 1.00 15.00 H new ATOM 0 HE2 TYR A 454 -3.239 4.355 -8.036 1.00 15.00 H new ATOM 0 HH TYR A 454 -5.437 4.304 -7.610 1.00 15.00 H new ATOM 430 N SER A 455 1.997 -0.869 -7.242 1.00 15.00 N ATOM 431 CA SER A 455 3.168 -1.293 -6.495 1.00 15.00 C ATOM 432 C SER A 455 3.996 -0.083 -6.097 1.00 15.00 C ATOM 433 O SER A 455 4.678 0.515 -6.929 1.00 15.00 O ATOM 434 CB SER A 455 4.018 -2.270 -7.298 1.00 15.00 C ATOM 435 OG SER A 455 4.242 -1.788 -8.613 1.00 15.00 O ATOM 0 H SER A 455 2.197 -0.311 -8.072 1.00 15.00 H new ATOM 0 HA SER A 455 2.826 -1.808 -5.597 1.00 15.00 H new ATOM 0 HB2 SER A 455 4.973 -2.424 -6.796 1.00 15.00 H new ATOM 0 HB3 SER A 455 3.521 -3.239 -7.342 1.00 15.00 H new ATOM 0 HG SER A 455 4.457 -0.833 -8.579 1.00 15.00 H new ATOM 441 N THR A 456 3.907 0.302 -4.838 1.00 15.00 N ATOM 442 CA THR A 456 4.632 1.459 -4.362 1.00 15.00 C ATOM 443 C THR A 456 5.308 1.175 -3.026 1.00 15.00 C ATOM 444 O THR A 456 4.669 0.750 -2.062 1.00 15.00 O ATOM 445 CB THR A 456 3.706 2.697 -4.253 1.00 15.00 C ATOM 446 OG1 THR A 456 4.421 3.815 -3.709 1.00 15.00 O ATOM 447 CG2 THR A 456 2.479 2.408 -3.398 1.00 15.00 C ATOM 0 H THR A 456 3.342 -0.169 -4.131 1.00 15.00 H new ATOM 0 HA THR A 456 5.408 1.681 -5.094 1.00 15.00 H new ATOM 0 HB THR A 456 3.370 2.939 -5.261 1.00 15.00 H new ATOM 0 HG1 THR A 456 4.225 3.895 -2.752 1.00 15.00 H new ATOM 0 HG21 THR A 456 1.854 3.300 -3.345 1.00 15.00 H new ATOM 0 HG22 THR A 456 1.910 1.592 -3.843 1.00 15.00 H new ATOM 0 HG23 THR A 456 2.794 2.126 -2.393 1.00 15.00 H new ATOM 455 N TRP A 457 6.618 1.370 -2.998 1.00 15.00 N ATOM 456 CA TRP A 457 7.385 1.270 -1.762 1.00 15.00 C ATOM 457 C TRP A 457 7.155 2.509 -0.897 1.00 15.00 C ATOM 458 O TRP A 457 7.468 2.520 0.294 1.00 15.00 O ATOM 459 CB TRP A 457 8.877 1.116 -2.071 1.00 15.00 C ATOM 460 CG TRP A 457 9.170 0.038 -3.071 1.00 15.00 C ATOM 461 CD1 TRP A 457 9.296 0.191 -4.422 1.00 15.00 C ATOM 462 CD2 TRP A 457 9.372 -1.355 -2.806 1.00 15.00 C ATOM 463 NE1 TRP A 457 9.555 -1.020 -5.012 1.00 15.00 N ATOM 464 CE2 TRP A 457 9.609 -1.985 -4.042 1.00 15.00 C ATOM 465 CE3 TRP A 457 9.374 -2.133 -1.645 1.00 15.00 C ATOM 466 CZ2 TRP A 457 9.845 -3.352 -4.149 1.00 15.00 C ATOM 467 CZ3 TRP A 457 9.610 -3.489 -1.755 1.00 15.00 C ATOM 468 CH2 TRP A 457 9.842 -4.087 -2.998 1.00 15.00 C ATOM 0 H TRP A 457 7.176 1.600 -3.821 1.00 15.00 H new ATOM 0 HA TRP A 457 7.048 0.389 -1.215 1.00 15.00 H new ATOM 0 HB2 TRP A 457 9.262 2.064 -2.446 1.00 15.00 H new ATOM 0 HB3 TRP A 457 9.411 0.898 -1.146 1.00 15.00 H new ATOM 0 HD1 TRP A 457 9.205 1.129 -4.949 1.00 15.00 H new ATOM 0 HE1 TRP A 457 9.686 -1.176 -6.011 1.00 15.00 H new ATOM 0 HE3 TRP A 457 9.194 -1.682 -0.680 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 10.024 -3.815 -5.108 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 9.616 -4.100 -0.864 1.00 15.00 H new ATOM 0 HH2 TRP A 457 10.022 -5.151 -3.048 1.00 15.00 H new ATOM 479 N GLU A 458 6.630 3.554 -1.525 1.00 15.00 N ATOM 480 CA GLU A 458 6.273 4.787 -0.838 1.00 15.00 C ATOM 481 C GLU A 458 4.879 4.662 -0.239 1.00 15.00 C ATOM 482 O GLU A 458 3.966 4.129 -0.877 1.00 15.00 O ATOM 483 CB GLU A 458 6.321 5.961 -1.825 1.00 15.00 C ATOM 484 CG GLU A 458 5.692 7.249 -1.312 1.00 15.00 C ATOM 485 CD GLU A 458 6.447 7.868 -0.153 1.00 15.00 C ATOM 486 OE1 GLU A 458 6.194 7.484 1.004 1.00 15.00 O ATOM 487 OE2 GLU A 458 7.274 8.771 -0.397 1.00 15.00 O ATOM 0 H GLU A 458 6.440 3.569 -2.527 1.00 15.00 H new ATOM 0 HA GLU A 458 6.986 4.970 -0.034 1.00 15.00 H new ATOM 0 HB2 GLU A 458 7.361 6.158 -2.083 1.00 15.00 H new ATOM 0 HB3 GLU A 458 5.815 5.666 -2.744 1.00 15.00 H new ATOM 0 HG2 GLU A 458 5.640 7.969 -2.128 1.00 15.00 H new ATOM 0 HG3 GLU A 458 4.667 7.045 -1.001 1.00 15.00 H new ATOM 494 N LYS A 459 4.720 5.179 0.968 1.00 15.00 N ATOM 495 CA LYS A 459 3.450 5.136 1.666 1.00 15.00 C ATOM 496 C LYS A 459 2.476 6.108 0.999 1.00 15.00 C ATOM 497 O LYS A 459 2.764 7.297 0.885 1.00 15.00 O ATOM 498 CB LYS A 459 3.676 5.486 3.140 1.00 15.00 C ATOM 499 CG LYS A 459 2.546 5.096 4.082 1.00 15.00 C ATOM 500 CD LYS A 459 3.108 4.748 5.455 1.00 15.00 C ATOM 501 CE LYS A 459 2.024 4.498 6.492 1.00 15.00 C ATOM 502 NZ LYS A 459 1.473 5.764 7.047 1.00 15.00 N ATOM 0 H LYS A 459 5.467 5.639 1.489 1.00 15.00 H new ATOM 0 HA LYS A 459 3.018 4.137 1.616 1.00 15.00 H new ATOM 0 HB2 LYS A 459 4.591 4.999 3.476 1.00 15.00 H new ATOM 0 HB3 LYS A 459 3.839 6.561 3.220 1.00 15.00 H new ATOM 0 HG2 LYS A 459 1.834 5.917 4.169 1.00 15.00 H new ATOM 0 HG3 LYS A 459 2.001 4.244 3.676 1.00 15.00 H new ATOM 0 HD2 LYS A 459 3.735 3.860 5.371 1.00 15.00 H new ATOM 0 HD3 LYS A 459 3.750 5.560 5.796 1.00 15.00 H new ATOM 0 HE2 LYS A 459 1.218 3.920 6.040 1.00 15.00 H new ATOM 0 HE3 LYS A 459 2.432 3.895 7.303 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 1.475 5.717 8.086 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 2.060 6.564 6.735 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 0.499 5.896 6.708 1.00 15.00 H new ATOM 516 N PRO A 460 1.333 5.584 0.524 1.00 15.00 N ATOM 517 CA PRO A 460 0.322 6.345 -0.229 1.00 15.00 C ATOM 518 C PRO A 460 -0.006 7.708 0.375 1.00 15.00 C ATOM 519 O PRO A 460 -0.022 7.873 1.594 1.00 15.00 O ATOM 520 CB PRO A 460 -0.909 5.448 -0.148 1.00 15.00 C ATOM 521 CG PRO A 460 -0.376 4.066 -0.017 1.00 15.00 C ATOM 522 CD PRO A 460 0.947 4.176 0.688 1.00 15.00 C ATOM 0 HA PRO A 460 0.674 6.567 -1.236 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.533 5.712 0.706 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -1.529 5.548 -1.039 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.064 3.438 0.549 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.255 3.604 -0.997 1.00 15.00 H new ATOM 0 HD2 PRO A 460 0.860 3.908 1.741 1.00 15.00 H new ATOM 0 HD3 PRO A 460 1.688 3.507 0.249 1.00 15.00 H new ATOM 530 N GLN A 461 -0.323 8.664 -0.494 1.00 15.00 N ATOM 531 CA GLN A 461 -0.710 10.007 -0.072 1.00 15.00 C ATOM 532 C GLN A 461 -1.967 9.959 0.800 1.00 15.00 C ATOM 533 O GLN A 461 -2.185 10.822 1.648 1.00 15.00 O ATOM 534 CB GLN A 461 -0.955 10.895 -1.301 1.00 15.00 C ATOM 535 CG GLN A 461 -1.413 12.314 -0.978 1.00 15.00 C ATOM 536 CD GLN A 461 -0.280 13.256 -0.601 1.00 15.00 C ATOM 537 OE1 GLN A 461 0.797 12.722 -0.047 1.00 15.00 O flip ATOM 538 NE2 GLN A 461 -0.372 14.463 -0.825 1.00 15.00 N flip ATOM 0 H GLN A 461 -0.319 8.531 -1.505 1.00 15.00 H new ATOM 0 HA GLN A 461 0.103 10.431 0.518 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -0.035 10.948 -1.884 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -1.706 10.420 -1.932 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -1.939 12.721 -1.842 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -2.129 12.276 -0.157 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -1.218 14.839 -1.254 1.00 15.00 H new ATOM 0 HE22 GLN A 461 0.398 15.087 -0.582 1.00 15.00 H new ATOM 547 N GLU A 462 -2.793 8.949 0.570 1.00 15.00 N ATOM 548 CA GLU A 462 -4.026 8.768 1.324 1.00 15.00 C ATOM 549 C GLU A 462 -3.816 7.819 2.505 1.00 15.00 C ATOM 550 O GLU A 462 -4.754 7.500 3.236 1.00 15.00 O ATOM 551 CB GLU A 462 -5.161 8.258 0.413 1.00 15.00 C ATOM 552 CG GLU A 462 -4.756 7.170 -0.579 1.00 15.00 C ATOM 553 CD GLU A 462 -3.937 7.701 -1.741 1.00 15.00 C ATOM 554 OE1 GLU A 462 -4.507 8.364 -2.630 1.00 15.00 O ATOM 555 OE2 GLU A 462 -2.712 7.479 -1.751 1.00 15.00 O ATOM 0 H GLU A 462 -2.630 8.235 -0.140 1.00 15.00 H new ATOM 0 HA GLU A 462 -4.318 9.741 1.720 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -5.965 7.874 1.041 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -5.567 9.103 -0.144 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -4.181 6.405 -0.056 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -5.653 6.686 -0.965 1.00 15.00 H new ATOM 562 N LEU A 463 -2.576 7.380 2.692 1.00 15.00 N ATOM 563 CA LEU A 463 -2.226 6.520 3.817 1.00 15.00 C ATOM 564 C LEU A 463 -1.084 7.124 4.624 1.00 15.00 C ATOM 565 O LEU A 463 -0.489 6.445 5.453 1.00 15.00 O ATOM 566 CB LEU A 463 -1.824 5.117 3.343 1.00 15.00 C ATOM 567 CG LEU A 463 -2.974 4.116 3.175 1.00 15.00 C ATOM 568 CD1 LEU A 463 -3.766 4.389 1.908 1.00 15.00 C ATOM 569 CD2 LEU A 463 -2.443 2.691 3.181 1.00 15.00 C ATOM 0 H LEU A 463 -1.794 7.606 2.077 1.00 15.00 H new ATOM 0 HA LEU A 463 -3.111 6.438 4.448 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -1.306 5.211 2.388 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -1.109 4.704 4.055 1.00 15.00 H new ATOM 0 HG LEU A 463 -3.651 4.239 4.020 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -4.573 3.662 1.820 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -4.186 5.394 1.951 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -3.108 4.308 1.043 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -3.272 1.993 3.061 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -1.738 2.562 2.360 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -1.938 2.495 4.127 1.00 15.00 H new ATOM 581 N LYS A 464 -0.798 8.399 4.388 1.00 15.00 N ATOM 582 CA LYS A 464 0.281 9.092 5.092 1.00 15.00 C ATOM 583 C LYS A 464 0.023 9.125 6.593 1.00 15.00 C ATOM 584 O LYS A 464 0.795 8.495 7.344 1.00 15.00 O ATOM 585 CB LYS A 464 0.446 10.518 4.568 1.00 15.00 C ATOM 586 CG LYS A 464 0.986 10.599 3.148 1.00 15.00 C ATOM 587 CD LYS A 464 2.383 10.006 3.044 1.00 15.00 C ATOM 588 CE LYS A 464 2.956 10.196 1.649 1.00 15.00 C ATOM 589 NZ LYS A 464 4.340 9.666 1.531 1.00 15.00 N ATOM 590 OXT LYS A 464 -0.962 9.760 7.015 1.00 15.00 O ATOM 0 H LYS A 464 -1.298 8.978 3.713 1.00 15.00 H new ATOM 0 HA LYS A 464 1.201 8.538 4.906 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -0.520 11.022 4.607 1.00 15.00 H new ATOM 0 HB3 LYS A 464 1.117 11.062 5.232 1.00 15.00 H new ATOM 0 HG2 LYS A 464 0.314 10.069 2.472 1.00 15.00 H new ATOM 0 HG3 LYS A 464 1.007 11.640 2.825 1.00 15.00 H new ATOM 0 HD2 LYS A 464 3.037 10.478 3.777 1.00 15.00 H new ATOM 0 HD3 LYS A 464 2.349 8.944 3.285 1.00 15.00 H new ATOM 0 HE2 LYS A 464 2.314 9.695 0.924 1.00 15.00 H new ATOM 0 HE3 LYS A 464 2.953 11.257 1.399 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 4.848 10.184 0.786 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 4.836 9.787 2.437 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 4.305 8.656 1.287 1.00 15.00 H new TER 604 LYS A 464