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 449 ASN : amide:sc= -1.34! C(o=-0.12!,f=-11!) USER MOD Set 1.2: A 452 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 430 THR OG1 : rot 180:sc= -0.0563 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0229) USER MOD Single : A 440 THR OG1 : rot 98:sc= 0.136 USER MOD Single : A 444 LYS NZ :NH3+ 161:sc= 1.3 (180deg=1.16) USER MOD Single : A 445 THR OG1 : rot 180:sc= -3.13! 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 USER MOD Single : A 450 ASN : amide:sc= 0.627 K(o=0.63,f=0.0034) USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= 0 USER MOD Single : A 459 LYS NZ :NH3+ 170:sc= 0.478 (180deg=0.41) USER MOD Single : A 461 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 464 LYS NZ :NH3+ 134:sc= -2.18! (180deg=-5.11!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -0.148 11.407 7.198 1.00 15.00 N ATOM 2 CA GLY A 428 0.692 11.221 5.992 1.00 15.00 C ATOM 3 C GLY A 428 0.563 12.380 5.026 1.00 15.00 C ATOM 4 O GLY A 428 1.046 13.478 5.310 1.00 15.00 O ATOM 0 HA2 GLY A 428 1.735 11.112 6.290 1.00 15.00 H new ATOM 0 HA3 GLY A 428 0.406 10.297 5.490 1.00 15.00 H new ATOM 10 N ALA A 429 -0.079 12.124 3.880 1.00 15.00 N ATOM 11 CA ALA A 429 -0.318 13.145 2.854 1.00 15.00 C ATOM 12 C ALA A 429 0.980 13.545 2.157 1.00 15.00 C ATOM 13 O ALA A 429 1.031 14.542 1.434 1.00 15.00 O ATOM 14 CB ALA A 429 -1.019 14.369 3.443 1.00 15.00 C ATOM 0 H ALA A 429 -0.447 11.204 3.638 1.00 15.00 H new ATOM 0 HA ALA A 429 -0.979 12.708 2.105 1.00 15.00 H new ATOM 0 HB1 ALA A 429 -1.182 15.108 2.658 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -1.978 14.071 3.866 1.00 15.00 H new ATOM 0 HB3 ALA A 429 -0.397 14.803 4.226 1.00 15.00 H new ATOM 20 N THR A 430 2.014 12.742 2.353 1.00 15.00 N ATOM 21 CA THR A 430 3.316 12.997 1.763 1.00 15.00 C ATOM 22 C THR A 430 4.126 11.702 1.763 1.00 15.00 C ATOM 23 O THR A 430 3.644 10.678 2.257 1.00 15.00 O ATOM 24 CB THR A 430 4.070 14.112 2.530 1.00 15.00 C ATOM 25 OG1 THR A 430 5.269 14.484 1.832 1.00 15.00 O ATOM 26 CG2 THR A 430 4.420 13.666 3.944 1.00 15.00 C ATOM 0 H THR A 430 1.973 11.898 2.924 1.00 15.00 H new ATOM 0 HA THR A 430 3.179 13.342 0.738 1.00 15.00 H new ATOM 0 HB THR A 430 3.408 14.976 2.591 1.00 15.00 H new ATOM 0 HG1 THR A 430 5.731 15.190 2.330 1.00 15.00 H new ATOM 0 HG21 THR A 430 4.948 14.469 4.458 1.00 15.00 H new ATOM 0 HG22 THR A 430 3.506 13.427 4.487 1.00 15.00 H new ATOM 0 HG23 THR A 430 5.057 12.782 3.900 1.00 15.00 H new ATOM 34 N ALA A 431 5.335 11.747 1.201 1.00 15.00 N ATOM 35 CA ALA A 431 6.210 10.578 1.125 1.00 15.00 C ATOM 36 C ALA A 431 5.566 9.473 0.293 1.00 15.00 C ATOM 37 O ALA A 431 5.747 8.280 0.564 1.00 15.00 O ATOM 38 CB ALA A 431 6.562 10.076 2.522 1.00 15.00 C ATOM 0 H ALA A 431 5.733 12.591 0.788 1.00 15.00 H new ATOM 0 HA ALA A 431 7.135 10.875 0.630 1.00 15.00 H new ATOM 0 HB1 ALA A 431 7.214 9.206 2.442 1.00 15.00 H new ATOM 0 HB2 ALA A 431 7.075 10.864 3.073 1.00 15.00 H new ATOM 0 HB3 ALA A 431 5.649 9.799 3.050 1.00 15.00 H new ATOM 44 N VAL A 432 4.832 9.876 -0.738 1.00 15.00 N ATOM 45 CA VAL A 432 4.170 8.929 -1.620 1.00 15.00 C ATOM 46 C VAL A 432 5.194 8.262 -2.530 1.00 15.00 C ATOM 47 O VAL A 432 5.428 8.693 -3.661 1.00 15.00 O ATOM 48 CB VAL A 432 3.070 9.601 -2.468 1.00 15.00 C ATOM 49 CG1 VAL A 432 2.291 8.562 -3.264 1.00 15.00 C ATOM 50 CG2 VAL A 432 2.134 10.413 -1.585 1.00 15.00 C ATOM 0 H VAL A 432 4.682 10.855 -0.982 1.00 15.00 H new ATOM 0 HA VAL A 432 3.690 8.177 -0.994 1.00 15.00 H new ATOM 0 HB VAL A 432 3.550 10.279 -3.173 1.00 15.00 H new ATOM 0 HG11 VAL A 432 1.521 9.058 -3.854 1.00 15.00 H new ATOM 0 HG12 VAL A 432 2.970 8.029 -3.929 1.00 15.00 H new ATOM 0 HG13 VAL A 432 1.824 7.854 -2.579 1.00 15.00 H new ATOM 0 HG21 VAL A 432 1.365 10.879 -2.201 1.00 15.00 H new ATOM 0 HG22 VAL A 432 1.664 9.757 -0.853 1.00 15.00 H new ATOM 0 HG23 VAL A 432 2.702 11.186 -1.067 1.00 15.00 H new ATOM 60 N SER A 433 5.837 7.240 -1.992 1.00 15.00 N ATOM 61 CA SER A 433 6.847 6.481 -2.707 1.00 15.00 C ATOM 62 C SER A 433 7.131 5.187 -1.954 1.00 15.00 C ATOM 63 O SER A 433 7.502 4.171 -2.542 1.00 15.00 O ATOM 64 CB SER A 433 8.136 7.304 -2.858 1.00 15.00 C ATOM 65 OG SER A 433 9.103 6.620 -3.635 1.00 15.00 O ATOM 0 H SER A 433 5.671 6.912 -1.041 1.00 15.00 H new ATOM 0 HA SER A 433 6.477 6.246 -3.705 1.00 15.00 H new ATOM 0 HB2 SER A 433 7.905 8.262 -3.325 1.00 15.00 H new ATOM 0 HB3 SER A 433 8.548 7.521 -1.872 1.00 15.00 H new ATOM 0 HG SER A 433 9.910 7.171 -3.713 1.00 15.00 H new ATOM 71 N GLU A 434 6.954 5.243 -0.637 1.00 15.00 N ATOM 72 CA GLU A 434 7.180 4.089 0.221 1.00 15.00 C ATOM 73 C GLU A 434 5.995 3.123 0.153 1.00 15.00 C ATOM 74 O GLU A 434 6.100 1.952 0.517 1.00 15.00 O ATOM 75 CB GLU A 434 7.414 4.560 1.658 1.00 15.00 C ATOM 76 CG GLU A 434 7.791 3.448 2.616 1.00 15.00 C ATOM 77 CD GLU A 434 8.991 2.658 2.141 1.00 15.00 C ATOM 78 OE1 GLU A 434 10.117 3.183 2.228 1.00 15.00 O ATOM 79 OE2 GLU A 434 8.805 1.508 1.696 1.00 15.00 O ATOM 0 H GLU A 434 6.653 6.082 -0.141 1.00 15.00 H new ATOM 0 HA GLU A 434 8.064 3.555 -0.126 1.00 15.00 H new ATOM 0 HB2 GLU A 434 8.204 5.311 1.660 1.00 15.00 H new ATOM 0 HB3 GLU A 434 6.510 5.048 2.022 1.00 15.00 H new ATOM 0 HG2 GLU A 434 8.005 3.874 3.596 1.00 15.00 H new ATOM 0 HG3 GLU A 434 6.942 2.775 2.739 1.00 15.00 H new ATOM 86 N TRP A 435 4.861 3.627 -0.299 1.00 15.00 N ATOM 87 CA TRP A 435 3.678 2.802 -0.457 1.00 15.00 C ATOM 88 C TRP A 435 3.490 2.451 -1.924 1.00 15.00 C ATOM 89 O TRP A 435 3.122 3.302 -2.734 1.00 15.00 O ATOM 90 CB TRP A 435 2.441 3.520 0.087 1.00 15.00 C ATOM 91 CG TRP A 435 2.507 3.786 1.559 1.00 15.00 C ATOM 92 CD1 TRP A 435 2.914 4.939 2.168 1.00 15.00 C ATOM 93 CD2 TRP A 435 2.161 2.879 2.610 1.00 15.00 C ATOM 94 NE1 TRP A 435 2.835 4.804 3.534 1.00 15.00 N ATOM 95 CE2 TRP A 435 2.376 3.548 3.829 1.00 15.00 C ATOM 96 CE3 TRP A 435 1.686 1.565 2.638 1.00 15.00 C ATOM 97 CZ2 TRP A 435 2.132 2.947 5.062 1.00 15.00 C ATOM 98 CZ3 TRP A 435 1.445 0.971 3.862 1.00 15.00 C ATOM 99 CH2 TRP A 435 1.669 1.662 5.059 1.00 15.00 C ATOM 0 H TRP A 435 4.735 4.604 -0.563 1.00 15.00 H new ATOM 0 HA TRP A 435 3.811 1.883 0.113 1.00 15.00 H new ATOM 0 HB2 TRP A 435 2.318 4.466 -0.440 1.00 15.00 H new ATOM 0 HB3 TRP A 435 1.558 2.918 -0.127 1.00 15.00 H new ATOM 0 HD1 TRP A 435 3.249 5.827 1.652 1.00 15.00 H new ATOM 0 HE1 TRP A 435 3.079 5.522 4.216 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.511 1.024 1.720 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 2.303 3.478 5.987 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.077 -0.044 3.896 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.472 1.169 5.999 1.00 15.00 H new ATOM 110 N THR A 436 3.782 1.209 -2.268 1.00 15.00 N ATOM 111 CA THR A 436 3.708 0.774 -3.652 1.00 15.00 C ATOM 112 C THR A 436 2.491 -0.121 -3.877 1.00 15.00 C ATOM 113 O THR A 436 2.247 -1.058 -3.113 1.00 15.00 O ATOM 114 CB THR A 436 4.994 0.025 -4.051 1.00 15.00 C ATOM 115 OG1 THR A 436 6.136 0.801 -3.667 1.00 15.00 O ATOM 116 CG2 THR A 436 5.037 -0.233 -5.552 1.00 15.00 C ATOM 0 H THR A 436 4.072 0.485 -1.610 1.00 15.00 H new ATOM 0 HA THR A 436 3.606 1.660 -4.279 1.00 15.00 H new ATOM 0 HB THR A 436 5.005 -0.936 -3.538 1.00 15.00 H new ATOM 0 HG1 THR A 436 6.955 0.325 -3.919 1.00 15.00 H new ATOM 0 HG21 THR A 436 5.956 -0.763 -5.804 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.178 -0.838 -5.842 1.00 15.00 H new ATOM 0 HG23 THR A 436 5.008 0.717 -6.085 1.00 15.00 H new ATOM 124 N GLU A 437 1.729 0.178 -4.924 1.00 15.00 N ATOM 125 CA GLU A 437 0.536 -0.591 -5.247 1.00 15.00 C ATOM 126 C GLU A 437 0.880 -1.744 -6.188 1.00 15.00 C ATOM 127 O GLU A 437 1.419 -1.539 -7.276 1.00 15.00 O ATOM 128 CB GLU A 437 -0.527 0.315 -5.890 1.00 15.00 C ATOM 129 CG GLU A 437 -0.041 1.042 -7.136 1.00 15.00 C ATOM 130 CD GLU A 437 -1.138 1.813 -7.841 1.00 15.00 C ATOM 131 OE1 GLU A 437 -1.895 1.201 -8.622 1.00 15.00 O ATOM 132 OE2 GLU A 437 -1.240 3.041 -7.627 1.00 15.00 O ATOM 0 H GLU A 437 1.918 0.950 -5.564 1.00 15.00 H new ATOM 0 HA GLU A 437 0.134 -1.004 -4.322 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.397 -0.288 -6.149 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.856 1.051 -5.156 1.00 15.00 H new ATOM 0 HG2 GLU A 437 0.758 1.730 -6.859 1.00 15.00 H new ATOM 0 HG3 GLU A 437 0.388 0.317 -7.828 1.00 15.00 H new ATOM 139 N TYR A 438 0.585 -2.958 -5.758 1.00 15.00 N ATOM 140 CA TYR A 438 0.792 -4.126 -6.594 1.00 15.00 C ATOM 141 C TYR A 438 -0.547 -4.676 -7.058 1.00 15.00 C ATOM 142 O TYR A 438 -1.409 -5.010 -6.243 1.00 15.00 O ATOM 143 CB TYR A 438 1.588 -5.196 -5.846 1.00 15.00 C ATOM 144 CG TYR A 438 3.056 -4.864 -5.685 1.00 15.00 C ATOM 145 CD1 TYR A 438 3.494 -4.024 -4.669 1.00 15.00 C ATOM 146 CD2 TYR A 438 4.003 -5.389 -6.554 1.00 15.00 C ATOM 147 CE1 TYR A 438 4.835 -3.718 -4.527 1.00 15.00 C ATOM 148 CE2 TYR A 438 5.344 -5.087 -6.416 1.00 15.00 C ATOM 149 CZ TYR A 438 5.754 -4.250 -5.402 1.00 15.00 C ATOM 150 OH TYR A 438 7.088 -3.943 -5.262 1.00 15.00 O ATOM 0 H TYR A 438 0.201 -3.160 -4.835 1.00 15.00 H new ATOM 0 HA TYR A 438 1.371 -3.830 -7.469 1.00 15.00 H new ATOM 0 HB2 TYR A 438 1.147 -5.340 -4.860 1.00 15.00 H new ATOM 0 HB3 TYR A 438 1.495 -6.143 -6.378 1.00 15.00 H new ATOM 0 HD1 TYR A 438 2.777 -3.604 -3.980 1.00 15.00 H new ATOM 0 HD2 TYR A 438 3.686 -6.045 -7.351 1.00 15.00 H new ATOM 0 HE1 TYR A 438 5.160 -3.063 -3.732 1.00 15.00 H new ATOM 0 HE2 TYR A 438 6.067 -5.505 -7.100 1.00 15.00 H new ATOM 0 HH TYR A 438 7.604 -4.400 -5.959 1.00 15.00 H new ATOM 160 N LYS A 439 -0.718 -4.750 -8.370 1.00 15.00 N ATOM 161 CA LYS A 439 -1.965 -5.208 -8.959 1.00 15.00 C ATOM 162 C LYS A 439 -1.816 -6.625 -9.493 1.00 15.00 C ATOM 163 O LYS A 439 -0.942 -6.900 -10.316 1.00 15.00 O ATOM 164 CB LYS A 439 -2.391 -4.264 -10.090 1.00 15.00 C ATOM 165 CG LYS A 439 -3.721 -4.633 -10.736 1.00 15.00 C ATOM 166 CD LYS A 439 -4.868 -4.557 -9.739 1.00 15.00 C ATOM 167 CE LYS A 439 -5.058 -3.144 -9.209 1.00 15.00 C ATOM 168 NZ LYS A 439 -5.582 -2.219 -10.245 1.00 15.00 N ATOM 0 H LYS A 439 -0.002 -4.496 -9.050 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.733 -5.207 -8.186 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -2.459 -3.250 -9.697 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -1.616 -4.258 -10.856 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -3.919 -3.961 -11.571 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.660 -5.641 -11.145 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.788 -4.894 -10.216 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.674 -5.235 -8.908 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -5.745 -3.165 -8.363 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -4.105 -2.767 -8.837 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -5.791 -1.296 -9.813 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -4.871 -2.098 -10.994 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -6.452 -2.614 -10.655 1.00 15.00 H new ATOM 182 N THR A 440 -2.673 -7.516 -9.028 1.00 15.00 N ATOM 183 CA THR A 440 -2.676 -8.885 -9.499 1.00 15.00 C ATOM 184 C THR A 440 -3.607 -9.028 -10.699 1.00 15.00 C ATOM 185 O THR A 440 -4.581 -8.282 -10.824 1.00 15.00 O ATOM 186 CB THR A 440 -3.108 -9.855 -8.387 1.00 15.00 C ATOM 187 OG1 THR A 440 -4.408 -9.500 -7.914 1.00 15.00 O ATOM 188 CG2 THR A 440 -2.120 -9.828 -7.231 1.00 15.00 C ATOM 0 H THR A 440 -3.379 -7.312 -8.321 1.00 15.00 H new ATOM 0 HA THR A 440 -1.659 -9.138 -9.799 1.00 15.00 H new ATOM 0 HB THR A 440 -3.131 -10.863 -8.801 1.00 15.00 H new ATOM 0 HG1 THR A 440 -5.080 -10.066 -8.348 1.00 15.00 H new ATOM 0 HG21 THR A 440 -2.447 -10.522 -6.457 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.133 -10.122 -7.589 1.00 15.00 H new ATOM 0 HG23 THR A 440 -2.071 -8.821 -6.818 1.00 15.00 H new ATOM 196 N ALA A 441 -3.284 -9.965 -11.585 1.00 15.00 N ATOM 197 CA ALA A 441 -4.033 -10.174 -12.819 1.00 15.00 C ATOM 198 C ALA A 441 -5.521 -10.426 -12.564 1.00 15.00 C ATOM 199 O ALA A 441 -6.362 -10.083 -13.393 1.00 15.00 O ATOM 200 CB ALA A 441 -3.433 -11.333 -13.603 1.00 15.00 C ATOM 0 H ALA A 441 -2.495 -10.601 -11.467 1.00 15.00 H new ATOM 0 HA ALA A 441 -3.957 -9.256 -13.402 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -3.999 -11.482 -14.523 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -2.395 -11.108 -13.848 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -3.475 -12.240 -13.000 1.00 15.00 H new ATOM 206 N ASP A 442 -5.842 -11.019 -11.419 1.00 15.00 N ATOM 207 CA ASP A 442 -7.231 -11.334 -11.089 1.00 15.00 C ATOM 208 C ASP A 442 -7.942 -10.141 -10.445 1.00 15.00 C ATOM 209 O ASP A 442 -9.118 -10.225 -10.087 1.00 15.00 O ATOM 210 CB ASP A 442 -7.326 -12.581 -10.194 1.00 15.00 C ATOM 211 CG ASP A 442 -6.595 -12.459 -8.868 1.00 15.00 C ATOM 212 OD1 ASP A 442 -5.768 -11.542 -8.708 1.00 15.00 O ATOM 213 OD2 ASP A 442 -6.835 -13.309 -7.982 1.00 15.00 O ATOM 0 H ASP A 442 -5.165 -11.291 -10.706 1.00 15.00 H new ATOM 0 HA ASP A 442 -7.742 -11.556 -12.026 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -8.377 -12.793 -9.997 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -6.925 -13.436 -10.739 1.00 15.00 H new ATOM 218 N GLY A 443 -7.230 -9.028 -10.318 1.00 15.00 N ATOM 219 CA GLY A 443 -7.856 -7.787 -9.900 1.00 15.00 C ATOM 220 C GLY A 443 -7.876 -7.590 -8.397 1.00 15.00 C ATOM 221 O GLY A 443 -8.925 -7.299 -7.819 1.00 15.00 O ATOM 0 H GLY A 443 -6.228 -8.962 -10.497 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -7.328 -6.951 -10.360 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -8.879 -7.763 -10.274 1.00 15.00 H new ATOM 225 N LYS A 444 -6.726 -7.743 -7.763 1.00 15.00 N ATOM 226 CA LYS A 444 -6.602 -7.507 -6.332 1.00 15.00 C ATOM 227 C LYS A 444 -5.480 -6.512 -6.064 1.00 15.00 C ATOM 228 O LYS A 444 -4.376 -6.645 -6.597 1.00 15.00 O ATOM 229 CB LYS A 444 -6.354 -8.831 -5.604 1.00 15.00 C ATOM 230 CG LYS A 444 -7.541 -9.777 -5.683 1.00 15.00 C ATOM 231 CD LYS A 444 -7.152 -11.207 -5.354 1.00 15.00 C ATOM 232 CE LYS A 444 -8.347 -12.138 -5.467 1.00 15.00 C ATOM 233 NZ LYS A 444 -7.936 -13.564 -5.537 1.00 15.00 N ATOM 0 H LYS A 444 -5.860 -8.031 -8.218 1.00 15.00 H new ATOM 0 HA LYS A 444 -7.531 -7.080 -5.953 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -5.478 -9.318 -6.033 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -6.126 -8.628 -4.558 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -8.316 -9.444 -4.993 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -7.969 -9.739 -6.685 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -6.364 -11.538 -6.031 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -6.745 -11.253 -4.344 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -9.003 -11.991 -4.609 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -8.923 -11.882 -6.356 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -8.744 -14.171 -5.292 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -7.616 -13.786 -6.501 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -7.159 -13.735 -4.867 1.00 15.00 H new ATOM 247 N THR A 445 -5.774 -5.513 -5.248 1.00 15.00 N ATOM 248 CA THR A 445 -4.830 -4.445 -4.973 1.00 15.00 C ATOM 249 C THR A 445 -4.336 -4.507 -3.533 1.00 15.00 C ATOM 250 O THR A 445 -5.136 -4.523 -2.597 1.00 15.00 O ATOM 251 CB THR A 445 -5.486 -3.072 -5.217 1.00 15.00 C ATOM 252 OG1 THR A 445 -6.184 -3.083 -6.469 1.00 15.00 O ATOM 253 CG2 THR A 445 -4.445 -1.961 -5.226 1.00 15.00 C ATOM 0 H THR A 445 -6.666 -5.420 -4.762 1.00 15.00 H new ATOM 0 HA THR A 445 -3.983 -4.574 -5.646 1.00 15.00 H new ATOM 0 HB THR A 445 -6.187 -2.882 -4.405 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.601 -2.209 -6.619 1.00 15.00 H new ATOM 0 HG21 THR A 445 -4.936 -1.004 -5.400 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.931 -1.936 -4.265 1.00 15.00 H new ATOM 0 HG23 THR A 445 -3.721 -2.147 -6.019 1.00 15.00 H new ATOM 261 N TYR A 446 -3.023 -4.550 -3.357 1.00 15.00 N ATOM 262 CA TYR A 446 -2.438 -4.494 -2.028 1.00 15.00 C ATOM 263 C TYR A 446 -1.214 -3.586 -2.032 1.00 15.00 C ATOM 264 O TYR A 446 -0.430 -3.580 -2.987 1.00 15.00 O ATOM 265 CB TYR A 446 -2.081 -5.899 -1.516 1.00 15.00 C ATOM 266 CG TYR A 446 -0.962 -6.595 -2.260 1.00 15.00 C ATOM 267 CD1 TYR A 446 -1.201 -7.280 -3.445 1.00 15.00 C ATOM 268 CD2 TYR A 446 0.334 -6.582 -1.760 1.00 15.00 C ATOM 269 CE1 TYR A 446 -0.180 -7.932 -4.109 1.00 15.00 C ATOM 270 CE2 TYR A 446 1.359 -7.228 -2.420 1.00 15.00 C ATOM 271 CZ TYR A 446 1.098 -7.901 -3.593 1.00 15.00 C ATOM 272 OH TYR A 446 2.120 -8.549 -4.250 1.00 15.00 O ATOM 0 H TYR A 446 -2.346 -4.623 -4.116 1.00 15.00 H new ATOM 0 HA TYR A 446 -3.178 -4.077 -1.345 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -1.804 -5.825 -0.464 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -2.973 -6.524 -1.568 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -2.201 -7.303 -3.853 1.00 15.00 H new ATOM 0 HD2 TYR A 446 0.543 -6.057 -0.839 1.00 15.00 H new ATOM 0 HE1 TYR A 446 -0.382 -8.463 -5.027 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.361 -7.206 -2.019 1.00 15.00 H new ATOM 0 HH TYR A 446 2.956 -8.428 -3.754 1.00 15.00 H new ATOM 282 N TYR A 447 -1.062 -2.820 -0.965 1.00 15.00 N ATOM 283 CA TYR A 447 0.048 -1.897 -0.827 1.00 15.00 C ATOM 284 C TYR A 447 1.161 -2.523 -0.001 1.00 15.00 C ATOM 285 O TYR A 447 0.955 -2.905 1.154 1.00 15.00 O ATOM 286 CB TYR A 447 -0.415 -0.595 -0.174 1.00 15.00 C ATOM 287 CG TYR A 447 -1.338 0.231 -1.041 1.00 15.00 C ATOM 288 CD1 TYR A 447 -2.714 0.057 -0.989 1.00 15.00 C ATOM 289 CD2 TYR A 447 -0.829 1.191 -1.907 1.00 15.00 C ATOM 290 CE1 TYR A 447 -3.559 0.814 -1.779 1.00 15.00 C ATOM 291 CE2 TYR A 447 -1.667 1.953 -2.698 1.00 15.00 C ATOM 292 CZ TYR A 447 -3.030 1.762 -2.631 1.00 15.00 C ATOM 293 OH TYR A 447 -3.866 2.520 -3.418 1.00 15.00 O ATOM 0 H TYR A 447 -1.704 -2.821 -0.172 1.00 15.00 H new ATOM 0 HA TYR A 447 0.431 -1.674 -1.823 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -0.924 -0.830 0.761 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.460 0.003 0.081 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.131 -0.682 -0.321 1.00 15.00 H new ATOM 0 HD2 TYR A 447 0.239 1.344 -1.963 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -4.627 0.664 -1.730 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -1.256 2.695 -3.366 1.00 15.00 H new ATOM 0 HH TYR A 447 -3.333 3.140 -3.958 1.00 15.00 H new ATOM 303 N TYR A 448 2.332 -2.634 -0.601 1.00 15.00 N ATOM 304 CA TYR A 448 3.490 -3.188 0.079 1.00 15.00 C ATOM 305 C TYR A 448 4.376 -2.054 0.577 1.00 15.00 C ATOM 306 O TYR A 448 4.879 -1.252 -0.213 1.00 15.00 O ATOM 307 CB TYR A 448 4.266 -4.104 -0.872 1.00 15.00 C ATOM 308 CG TYR A 448 5.368 -4.912 -0.217 1.00 15.00 C ATOM 309 CD1 TYR A 448 5.072 -6.032 0.550 1.00 15.00 C ATOM 310 CD2 TYR A 448 6.704 -4.567 -0.384 1.00 15.00 C ATOM 311 CE1 TYR A 448 6.075 -6.785 1.132 1.00 15.00 C ATOM 312 CE2 TYR A 448 7.712 -5.314 0.198 1.00 15.00 C ATOM 313 CZ TYR A 448 7.393 -6.422 0.954 1.00 15.00 C ATOM 314 OH TYR A 448 8.395 -7.176 1.525 1.00 15.00 O ATOM 0 H TYR A 448 2.507 -2.346 -1.564 1.00 15.00 H new ATOM 0 HA TYR A 448 3.163 -3.780 0.934 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.564 -4.790 -1.346 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.702 -3.496 -1.664 1.00 15.00 H new ATOM 0 HD1 TYR A 448 4.041 -6.319 0.694 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.959 -3.702 -0.978 1.00 15.00 H new ATOM 0 HE1 TYR A 448 5.827 -7.654 1.724 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.745 -5.030 0.061 1.00 15.00 H new ATOM 0 HH TYR A 448 9.266 -6.785 1.302 1.00 15.00 H new ATOM 324 N ASN A 449 4.538 -1.977 1.888 1.00 15.00 N ATOM 325 CA ASN A 449 5.353 -0.938 2.502 1.00 15.00 C ATOM 326 C ASN A 449 6.677 -1.521 2.976 1.00 15.00 C ATOM 327 O ASN A 449 6.702 -2.357 3.879 1.00 15.00 O ATOM 328 CB ASN A 449 4.591 -0.308 3.672 1.00 15.00 C ATOM 329 CG ASN A 449 5.401 0.727 4.428 1.00 15.00 C ATOM 330 OD1 ASN A 449 6.102 0.404 5.387 1.00 15.00 O ATOM 331 ND2 ASN A 449 5.309 1.976 4.010 1.00 15.00 N ATOM 0 H ASN A 449 4.114 -2.625 2.552 1.00 15.00 H new ATOM 0 HA ASN A 449 5.565 -0.164 1.764 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.681 0.158 3.295 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.284 -1.094 4.362 1.00 15.00 H new ATOM 0 HD21 ASN A 449 5.830 2.713 4.486 1.00 15.00 H new ATOM 0 HD22 ASN A 449 4.717 2.204 3.211 1.00 15.00 H new ATOM 338 N ASN A 450 7.774 -1.075 2.373 1.00 15.00 N ATOM 339 CA ASN A 450 9.093 -1.633 2.667 1.00 15.00 C ATOM 340 C ASN A 450 9.628 -1.065 3.973 1.00 15.00 C ATOM 341 O ASN A 450 10.452 -1.686 4.646 1.00 15.00 O ATOM 342 CB ASN A 450 10.089 -1.325 1.541 1.00 15.00 C ATOM 343 CG ASN A 450 9.491 -1.487 0.157 1.00 15.00 C ATOM 344 OD1 ASN A 450 9.530 -2.568 -0.433 1.00 15.00 O ATOM 345 ND2 ASN A 450 8.937 -0.406 -0.374 1.00 15.00 N ATOM 0 H ASN A 450 7.778 -0.329 1.678 1.00 15.00 H new ATOM 0 HA ASN A 450 8.982 -2.714 2.753 1.00 15.00 H new ATOM 0 HB2 ASN A 450 10.453 -0.304 1.656 1.00 15.00 H new ATOM 0 HB3 ASN A 450 10.952 -1.984 1.637 1.00 15.00 H new ATOM 0 HD21 ASN A 450 8.522 -0.450 -1.305 1.00 15.00 H new ATOM 0 HD22 ASN A 450 8.926 0.470 0.148 1.00 15.00 H new ATOM 352 N ARG A 451 9.175 0.140 4.301 1.00 15.00 N ATOM 353 CA ARG A 451 9.572 0.825 5.529 1.00 15.00 C ATOM 354 C ARG A 451 9.330 -0.054 6.752 1.00 15.00 C ATOM 355 O ARG A 451 10.198 -0.195 7.617 1.00 15.00 O ATOM 356 CB ARG A 451 8.778 2.129 5.672 1.00 15.00 C ATOM 357 CG ARG A 451 9.127 2.950 6.903 1.00 15.00 C ATOM 358 CD ARG A 451 8.122 4.074 7.120 1.00 15.00 C ATOM 359 NE ARG A 451 6.796 3.567 7.496 1.00 15.00 N ATOM 360 CZ ARG A 451 5.647 4.220 7.276 1.00 15.00 C ATOM 361 NH1 ARG A 451 5.643 5.389 6.645 1.00 15.00 N ATOM 362 NH2 ARG A 451 4.496 3.699 7.688 1.00 15.00 N ATOM 0 H ARG A 451 8.522 0.671 3.724 1.00 15.00 H new ATOM 0 HA ARG A 451 10.638 1.044 5.468 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.945 2.740 4.785 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.715 1.891 5.700 1.00 15.00 H new ATOM 0 HG2 ARG A 451 9.148 2.303 7.780 1.00 15.00 H new ATOM 0 HG3 ARG A 451 10.127 3.369 6.792 1.00 15.00 H new ATOM 0 HD2 ARG A 451 8.489 4.741 7.900 1.00 15.00 H new ATOM 0 HD3 ARG A 451 8.038 4.665 6.208 1.00 15.00 H new ATOM 0 HE ARG A 451 6.747 2.657 7.955 1.00 15.00 H new ATOM 0 HH11 ARG A 451 6.520 5.798 6.323 1.00 15.00 H new ATOM 0 HH12 ARG A 451 4.763 5.878 6.483 1.00 15.00 H new ATOM 0 HH21 ARG A 451 4.487 2.801 8.172 1.00 15.00 H new ATOM 0 HH22 ARG A 451 3.622 4.197 7.520 1.00 15.00 H new ATOM 376 N THR A 452 8.144 -0.636 6.814 1.00 15.00 N ATOM 377 CA THR A 452 7.731 -1.406 7.973 1.00 15.00 C ATOM 378 C THR A 452 7.616 -2.894 7.634 1.00 15.00 C ATOM 379 O THR A 452 7.438 -3.727 8.525 1.00 15.00 O ATOM 380 CB THR A 452 6.375 -0.891 8.489 1.00 15.00 C ATOM 381 OG1 THR A 452 6.221 0.493 8.133 1.00 15.00 O ATOM 382 CG2 THR A 452 6.272 -1.040 10.000 1.00 15.00 C ATOM 0 H THR A 452 7.448 -0.589 6.070 1.00 15.00 H new ATOM 0 HA THR A 452 8.489 -1.285 8.747 1.00 15.00 H new ATOM 0 HB THR A 452 5.585 -1.485 8.030 1.00 15.00 H new ATOM 0 HG1 THR A 452 6.073 0.568 7.167 1.00 15.00 H new ATOM 0 HG21 THR A 452 5.304 -0.668 10.337 1.00 15.00 H new ATOM 0 HG22 THR A 452 6.371 -2.092 10.270 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.067 -0.467 10.477 1.00 15.00 H new ATOM 390 N LEU A 453 7.729 -3.209 6.338 1.00 15.00 N ATOM 391 CA LEU A 453 7.580 -4.580 5.832 1.00 15.00 C ATOM 392 C LEU A 453 6.139 -5.063 5.995 1.00 15.00 C ATOM 393 O LEU A 453 5.865 -6.264 6.009 1.00 15.00 O ATOM 394 CB LEU A 453 8.550 -5.536 6.538 1.00 15.00 C ATOM 395 CG LEU A 453 10.036 -5.245 6.312 1.00 15.00 C ATOM 396 CD1 LEU A 453 10.896 -6.278 7.026 1.00 15.00 C ATOM 397 CD2 LEU A 453 10.356 -5.224 4.825 1.00 15.00 C ATOM 0 H LEU A 453 7.926 -2.522 5.611 1.00 15.00 H new ATOM 0 HA LEU A 453 7.824 -4.573 4.770 1.00 15.00 H new ATOM 0 HB2 LEU A 453 8.349 -5.505 7.609 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.341 -6.552 6.204 1.00 15.00 H new ATOM 0 HG LEU A 453 10.260 -4.262 6.727 1.00 15.00 H new ATOM 0 HD11 LEU A 453 11.949 -6.056 6.855 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.688 -6.248 8.096 1.00 15.00 H new ATOM 0 HD13 LEU A 453 10.667 -7.271 6.640 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.417 -5.016 4.684 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.115 -6.193 4.387 1.00 15.00 H new ATOM 0 HD23 LEU A 453 9.766 -4.448 4.337 1.00 15.00 H new ATOM 409 N GLU A 454 5.215 -4.117 6.046 1.00 15.00 N ATOM 410 CA GLU A 454 3.810 -4.430 6.267 1.00 15.00 C ATOM 411 C GLU A 454 3.031 -4.369 4.958 1.00 15.00 C ATOM 412 O GLU A 454 3.199 -3.440 4.166 1.00 15.00 O ATOM 413 CB GLU A 454 3.202 -3.457 7.277 1.00 15.00 C ATOM 414 CG GLU A 454 3.777 -3.587 8.678 1.00 15.00 C ATOM 415 CD GLU A 454 3.526 -4.950 9.294 1.00 15.00 C ATOM 416 OE1 GLU A 454 2.406 -5.189 9.792 1.00 15.00 O ATOM 417 OE2 GLU A 454 4.452 -5.786 9.294 1.00 15.00 O ATOM 0 H GLU A 454 5.413 -3.122 5.937 1.00 15.00 H new ATOM 0 HA GLU A 454 3.746 -5.443 6.664 1.00 15.00 H new ATOM 0 HB2 GLU A 454 3.357 -2.438 6.924 1.00 15.00 H new ATOM 0 HB3 GLU A 454 2.125 -3.619 7.320 1.00 15.00 H new ATOM 0 HG2 GLU A 454 4.851 -3.401 8.643 1.00 15.00 H new ATOM 0 HG3 GLU A 454 3.341 -2.819 9.317 1.00 15.00 H new ATOM 424 N SER A 455 2.175 -5.357 4.747 1.00 15.00 N ATOM 425 CA SER A 455 1.328 -5.402 3.566 1.00 15.00 C ATOM 426 C SER A 455 -0.124 -5.127 3.949 1.00 15.00 C ATOM 427 O SER A 455 -0.697 -5.829 4.784 1.00 15.00 O ATOM 428 CB SER A 455 1.440 -6.772 2.899 1.00 15.00 C ATOM 429 OG SER A 455 2.796 -7.113 2.672 1.00 15.00 O ATOM 0 H SER A 455 2.049 -6.144 5.384 1.00 15.00 H new ATOM 0 HA SER A 455 1.658 -4.635 2.865 1.00 15.00 H new ATOM 0 HB2 SER A 455 0.971 -7.528 3.529 1.00 15.00 H new ATOM 0 HB3 SER A 455 0.899 -6.766 1.953 1.00 15.00 H new ATOM 0 HG SER A 455 2.845 -7.994 2.246 1.00 15.00 H new ATOM 435 N TYR A 456 -0.710 -4.102 3.349 1.00 15.00 N ATOM 436 CA TYR A 456 -2.098 -3.753 3.622 1.00 15.00 C ATOM 437 C TYR A 456 -2.934 -3.877 2.358 1.00 15.00 C ATOM 438 O TYR A 456 -2.585 -3.325 1.318 1.00 15.00 O ATOM 439 CB TYR A 456 -2.208 -2.330 4.182 1.00 15.00 C ATOM 440 CG TYR A 456 -1.586 -2.158 5.551 1.00 15.00 C ATOM 441 CD1 TYR A 456 -1.742 -3.128 6.532 1.00 15.00 C ATOM 442 CD2 TYR A 456 -0.852 -1.021 5.863 1.00 15.00 C ATOM 443 CE1 TYR A 456 -1.179 -2.975 7.784 1.00 15.00 C ATOM 444 CE2 TYR A 456 -0.285 -0.861 7.114 1.00 15.00 C ATOM 445 CZ TYR A 456 -0.452 -1.840 8.070 1.00 15.00 C ATOM 446 OH TYR A 456 0.107 -1.683 9.318 1.00 15.00 O ATOM 0 H TYR A 456 -0.247 -3.497 2.670 1.00 15.00 H new ATOM 0 HA TYR A 456 -2.477 -4.449 4.371 1.00 15.00 H new ATOM 0 HB2 TYR A 456 -1.730 -1.639 3.488 1.00 15.00 H new ATOM 0 HB3 TYR A 456 -3.261 -2.052 4.235 1.00 15.00 H new ATOM 0 HD1 TYR A 456 -2.314 -4.018 6.312 1.00 15.00 H new ATOM 0 HD2 TYR A 456 -0.722 -0.250 5.118 1.00 15.00 H new ATOM 0 HE1 TYR A 456 -1.308 -3.741 8.535 1.00 15.00 H new ATOM 0 HE2 TYR A 456 0.286 0.027 7.341 1.00 15.00 H new ATOM 0 HH TYR A 456 0.588 -0.830 9.356 1.00 15.00 H new ATOM 456 N TRP A 457 -4.049 -4.584 2.461 1.00 15.00 N ATOM 457 CA TRP A 457 -4.930 -4.793 1.319 1.00 15.00 C ATOM 458 C TRP A 457 -5.910 -3.635 1.188 1.00 15.00 C ATOM 459 O TRP A 457 -6.754 -3.613 0.293 1.00 15.00 O ATOM 460 CB TRP A 457 -5.677 -6.120 1.460 1.00 15.00 C ATOM 461 CG TRP A 457 -4.765 -7.309 1.413 1.00 15.00 C ATOM 462 CD1 TRP A 457 -4.042 -7.829 2.449 1.00 15.00 C ATOM 463 CD2 TRP A 457 -4.473 -8.121 0.270 1.00 15.00 C ATOM 464 NE1 TRP A 457 -3.313 -8.910 2.019 1.00 15.00 N ATOM 465 CE2 TRP A 457 -3.562 -9.111 0.685 1.00 15.00 C ATOM 466 CE3 TRP A 457 -4.892 -8.107 -1.064 1.00 15.00 C ATOM 467 CZ2 TRP A 457 -3.064 -10.076 -0.186 1.00 15.00 C ATOM 468 CZ3 TRP A 457 -4.397 -9.066 -1.928 1.00 15.00 C ATOM 469 CH2 TRP A 457 -3.492 -10.039 -1.486 1.00 15.00 C ATOM 0 H TRP A 457 -4.367 -5.024 3.325 1.00 15.00 H new ATOM 0 HA TRP A 457 -4.325 -4.835 0.413 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -6.224 -6.125 2.403 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -6.415 -6.203 0.662 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -4.044 -7.446 3.459 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -2.688 -9.472 2.597 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -5.590 -7.360 -1.413 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -2.365 -10.827 0.152 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -4.713 -9.065 -2.961 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -3.124 -10.775 -2.185 1.00 15.00 H new ATOM 480 N GLU A 458 -5.789 -2.676 2.092 1.00 15.00 N ATOM 481 CA GLU A 458 -6.571 -1.457 2.027 1.00 15.00 C ATOM 482 C GLU A 458 -5.644 -0.258 2.164 1.00 15.00 C ATOM 483 O GLU A 458 -4.610 -0.334 2.832 1.00 15.00 O ATOM 484 CB GLU A 458 -7.646 -1.439 3.118 1.00 15.00 C ATOM 485 CG GLU A 458 -8.594 -0.250 3.021 1.00 15.00 C ATOM 486 CD GLU A 458 -9.269 -0.141 1.664 1.00 15.00 C ATOM 487 OE1 GLU A 458 -8.692 0.493 0.753 1.00 15.00 O ATOM 488 OE2 GLU A 458 -10.386 -0.678 1.509 1.00 15.00 O ATOM 0 H GLU A 458 -5.150 -2.722 2.886 1.00 15.00 H new ATOM 0 HA GLU A 458 -7.079 -1.410 1.064 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -8.225 -2.360 3.061 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -7.161 -1.428 4.094 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -9.357 -0.336 3.795 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -8.040 0.667 3.220 1.00 15.00 H new ATOM 495 N LYS A 459 -6.037 0.841 1.543 1.00 15.00 N ATOM 496 CA LYS A 459 -5.215 2.041 1.464 1.00 15.00 C ATOM 497 C LYS A 459 -4.886 2.597 2.847 1.00 15.00 C ATOM 498 O LYS A 459 -5.781 2.837 3.664 1.00 15.00 O ATOM 499 CB LYS A 459 -5.947 3.100 0.649 1.00 15.00 C ATOM 500 CG LYS A 459 -6.609 2.534 -0.590 1.00 15.00 C ATOM 501 CD LYS A 459 -7.473 3.563 -1.286 1.00 15.00 C ATOM 502 CE LYS A 459 -8.515 2.891 -2.162 1.00 15.00 C ATOM 503 NZ LYS A 459 -9.490 2.108 -1.353 1.00 15.00 N ATOM 0 H LYS A 459 -6.940 0.928 1.076 1.00 15.00 H new ATOM 0 HA LYS A 459 -4.275 1.774 0.982 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -6.703 3.575 1.274 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -5.242 3.878 0.355 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -5.844 2.176 -1.279 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -7.219 1.673 -0.315 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -7.966 4.192 -0.544 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -6.848 4.217 -1.894 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -9.046 3.646 -2.741 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -8.021 2.231 -2.875 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -10.279 1.804 -1.959 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -9.018 1.271 -0.954 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -9.855 2.701 -0.580 1.00 15.00 H new ATOM 517 N PRO A 460 -3.592 2.811 3.117 1.00 15.00 N ATOM 518 CA PRO A 460 -3.128 3.435 4.359 1.00 15.00 C ATOM 519 C PRO A 460 -3.554 4.899 4.440 1.00 15.00 C ATOM 520 O PRO A 460 -3.618 5.588 3.420 1.00 15.00 O ATOM 521 CB PRO A 460 -1.603 3.337 4.252 1.00 15.00 C ATOM 522 CG PRO A 460 -1.335 3.250 2.789 1.00 15.00 C ATOM 523 CD PRO A 460 -2.474 2.461 2.222 1.00 15.00 C ATOM 0 HA PRO A 460 -3.539 2.953 5.246 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.118 4.208 4.693 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -1.224 2.460 4.778 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.282 4.242 2.340 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.381 2.760 2.593 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -2.682 2.737 1.188 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -2.269 1.391 2.231 1.00 15.00 H new ATOM 531 N GLN A 461 -3.806 5.387 5.649 1.00 15.00 N ATOM 532 CA GLN A 461 -4.231 6.771 5.830 1.00 15.00 C ATOM 533 C GLN A 461 -3.100 7.739 5.474 1.00 15.00 C ATOM 534 O GLN A 461 -3.317 8.943 5.337 1.00 15.00 O ATOM 535 CB GLN A 461 -4.717 7.009 7.263 1.00 15.00 C ATOM 536 CG GLN A 461 -5.363 8.371 7.458 1.00 15.00 C ATOM 537 CD GLN A 461 -5.915 8.581 8.854 1.00 15.00 C ATOM 538 OE1 GLN A 461 -5.404 8.033 9.830 1.00 15.00 O ATOM 539 NE2 GLN A 461 -6.958 9.387 8.953 1.00 15.00 N ATOM 0 H GLN A 461 -3.725 4.850 6.513 1.00 15.00 H new ATOM 0 HA GLN A 461 -5.064 6.959 5.153 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -5.434 6.233 7.530 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -3.873 6.913 7.947 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -4.628 9.147 7.245 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -6.170 8.489 6.735 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -7.349 9.820 8.116 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -7.372 9.576 9.866 1.00 15.00 H new ATOM 548 N GLU A 462 -1.889 7.207 5.326 1.00 15.00 N ATOM 549 CA GLU A 462 -0.753 8.005 4.874 1.00 15.00 C ATOM 550 C GLU A 462 -0.934 8.420 3.417 1.00 15.00 C ATOM 551 O GLU A 462 -0.345 9.401 2.963 1.00 15.00 O ATOM 552 CB GLU A 462 0.560 7.232 5.017 1.00 15.00 C ATOM 553 CG GLU A 462 1.016 7.028 6.452 1.00 15.00 C ATOM 554 CD GLU A 462 2.322 6.259 6.532 1.00 15.00 C ATOM 555 OE1 GLU A 462 3.283 6.626 5.814 1.00 15.00 O ATOM 556 OE2 GLU A 462 2.397 5.286 7.306 1.00 15.00 O ATOM 0 H GLU A 462 -1.670 6.228 5.512 1.00 15.00 H new ATOM 0 HA GLU A 462 -0.709 8.894 5.503 1.00 15.00 H new ATOM 0 HB2 GLU A 462 0.447 6.257 4.543 1.00 15.00 H new ATOM 0 HB3 GLU A 462 1.341 7.763 4.473 1.00 15.00 H new ATOM 0 HG2 GLU A 462 1.137 7.998 6.935 1.00 15.00 H new ATOM 0 HG3 GLU A 462 0.245 6.491 7.004 1.00 15.00 H new ATOM 563 N LEU A 463 -1.739 7.654 2.692 1.00 15.00 N ATOM 564 CA LEU A 463 -1.954 7.891 1.274 1.00 15.00 C ATOM 565 C LEU A 463 -3.134 8.830 1.057 1.00 15.00 C ATOM 566 O LEU A 463 -3.039 9.781 0.280 1.00 15.00 O ATOM 567 CB LEU A 463 -2.193 6.561 0.556 1.00 15.00 C ATOM 568 CG LEU A 463 -2.418 6.652 -0.953 1.00 15.00 C ATOM 569 CD1 LEU A 463 -1.211 7.275 -1.638 1.00 15.00 C ATOM 570 CD2 LEU A 463 -2.703 5.271 -1.521 1.00 15.00 C ATOM 0 H LEU A 463 -2.256 6.859 3.067 1.00 15.00 H new ATOM 0 HA LEU A 463 -1.064 8.364 0.860 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -1.336 5.912 0.738 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -3.060 6.078 1.005 1.00 15.00 H new ATOM 0 HG LEU A 463 -3.281 7.292 -1.140 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -1.391 7.331 -2.712 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -1.047 8.278 -1.245 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -0.329 6.663 -1.449 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -2.862 5.346 -2.597 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -1.855 4.615 -1.324 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -3.596 4.861 -1.050 1.00 15.00 H new ATOM 582 N LYS A 464 -4.241 8.541 1.746 1.00 15.00 N ATOM 583 CA LYS A 464 -5.457 9.349 1.664 1.00 15.00 C ATOM 584 C LYS A 464 -6.057 9.245 0.258 1.00 15.00 C ATOM 585 O LYS A 464 -5.643 10.013 -0.639 1.00 15.00 O ATOM 586 CB LYS A 464 -5.155 10.811 2.056 1.00 15.00 C ATOM 587 CG LYS A 464 -6.384 11.673 2.345 1.00 15.00 C ATOM 588 CD LYS A 464 -7.117 12.113 1.080 1.00 15.00 C ATOM 589 CE LYS A 464 -6.322 13.126 0.259 1.00 15.00 C ATOM 590 NZ LYS A 464 -5.105 12.537 -0.362 1.00 15.00 N ATOM 591 OXT LYS A 464 -6.924 8.376 0.047 1.00 15.00 O ATOM 0 H LYS A 464 -4.318 7.742 2.375 1.00 15.00 H new ATOM 0 HA LYS A 464 -6.196 8.969 2.370 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -4.516 10.809 2.939 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -4.585 11.276 1.251 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -7.071 11.114 2.980 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -6.078 12.556 2.906 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -7.328 11.238 0.465 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -8.078 12.548 1.355 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -6.962 13.535 -0.523 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -6.031 13.958 0.900 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -5.045 12.833 -1.357 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -4.261 12.866 0.148 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -5.157 11.500 -0.312 1.00 15.00 H new TER 605 LYS A 464