USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 270 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 82:sc= 0.794 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ -165:sc= -0.017 (180deg=-0.184) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.06) 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 -154:sc= 1.01 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 449 ASN : amide:sc= -2.03 K(o=-2,f=-11!) USER MOD Single : A 450 ASN : amide:sc= 0.0377 K(o=0.038,f=-3.4!) USER MOD Single : A 452 THR OG1 : rot -113:sc= 1.22 USER MOD Single : A 455 SER OG : rot 70:sc= -2.18! USER MOD Single : A 456 THR OG1 : rot -110:sc= 0.843 USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 464 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00663) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 431 -8.019 8.426 -1.772 1.00 15.00 N ATOM 2 CA ALA A 431 -7.499 7.125 -1.373 1.00 15.00 C ATOM 3 C ALA A 431 -8.250 5.995 -2.067 1.00 15.00 C ATOM 4 O ALA A 431 -9.426 5.752 -1.792 1.00 15.00 O ATOM 5 CB ALA A 431 -7.581 6.962 0.137 1.00 15.00 C ATOM 0 HA ALA A 431 -6.454 7.074 -1.678 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -7.189 5.985 0.419 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -6.993 7.742 0.620 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -8.620 7.042 0.456 1.00 15.00 H new ATOM 11 N VAL A 432 -7.570 5.325 -2.986 1.00 15.00 N ATOM 12 CA VAL A 432 -8.136 4.171 -3.668 1.00 15.00 C ATOM 13 C VAL A 432 -7.841 2.898 -2.883 1.00 15.00 C ATOM 14 O VAL A 432 -6.952 2.876 -2.030 1.00 15.00 O ATOM 15 CB VAL A 432 -7.591 4.034 -5.107 1.00 15.00 C ATOM 16 CG1 VAL A 432 -8.064 5.194 -5.969 1.00 15.00 C ATOM 17 CG2 VAL A 432 -6.070 3.955 -5.107 1.00 15.00 C ATOM 0 H VAL A 432 -6.622 5.562 -3.277 1.00 15.00 H new ATOM 0 HA VAL A 432 -9.214 4.322 -3.728 1.00 15.00 H new ATOM 0 HB VAL A 432 -7.979 3.107 -5.530 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -7.670 5.081 -6.979 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -9.153 5.202 -6.003 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -7.708 6.132 -5.544 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -5.711 3.859 -6.132 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -5.659 4.861 -4.662 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -5.751 3.089 -4.528 1.00 15.00 H new ATOM 27 N SER A 433 -8.583 1.845 -3.169 1.00 15.00 N ATOM 28 CA SER A 433 -8.433 0.590 -2.451 1.00 15.00 C ATOM 29 C SER A 433 -7.506 -0.360 -3.206 1.00 15.00 C ATOM 30 O SER A 433 -7.375 -1.534 -2.853 1.00 15.00 O ATOM 31 CB SER A 433 -9.810 -0.039 -2.235 1.00 15.00 C ATOM 32 OG SER A 433 -10.664 0.865 -1.546 1.00 15.00 O ATOM 0 H SER A 433 -9.299 1.832 -3.896 1.00 15.00 H new ATOM 0 HA SER A 433 -7.978 0.785 -1.480 1.00 15.00 H new ATOM 0 HB2 SER A 433 -10.250 -0.305 -3.196 1.00 15.00 H new ATOM 0 HB3 SER A 433 -9.710 -0.962 -1.664 1.00 15.00 H new ATOM 0 HG SER A 433 -11.542 0.450 -1.416 1.00 15.00 H new ATOM 38 N GLU A 434 -6.835 0.174 -4.225 1.00 15.00 N ATOM 39 CA GLU A 434 -5.872 -0.596 -5.004 1.00 15.00 C ATOM 40 C GLU A 434 -4.601 -0.843 -4.198 1.00 15.00 C ATOM 41 O GLU A 434 -3.778 -1.689 -4.553 1.00 15.00 O ATOM 42 CB GLU A 434 -5.517 0.139 -6.297 1.00 15.00 C ATOM 43 CG GLU A 434 -6.714 0.463 -7.171 1.00 15.00 C ATOM 44 CD GLU A 434 -6.307 1.100 -8.482 1.00 15.00 C ATOM 45 OE1 GLU A 434 -5.790 0.376 -9.358 1.00 15.00 O ATOM 46 OE2 GLU A 434 -6.494 2.323 -8.646 1.00 15.00 O1- ATOM 0 H GLU A 434 -6.943 1.141 -4.530 1.00 15.00 H new ATOM 0 HA GLU A 434 -6.330 -1.554 -5.250 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -5.002 1.066 -6.046 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -4.817 -0.470 -6.869 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -7.274 -0.451 -7.371 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -7.383 1.136 -6.634 1.00 15.00 H new ATOM 53 N TRP A 435 -4.440 -0.076 -3.130 1.00 15.00 N ATOM 54 CA TRP A 435 -3.267 -0.173 -2.278 1.00 15.00 C ATOM 55 C TRP A 435 -3.710 -0.438 -0.843 1.00 15.00 C ATOM 56 O TRP A 435 -4.340 0.416 -0.216 1.00 15.00 O ATOM 57 CB TRP A 435 -2.442 1.118 -2.361 1.00 15.00 C ATOM 58 CG TRP A 435 -2.189 1.573 -3.772 1.00 15.00 C ATOM 59 CD1 TRP A 435 -2.876 2.531 -4.462 1.00 15.00 C ATOM 60 CD2 TRP A 435 -1.190 1.077 -4.671 1.00 15.00 C ATOM 61 NE1 TRP A 435 -2.364 2.661 -5.727 1.00 15.00 N ATOM 62 CE2 TRP A 435 -1.328 1.784 -5.879 1.00 15.00 C ATOM 63 CE3 TRP A 435 -0.189 0.113 -4.571 1.00 15.00 C ATOM 64 CZ2 TRP A 435 -0.510 1.551 -6.977 1.00 15.00 C ATOM 65 CZ3 TRP A 435 0.622 -0.119 -5.667 1.00 15.00 C ATOM 66 CH2 TRP A 435 0.458 0.597 -6.854 1.00 15.00 C ATOM 0 H TRP A 435 -5.116 0.627 -2.832 1.00 15.00 H new ATOM 0 HA TRP A 435 -2.638 -0.997 -2.615 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -2.962 1.908 -1.819 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -1.487 0.963 -1.860 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -3.703 3.103 -4.068 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -2.702 3.308 -6.439 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -0.049 -0.442 -3.655 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -0.636 2.105 -7.895 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.397 -0.868 -5.603 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.109 0.392 -7.691 1.00 15.00 H new ATOM 77 N THR A 436 -3.408 -1.625 -0.336 1.00 15.00 N ATOM 78 CA THR A 436 -3.895 -2.035 0.971 1.00 15.00 C ATOM 79 C THR A 436 -2.919 -1.642 2.080 1.00 15.00 C ATOM 80 O THR A 436 -1.706 -1.813 1.946 1.00 15.00 O ATOM 81 CB THR A 436 -4.132 -3.556 1.019 1.00 15.00 C ATOM 82 OG1 THR A 436 -4.632 -4.014 -0.247 1.00 15.00 O ATOM 83 CG2 THR A 436 -5.131 -3.910 2.110 1.00 15.00 C ATOM 0 H THR A 436 -2.829 -2.319 -0.810 1.00 15.00 H new ATOM 0 HA THR A 436 -4.840 -1.518 1.135 1.00 15.00 H new ATOM 0 HB THR A 436 -3.182 -4.043 1.237 1.00 15.00 H new ATOM 0 HG1 THR A 436 -3.884 -4.138 -0.869 1.00 15.00 H new ATOM 0 HG21 THR A 436 -5.284 -4.989 2.127 1.00 15.00 H new ATOM 0 HG22 THR A 436 -4.746 -3.583 3.076 1.00 15.00 H new ATOM 0 HG23 THR A 436 -6.080 -3.412 1.910 1.00 15.00 H new ATOM 91 N GLU A 437 -3.467 -1.131 3.175 1.00 15.00 N ATOM 92 CA GLU A 437 -2.675 -0.662 4.308 1.00 15.00 C ATOM 93 C GLU A 437 -2.438 -1.794 5.310 1.00 15.00 C ATOM 94 O GLU A 437 -3.363 -2.223 6.005 1.00 15.00 O ATOM 95 CB GLU A 437 -3.420 0.491 4.994 1.00 15.00 C ATOM 96 CG GLU A 437 -2.748 1.043 6.243 1.00 15.00 C ATOM 97 CD GLU A 437 -1.773 2.163 5.950 1.00 15.00 C ATOM 98 OE1 GLU A 437 -2.166 3.143 5.284 1.00 15.00 O ATOM 99 OE2 GLU A 437 -0.624 2.093 6.421 1.00 15.00 O1- ATOM 0 H GLU A 437 -4.474 -1.029 3.304 1.00 15.00 H new ATOM 0 HA GLU A 437 -1.706 -0.318 3.947 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -3.540 1.303 4.277 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -4.420 0.149 5.260 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -3.513 1.406 6.929 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -2.221 0.235 6.752 1.00 15.00 H new ATOM 106 N TYR A 438 -1.213 -2.307 5.354 1.00 15.00 N ATOM 107 CA TYR A 438 -0.849 -3.318 6.339 1.00 15.00 C ATOM 108 C TYR A 438 0.390 -2.892 7.112 1.00 15.00 C ATOM 109 O TYR A 438 1.468 -2.747 6.546 1.00 15.00 O ATOM 110 CB TYR A 438 -0.607 -4.679 5.681 1.00 15.00 C ATOM 111 CG TYR A 438 -1.865 -5.405 5.266 1.00 15.00 C ATOM 112 CD1 TYR A 438 -2.811 -5.783 6.210 1.00 15.00 C ATOM 113 CD2 TYR A 438 -2.103 -5.719 3.936 1.00 15.00 C ATOM 114 CE1 TYR A 438 -3.962 -6.452 5.839 1.00 15.00 C ATOM 115 CE2 TYR A 438 -3.251 -6.388 3.556 1.00 15.00 C ATOM 116 CZ TYR A 438 -4.178 -6.753 4.511 1.00 15.00 C ATOM 117 OH TYR A 438 -5.326 -7.419 4.138 1.00 15.00 O ATOM 0 H TYR A 438 -0.458 -2.040 4.722 1.00 15.00 H new ATOM 0 HA TYR A 438 -1.686 -3.416 7.031 1.00 15.00 H new ATOM 0 HB2 TYR A 438 0.022 -4.537 4.802 1.00 15.00 H new ATOM 0 HB3 TYR A 438 -0.050 -5.310 6.374 1.00 15.00 H new ATOM 0 HD1 TYR A 438 -2.644 -5.550 7.251 1.00 15.00 H new ATOM 0 HD2 TYR A 438 -1.380 -5.436 3.186 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -4.688 -6.738 6.585 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -3.422 -6.624 2.516 1.00 15.00 H new ATOM 0 HH TYR A 438 -5.326 -7.553 3.167 1.00 15.00 H new ATOM 127 N LYS A 439 0.228 -2.683 8.404 1.00 15.00 N ATOM 128 CA LYS A 439 1.341 -2.298 9.260 1.00 15.00 C ATOM 129 C LYS A 439 1.714 -3.440 10.199 1.00 15.00 C ATOM 130 O LYS A 439 0.857 -3.981 10.899 1.00 15.00 O ATOM 131 CB LYS A 439 0.970 -1.049 10.068 1.00 15.00 C ATOM 132 CG LYS A 439 2.038 -0.614 11.056 1.00 15.00 C ATOM 133 CD LYS A 439 1.588 0.591 11.864 1.00 15.00 C ATOM 134 CE LYS A 439 2.584 0.931 12.956 1.00 15.00 C ATOM 135 NZ LYS A 439 2.619 -0.108 14.017 1.00 15.00 N1+ ATOM 0 H LYS A 439 -0.665 -2.773 8.888 1.00 15.00 H new ATOM 0 HA LYS A 439 2.203 -2.073 8.632 1.00 15.00 H new ATOM 0 HB2 LYS A 439 0.771 -0.228 9.379 1.00 15.00 H new ATOM 0 HB3 LYS A 439 0.044 -1.241 10.610 1.00 15.00 H new ATOM 0 HG2 LYS A 439 2.271 -1.439 11.729 1.00 15.00 H new ATOM 0 HG3 LYS A 439 2.955 -0.372 10.519 1.00 15.00 H new ATOM 0 HD2 LYS A 439 1.465 1.449 11.203 1.00 15.00 H new ATOM 0 HD3 LYS A 439 0.614 0.389 12.309 1.00 15.00 H new ATOM 0 HE2 LYS A 439 3.577 1.039 12.521 1.00 15.00 H new ATOM 0 HE3 LYS A 439 2.324 1.893 13.398 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 3.107 0.268 14.855 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 1.647 -0.376 14.273 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 3.128 -0.945 13.667 1.00 15.00 H new ATOM 149 N THR A 440 2.988 -3.808 10.207 1.00 15.00 N ATOM 150 CA THR A 440 3.476 -4.814 11.136 1.00 15.00 C ATOM 151 C THR A 440 4.081 -4.143 12.365 1.00 15.00 C ATOM 152 O THR A 440 4.714 -3.076 12.261 1.00 15.00 O ATOM 153 CB THR A 440 4.510 -5.772 10.486 1.00 15.00 C ATOM 154 OG1 THR A 440 5.071 -6.648 11.470 1.00 15.00 O ATOM 155 CG2 THR A 440 5.629 -5.010 9.799 1.00 15.00 C ATOM 0 H THR A 440 3.699 -3.426 9.583 1.00 15.00 H new ATOM 0 HA THR A 440 2.620 -5.420 11.433 1.00 15.00 H new ATOM 0 HB THR A 440 3.978 -6.355 9.735 1.00 15.00 H new ATOM 0 HG1 THR A 440 5.719 -7.246 11.044 1.00 15.00 H new ATOM 0 HG21 THR A 440 6.332 -5.716 9.357 1.00 15.00 H new ATOM 0 HG22 THR A 440 5.211 -4.376 9.017 1.00 15.00 H new ATOM 0 HG23 THR A 440 6.149 -4.390 10.529 1.00 15.00 H new ATOM 163 N ALA A 441 3.885 -4.777 13.523 1.00 15.00 N ATOM 164 CA ALA A 441 4.332 -4.239 14.807 1.00 15.00 C ATOM 165 C ALA A 441 5.853 -4.142 14.875 1.00 15.00 C ATOM 166 O ALA A 441 6.409 -3.616 15.841 1.00 15.00 O ATOM 167 CB ALA A 441 3.808 -5.095 15.949 1.00 15.00 C ATOM 0 H ALA A 441 3.412 -5.678 13.596 1.00 15.00 H new ATOM 0 HA ALA A 441 3.929 -3.231 14.903 1.00 15.00 H new ATOM 0 HB1 ALA A 441 4.149 -4.683 16.899 1.00 15.00 H new ATOM 0 HB2 ALA A 441 2.718 -5.103 15.927 1.00 15.00 H new ATOM 0 HB3 ALA A 441 4.181 -6.114 15.841 1.00 15.00 H new ATOM 173 N ASP A 442 6.517 -4.652 13.844 1.00 15.00 N ATOM 174 CA ASP A 442 7.961 -4.523 13.713 1.00 15.00 C ATOM 175 C ASP A 442 8.349 -3.061 13.486 1.00 15.00 C ATOM 176 O ASP A 442 9.523 -2.698 13.533 1.00 15.00 O ATOM 177 CB ASP A 442 8.458 -5.395 12.555 1.00 15.00 C ATOM 178 CG ASP A 442 9.953 -5.297 12.335 1.00 15.00 C ATOM 179 OD1 ASP A 442 10.718 -5.892 13.125 1.00 15.00 O1- ATOM 180 OD2 ASP A 442 10.370 -4.633 11.364 1.00 15.00 O ATOM 0 H ASP A 442 6.072 -5.163 13.081 1.00 15.00 H new ATOM 0 HA ASP A 442 8.431 -4.861 14.637 1.00 15.00 H new ATOM 0 HB2 ASP A 442 8.193 -6.434 12.751 1.00 15.00 H new ATOM 0 HB3 ASP A 442 7.942 -5.102 11.640 1.00 15.00 H new ATOM 185 N GLY A 443 7.347 -2.225 13.249 1.00 15.00 N ATOM 186 CA GLY A 443 7.580 -0.809 13.082 1.00 15.00 C ATOM 187 C GLY A 443 7.836 -0.437 11.643 1.00 15.00 C ATOM 188 O GLY A 443 8.642 0.449 11.350 1.00 15.00 O ATOM 0 H GLY A 443 6.370 -2.508 13.169 1.00 15.00 H new ATOM 0 HA2 GLY A 443 6.716 -0.255 13.450 1.00 15.00 H new ATOM 0 HA3 GLY A 443 8.434 -0.509 13.690 1.00 15.00 H new ATOM 192 N LYS A 444 7.138 -1.110 10.739 1.00 15.00 N ATOM 193 CA LYS A 444 7.242 -0.790 9.320 1.00 15.00 C ATOM 194 C LYS A 444 5.936 -1.098 8.597 1.00 15.00 C ATOM 195 O LYS A 444 5.298 -2.121 8.846 1.00 15.00 O ATOM 196 CB LYS A 444 8.414 -1.531 8.653 1.00 15.00 C ATOM 197 CG LYS A 444 8.380 -3.046 8.777 1.00 15.00 C ATOM 198 CD LYS A 444 9.304 -3.691 7.751 1.00 15.00 C ATOM 199 CE LYS A 444 9.348 -5.205 7.886 1.00 15.00 C ATOM 200 NZ LYS A 444 10.275 -5.652 8.959 1.00 15.00 N1+ ATOM 0 H LYS A 444 6.499 -1.874 10.958 1.00 15.00 H new ATOM 0 HA LYS A 444 7.439 0.279 9.243 1.00 15.00 H new ATOM 0 HB2 LYS A 444 8.432 -1.270 7.595 1.00 15.00 H new ATOM 0 HB3 LYS A 444 9.346 -1.168 9.087 1.00 15.00 H new ATOM 0 HG2 LYS A 444 8.682 -3.341 9.782 1.00 15.00 H new ATOM 0 HG3 LYS A 444 7.361 -3.405 8.633 1.00 15.00 H new ATOM 0 HD2 LYS A 444 8.970 -3.427 6.748 1.00 15.00 H new ATOM 0 HD3 LYS A 444 10.310 -3.289 7.868 1.00 15.00 H new ATOM 0 HE2 LYS A 444 8.346 -5.577 8.097 1.00 15.00 H new ATOM 0 HE3 LYS A 444 9.657 -5.643 6.937 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 10.194 -6.682 9.081 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 11.252 -5.410 8.697 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 10.028 -5.178 9.851 1.00 15.00 H new ATOM 214 N THR A 445 5.544 -0.210 7.698 1.00 15.00 N ATOM 215 CA THR A 445 4.308 -0.377 6.956 1.00 15.00 C ATOM 216 C THR A 445 4.583 -0.966 5.580 1.00 15.00 C ATOM 217 O THR A 445 5.528 -0.563 4.901 1.00 15.00 O ATOM 218 CB THR A 445 3.574 0.966 6.789 1.00 15.00 C ATOM 219 OG1 THR A 445 3.587 1.689 8.029 1.00 15.00 O ATOM 220 CG2 THR A 445 2.137 0.736 6.357 1.00 15.00 C ATOM 0 H THR A 445 6.066 0.635 7.465 1.00 15.00 H new ATOM 0 HA THR A 445 3.677 -1.059 7.526 1.00 15.00 H new ATOM 0 HB THR A 445 4.088 1.546 6.022 1.00 15.00 H new ATOM 0 HG1 THR A 445 3.120 2.543 7.915 1.00 15.00 H new ATOM 0 HG21 THR A 445 1.633 1.696 6.244 1.00 15.00 H new ATOM 0 HG22 THR A 445 2.124 0.205 5.405 1.00 15.00 H new ATOM 0 HG23 THR A 445 1.621 0.142 7.111 1.00 15.00 H new ATOM 228 N TYR A 446 3.765 -1.928 5.182 1.00 15.00 N ATOM 229 CA TYR A 446 3.874 -2.516 3.866 1.00 15.00 C ATOM 230 C TYR A 446 2.522 -2.472 3.159 1.00 15.00 C ATOM 231 O TYR A 446 1.514 -2.991 3.650 1.00 15.00 O ATOM 232 CB TYR A 446 4.436 -3.948 3.939 1.00 15.00 C ATOM 233 CG TYR A 446 3.629 -4.935 4.764 1.00 15.00 C ATOM 234 CD1 TYR A 446 3.664 -4.913 6.152 1.00 15.00 C ATOM 235 CD2 TYR A 446 2.858 -5.913 4.147 1.00 15.00 C ATOM 236 CE1 TYR A 446 2.950 -5.831 6.899 1.00 15.00 C ATOM 237 CE2 TYR A 446 2.140 -6.831 4.885 1.00 15.00 C ATOM 238 CZ TYR A 446 2.191 -6.788 6.261 1.00 15.00 C ATOM 239 OH TYR A 446 1.483 -7.712 7.001 1.00 15.00 O ATOM 0 H TYR A 446 3.017 -2.316 5.757 1.00 15.00 H new ATOM 0 HA TYR A 446 4.581 -1.930 3.279 1.00 15.00 H new ATOM 0 HB2 TYR A 446 4.521 -4.336 2.924 1.00 15.00 H new ATOM 0 HB3 TYR A 446 5.445 -3.901 4.348 1.00 15.00 H new ATOM 0 HD1 TYR A 446 4.259 -4.166 6.656 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.820 -5.955 3.068 1.00 15.00 H new ATOM 0 HE1 TYR A 446 2.987 -5.798 7.978 1.00 15.00 H new ATOM 0 HE2 TYR A 446 1.541 -7.579 4.387 1.00 15.00 H new ATOM 0 HH TYR A 446 1.000 -8.314 6.397 1.00 15.00 H new ATOM 249 N TYR A 447 2.504 -1.811 2.019 1.00 15.00 N ATOM 250 CA TYR A 447 1.297 -1.684 1.227 1.00 15.00 C ATOM 251 C TYR A 447 1.234 -2.790 0.186 1.00 15.00 C ATOM 252 O TYR A 447 2.037 -2.837 -0.748 1.00 15.00 O ATOM 253 CB TYR A 447 1.244 -0.308 0.559 1.00 15.00 C ATOM 254 CG TYR A 447 0.981 0.829 1.526 1.00 15.00 C ATOM 255 CD1 TYR A 447 2.003 1.378 2.297 1.00 15.00 C ATOM 256 CD2 TYR A 447 -0.296 1.356 1.664 1.00 15.00 C ATOM 257 CE1 TYR A 447 1.755 2.416 3.176 1.00 15.00 C ATOM 258 CE2 TYR A 447 -0.550 2.392 2.539 1.00 15.00 C ATOM 259 CZ TYR A 447 0.476 2.920 3.291 1.00 15.00 C ATOM 260 OH TYR A 447 0.217 3.952 4.163 1.00 15.00 O ATOM 0 H TYR A 447 3.320 -1.349 1.617 1.00 15.00 H new ATOM 0 HA TYR A 447 0.432 -1.780 1.884 1.00 15.00 H new ATOM 0 HB2 TYR A 447 2.189 -0.126 0.046 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.464 -0.313 -0.202 1.00 15.00 H new ATOM 0 HD1 TYR A 447 3.005 0.986 2.207 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -1.105 0.948 1.076 1.00 15.00 H new ATOM 0 HE1 TYR A 447 2.557 2.830 3.769 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -1.550 2.788 2.634 1.00 15.00 H new ATOM 0 HH TYR A 447 -0.722 3.917 4.441 1.00 15.00 H new ATOM 270 N TYR A 448 0.295 -3.699 0.374 1.00 15.00 N ATOM 271 CA TYR A 448 0.135 -4.836 -0.517 1.00 15.00 C ATOM 272 C TYR A 448 -0.889 -4.519 -1.598 1.00 15.00 C ATOM 273 O TYR A 448 -2.025 -4.145 -1.300 1.00 15.00 O ATOM 274 CB TYR A 448 -0.298 -6.067 0.287 1.00 15.00 C ATOM 275 CG TYR A 448 -0.556 -7.302 -0.551 1.00 15.00 C ATOM 276 CD1 TYR A 448 0.447 -7.862 -1.333 1.00 15.00 C ATOM 277 CD2 TYR A 448 -1.801 -7.919 -0.542 1.00 15.00 C ATOM 278 CE1 TYR A 448 0.215 -8.998 -2.085 1.00 15.00 C ATOM 279 CE2 TYR A 448 -2.042 -9.053 -1.293 1.00 15.00 C ATOM 280 CZ TYR A 448 -1.032 -9.589 -2.060 1.00 15.00 C ATOM 281 OH TYR A 448 -1.267 -10.725 -2.799 1.00 15.00 O ATOM 0 H TYR A 448 -0.375 -3.672 1.143 1.00 15.00 H new ATOM 0 HA TYR A 448 1.089 -5.048 -1.000 1.00 15.00 H new ATOM 0 HB2 TYR A 448 0.474 -6.296 1.022 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -1.204 -5.823 0.842 1.00 15.00 H new ATOM 0 HD1 TYR A 448 1.424 -7.402 -1.353 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -2.594 -7.505 0.063 1.00 15.00 H new ATOM 0 HE1 TYR A 448 1.005 -9.421 -2.689 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -3.017 -9.517 -1.279 1.00 15.00 H new ATOM 0 HH TYR A 448 -2.195 -11.014 -2.669 1.00 15.00 H new ATOM 291 N ASN A 449 -0.486 -4.662 -2.850 1.00 15.00 N ATOM 292 CA ASN A 449 -1.384 -4.407 -3.964 1.00 15.00 C ATOM 293 C ASN A 449 -1.537 -5.643 -4.830 1.00 15.00 C ATOM 294 O ASN A 449 -0.557 -6.346 -5.121 1.00 15.00 O ATOM 295 CB ASN A 449 -0.892 -3.241 -4.825 1.00 15.00 C ATOM 296 CG ASN A 449 0.461 -3.494 -5.468 1.00 15.00 C ATOM 297 OD1 ASN A 449 0.550 -4.060 -6.557 1.00 15.00 O ATOM 298 ND2 ASN A 449 1.522 -3.057 -4.808 1.00 15.00 N ATOM 0 H ASN A 449 0.454 -4.952 -3.120 1.00 15.00 H new ATOM 0 HA ASN A 449 -2.353 -4.143 -3.540 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -1.625 -3.041 -5.606 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -0.831 -2.344 -4.208 1.00 15.00 H new ATOM 0 HD21 ASN A 449 2.455 -3.185 -5.200 1.00 15.00 H new ATOM 0 HD22 ASN A 449 1.407 -2.592 -3.907 1.00 15.00 H new ATOM 305 N ASN A 450 -2.769 -5.876 -5.266 1.00 15.00 N ATOM 306 CA ASN A 450 -3.080 -6.984 -6.155 1.00 15.00 C ATOM 307 C ASN A 450 -2.799 -6.591 -7.601 1.00 15.00 C ATOM 308 O ASN A 450 -3.032 -7.374 -8.521 1.00 15.00 O ATOM 309 CB ASN A 450 -4.545 -7.412 -6.003 1.00 15.00 C ATOM 310 CG ASN A 450 -5.533 -6.358 -6.484 1.00 15.00 C ATOM 311 OD1 ASN A 450 -5.269 -5.155 -6.411 1.00 15.00 O ATOM 312 ND2 ASN A 450 -6.676 -6.806 -6.980 1.00 15.00 N ATOM 0 H ASN A 450 -3.575 -5.305 -5.014 1.00 15.00 H new ATOM 0 HA ASN A 450 -2.445 -7.828 -5.884 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -4.707 -8.334 -6.562 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -4.744 -7.635 -4.955 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -7.377 -6.148 -7.320 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -6.855 -7.809 -7.022 1.00 15.00 H new ATOM 319 N ARG A 451 -2.296 -5.367 -7.791 1.00 15.00 N ATOM 320 CA ARG A 451 -1.899 -4.893 -9.110 1.00 15.00 C ATOM 321 C ARG A 451 -0.815 -5.793 -9.680 1.00 15.00 C ATOM 322 O ARG A 451 -1.000 -6.445 -10.705 1.00 15.00 O ATOM 323 CB ARG A 451 -1.393 -3.451 -9.059 1.00 15.00 C ATOM 324 CG ARG A 451 -2.488 -2.397 -9.035 1.00 15.00 C ATOM 325 CD ARG A 451 -1.891 -1.004 -9.152 1.00 15.00 C ATOM 326 NE ARG A 451 -2.903 0.037 -9.315 1.00 15.00 N ATOM 327 CZ ARG A 451 -2.624 1.285 -9.703 1.00 15.00 C ATOM 328 NH1 ARG A 451 -1.377 1.620 -10.024 1.00 15.00 N1+ ATOM 329 NH2 ARG A 451 -3.594 2.186 -9.793 1.00 15.00 N ATOM 0 H ARG A 451 -2.156 -4.689 -7.042 1.00 15.00 H new ATOM 0 HA ARG A 451 -2.779 -4.922 -9.753 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -0.770 -3.329 -8.173 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -0.754 -3.273 -9.924 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -3.185 -2.570 -9.855 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -3.058 -2.478 -8.110 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -1.299 -0.792 -8.262 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -1.209 -0.977 -10.002 1.00 15.00 H new ATOM 0 HE ARG A 451 -3.876 -0.202 -9.122 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -0.633 0.924 -9.974 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -1.165 2.573 -10.320 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -4.554 1.926 -9.566 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -3.380 3.138 -10.089 1.00 15.00 H new ATOM 343 N THR A 452 0.315 -5.825 -8.993 1.00 15.00 N ATOM 344 CA THR A 452 1.419 -6.682 -9.388 1.00 15.00 C ATOM 345 C THR A 452 1.627 -7.824 -8.378 1.00 15.00 C ATOM 346 O THR A 452 2.523 -8.653 -8.548 1.00 15.00 O ATOM 347 CB THR A 452 2.715 -5.851 -9.558 1.00 15.00 C ATOM 348 OG1 THR A 452 3.792 -6.674 -10.022 1.00 15.00 O ATOM 349 CG2 THR A 452 3.105 -5.171 -8.255 1.00 15.00 C ATOM 0 H THR A 452 0.491 -5.266 -8.158 1.00 15.00 H new ATOM 0 HA THR A 452 1.171 -7.133 -10.349 1.00 15.00 H new ATOM 0 HB THR A 452 2.516 -5.081 -10.304 1.00 15.00 H new ATOM 0 HG1 THR A 452 4.477 -6.740 -9.324 1.00 15.00 H new ATOM 0 HG21 THR A 452 4.018 -4.595 -8.404 1.00 15.00 H new ATOM 0 HG22 THR A 452 2.303 -4.504 -7.938 1.00 15.00 H new ATOM 0 HG23 THR A 452 3.274 -5.926 -7.487 1.00 15.00 H new ATOM 357 N LEU A 453 0.783 -7.861 -7.332 1.00 15.00 N ATOM 358 CA LEU A 453 0.860 -8.887 -6.282 1.00 15.00 C ATOM 359 C LEU A 453 2.116 -8.703 -5.440 1.00 15.00 C ATOM 360 O LEU A 453 2.691 -9.664 -4.929 1.00 15.00 O ATOM 361 CB LEU A 453 0.823 -10.297 -6.884 1.00 15.00 C ATOM 362 CG LEU A 453 -0.469 -10.653 -7.615 1.00 15.00 C ATOM 363 CD1 LEU A 453 -0.387 -12.062 -8.177 1.00 15.00 C ATOM 364 CD2 LEU A 453 -1.663 -10.515 -6.682 1.00 15.00 C ATOM 0 H LEU A 453 0.033 -7.184 -7.193 1.00 15.00 H new ATOM 0 HA LEU A 453 -0.011 -8.770 -5.637 1.00 15.00 H new ATOM 0 HB2 LEU A 453 1.656 -10.401 -7.579 1.00 15.00 H new ATOM 0 HB3 LEU A 453 0.982 -11.021 -6.085 1.00 15.00 H new ATOM 0 HG LEU A 453 -0.602 -9.959 -8.445 1.00 15.00 H new ATOM 0 HD11 LEU A 453 -1.315 -12.302 -8.695 1.00 15.00 H new ATOM 0 HD12 LEU A 453 0.446 -12.127 -8.877 1.00 15.00 H new ATOM 0 HD13 LEU A 453 -0.233 -12.770 -7.363 1.00 15.00 H new ATOM 0 HD21 LEU A 453 -2.576 -10.772 -7.219 1.00 15.00 H new ATOM 0 HD22 LEU A 453 -1.540 -11.186 -5.832 1.00 15.00 H new ATOM 0 HD23 LEU A 453 -1.729 -9.487 -6.326 1.00 15.00 H new ATOM 376 N GLU A 454 2.487 -7.453 -5.234 1.00 15.00 N ATOM 377 CA GLU A 454 3.716 -7.134 -4.522 1.00 15.00 C ATOM 378 C GLU A 454 3.430 -6.175 -3.380 1.00 15.00 C ATOM 379 O GLU A 454 2.504 -5.367 -3.450 1.00 15.00 O ATOM 380 CB GLU A 454 4.750 -6.529 -5.474 1.00 15.00 C ATOM 381 CG GLU A 454 5.317 -7.526 -6.476 1.00 15.00 C ATOM 382 CD GLU A 454 6.333 -6.902 -7.413 1.00 15.00 C ATOM 383 OE1 GLU A 454 7.503 -6.742 -7.012 1.00 15.00 O ATOM 384 OE2 GLU A 454 5.965 -6.572 -8.562 1.00 15.00 O1- ATOM 0 H GLU A 454 1.957 -6.640 -5.549 1.00 15.00 H new ATOM 0 HA GLU A 454 4.124 -8.058 -4.111 1.00 15.00 H new ATOM 0 HB2 GLU A 454 4.291 -5.703 -6.017 1.00 15.00 H new ATOM 0 HB3 GLU A 454 5.569 -6.110 -4.889 1.00 15.00 H new ATOM 0 HG2 GLU A 454 5.784 -8.350 -5.937 1.00 15.00 H new ATOM 0 HG3 GLU A 454 4.501 -7.950 -7.062 1.00 15.00 H new ATOM 391 N SER A 455 4.225 -6.270 -2.331 1.00 15.00 N ATOM 392 CA SER A 455 4.079 -5.397 -1.185 1.00 15.00 C ATOM 393 C SER A 455 5.191 -4.352 -1.183 1.00 15.00 C ATOM 394 O SER A 455 6.371 -4.685 -1.103 1.00 15.00 O ATOM 395 CB SER A 455 4.105 -6.222 0.103 1.00 15.00 C ATOM 396 OG SER A 455 3.843 -5.415 1.236 1.00 15.00 O ATOM 0 H SER A 455 4.983 -6.948 -2.250 1.00 15.00 H new ATOM 0 HA SER A 455 3.121 -4.880 -1.244 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.364 -7.019 0.042 1.00 15.00 H new ATOM 0 HB3 SER A 455 5.079 -6.700 0.212 1.00 15.00 H new ATOM 0 HG SER A 455 2.905 -5.132 1.226 1.00 15.00 H new ATOM 402 N THR A 456 4.806 -3.091 -1.287 1.00 15.00 N ATOM 403 CA THR A 456 5.769 -2.005 -1.312 1.00 15.00 C ATOM 404 C THR A 456 5.795 -1.278 0.028 1.00 15.00 C ATOM 405 O THR A 456 4.751 -0.966 0.595 1.00 15.00 O ATOM 406 CB THR A 456 5.465 -1.004 -2.455 1.00 15.00 C ATOM 407 OG1 THR A 456 6.321 0.140 -2.351 1.00 15.00 O ATOM 408 CG2 THR A 456 4.007 -0.558 -2.435 1.00 15.00 C ATOM 0 H THR A 456 3.832 -2.795 -1.355 1.00 15.00 H new ATOM 0 HA THR A 456 6.751 -2.442 -1.497 1.00 15.00 H new ATOM 0 HB THR A 456 5.651 -1.515 -3.400 1.00 15.00 H new ATOM 0 HG1 THR A 456 5.793 0.920 -2.080 1.00 15.00 H new ATOM 0 HG21 THR A 456 3.830 0.143 -3.250 1.00 15.00 H new ATOM 0 HG22 THR A 456 3.359 -1.426 -2.556 1.00 15.00 H new ATOM 0 HG23 THR A 456 3.788 -0.072 -1.484 1.00 15.00 H new ATOM 416 N PHE A 457 6.992 -1.023 0.536 1.00 15.00 N ATOM 417 CA PHE A 457 7.154 -0.298 1.791 1.00 15.00 C ATOM 418 C PHE A 457 7.145 1.205 1.529 1.00 15.00 C ATOM 419 O PHE A 457 7.260 2.015 2.449 1.00 15.00 O ATOM 420 CB PHE A 457 8.461 -0.703 2.480 1.00 15.00 C ATOM 421 CG PHE A 457 8.538 -2.163 2.827 1.00 15.00 C ATOM 422 CD1 PHE A 457 7.997 -2.639 4.010 1.00 15.00 C ATOM 423 CD2 PHE A 457 9.152 -3.059 1.969 1.00 15.00 C ATOM 424 CE1 PHE A 457 8.068 -3.981 4.331 1.00 15.00 C ATOM 425 CE2 PHE A 457 9.227 -4.401 2.283 1.00 15.00 C ATOM 426 CZ PHE A 457 8.682 -4.863 3.464 1.00 15.00 C ATOM 0 H PHE A 457 7.868 -1.308 0.098 1.00 15.00 H new ATOM 0 HA PHE A 457 6.323 -0.551 2.449 1.00 15.00 H new ATOM 0 HB2 PHE A 457 9.298 -0.450 1.829 1.00 15.00 H new ATOM 0 HB3 PHE A 457 8.577 -0.116 3.391 1.00 15.00 H new ATOM 0 HD1 PHE A 457 7.514 -1.953 4.690 1.00 15.00 H new ATOM 0 HD2 PHE A 457 9.578 -2.704 1.042 1.00 15.00 H new ATOM 0 HE1 PHE A 457 7.644 -4.339 5.258 1.00 15.00 H new ATOM 0 HE2 PHE A 457 9.711 -5.089 1.606 1.00 15.00 H new ATOM 0 HZ PHE A 457 8.736 -5.913 3.710 1.00 15.00 H new ATOM 436 N GLU A 458 7.006 1.558 0.261 1.00 15.00 N ATOM 437 CA GLU A 458 6.993 2.948 -0.162 1.00 15.00 C ATOM 438 C GLU A 458 5.593 3.331 -0.625 1.00 15.00 C ATOM 439 O GLU A 458 4.925 2.549 -1.304 1.00 15.00 O ATOM 440 CB GLU A 458 7.999 3.147 -1.294 1.00 15.00 C ATOM 441 CG GLU A 458 8.192 4.598 -1.696 1.00 15.00 C ATOM 442 CD GLU A 458 9.183 4.751 -2.825 1.00 15.00 C ATOM 443 OE1 GLU A 458 10.404 4.703 -2.562 1.00 15.00 O ATOM 444 OE2 GLU A 458 8.750 4.915 -3.984 1.00 15.00 O1- ATOM 0 H GLU A 458 6.899 0.890 -0.502 1.00 15.00 H new ATOM 0 HA GLU A 458 7.272 3.587 0.676 1.00 15.00 H new ATOM 0 HB2 GLU A 458 8.960 2.733 -0.990 1.00 15.00 H new ATOM 0 HB3 GLU A 458 7.669 2.580 -2.164 1.00 15.00 H new ATOM 0 HG2 GLU A 458 7.233 5.020 -1.997 1.00 15.00 H new ATOM 0 HG3 GLU A 458 8.535 5.169 -0.834 1.00 15.00 H new ATOM 451 N LYS A 459 5.167 4.540 -0.281 1.00 15.00 N ATOM 452 CA LYS A 459 3.827 5.004 -0.611 1.00 15.00 C ATOM 453 C LYS A 459 3.724 5.358 -2.092 1.00 15.00 C ATOM 454 O LYS A 459 4.459 6.214 -2.588 1.00 15.00 O ATOM 455 CB LYS A 459 3.469 6.221 0.245 1.00 15.00 C ATOM 456 CG LYS A 459 3.564 5.960 1.738 1.00 15.00 C ATOM 457 CD LYS A 459 3.467 7.248 2.537 1.00 15.00 C ATOM 458 CE LYS A 459 3.639 6.993 4.024 1.00 15.00 C ATOM 459 NZ LYS A 459 3.659 8.259 4.801 1.00 15.00 N1+ ATOM 0 H LYS A 459 5.733 5.219 0.228 1.00 15.00 H new ATOM 0 HA LYS A 459 3.123 4.198 -0.401 1.00 15.00 H new ATOM 0 HB2 LYS A 459 4.133 7.046 -0.015 1.00 15.00 H new ATOM 0 HB3 LYS A 459 2.455 6.540 0.004 1.00 15.00 H new ATOM 0 HG2 LYS A 459 2.766 5.282 2.041 1.00 15.00 H new ATOM 0 HG3 LYS A 459 4.508 5.462 1.962 1.00 15.00 H new ATOM 0 HD2 LYS A 459 4.230 7.948 2.196 1.00 15.00 H new ATOM 0 HD3 LYS A 459 2.500 7.718 2.356 1.00 15.00 H new ATOM 0 HE2 LYS A 459 2.826 6.360 4.381 1.00 15.00 H new ATOM 0 HE3 LYS A 459 4.567 6.447 4.194 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 3.778 8.044 5.812 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 4.450 8.852 4.478 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 2.763 8.768 4.658 1.00 15.00 H new ATOM 473 N PRO A 460 2.815 4.691 -2.814 1.00 15.00 N ATOM 474 CA PRO A 460 2.600 4.934 -4.239 1.00 15.00 C ATOM 475 C PRO A 460 1.849 6.240 -4.496 1.00 15.00 C ATOM 476 O PRO A 460 0.977 6.635 -3.717 1.00 15.00 O ATOM 477 CB PRO A 460 1.766 3.733 -4.681 1.00 15.00 C ATOM 478 CG PRO A 460 1.061 3.271 -3.454 1.00 15.00 C ATOM 479 CD PRO A 460 1.932 3.638 -2.286 1.00 15.00 C ATOM 0 HA PRO A 460 3.538 5.037 -4.784 1.00 15.00 H new ATOM 0 HB2 PRO A 460 1.057 4.012 -5.460 1.00 15.00 H new ATOM 0 HB3 PRO A 460 2.398 2.945 -5.092 1.00 15.00 H new ATOM 0 HG2 PRO A 460 0.083 3.744 -3.370 1.00 15.00 H new ATOM 0 HG3 PRO A 460 0.893 2.195 -3.487 1.00 15.00 H new ATOM 0 HD2 PRO A 460 1.340 3.999 -1.445 1.00 15.00 H new ATOM 0 HD3 PRO A 460 2.503 2.781 -1.929 1.00 15.00 H new ATOM 487 N GLN A 461 2.170 6.884 -5.612 1.00 15.00 N ATOM 488 CA GLN A 461 1.609 8.191 -5.944 1.00 15.00 C ATOM 489 C GLN A 461 0.124 8.116 -6.308 1.00 15.00 C ATOM 490 O GLN A 461 -0.539 9.145 -6.434 1.00 15.00 O ATOM 491 CB GLN A 461 2.405 8.832 -7.085 1.00 15.00 C ATOM 492 CG GLN A 461 2.548 7.943 -8.311 1.00 15.00 C ATOM 493 CD GLN A 461 3.481 8.527 -9.355 1.00 15.00 C ATOM 494 OE1 GLN A 461 4.407 9.270 -9.030 1.00 15.00 O ATOM 495 NE2 GLN A 461 3.252 8.190 -10.613 1.00 15.00 N ATOM 0 H GLN A 461 2.821 6.520 -6.308 1.00 15.00 H new ATOM 0 HA GLN A 461 1.687 8.812 -5.051 1.00 15.00 H new ATOM 0 HB2 GLN A 461 1.918 9.762 -7.377 1.00 15.00 H new ATOM 0 HB3 GLN A 461 3.398 9.094 -6.720 1.00 15.00 H new ATOM 0 HG2 GLN A 461 2.920 6.966 -8.004 1.00 15.00 H new ATOM 0 HG3 GLN A 461 1.566 7.785 -8.756 1.00 15.00 H new ATOM 0 HE21 GLN A 461 2.474 7.571 -10.842 1.00 15.00 H new ATOM 0 HE22 GLN A 461 3.853 8.549 -11.355 1.00 15.00 H new ATOM 504 N GLU A 462 -0.396 6.907 -6.491 1.00 15.00 N ATOM 505 CA GLU A 462 -1.820 6.733 -6.758 1.00 15.00 C ATOM 506 C GLU A 462 -2.635 6.801 -5.472 1.00 15.00 C ATOM 507 O GLU A 462 -3.867 6.859 -5.511 1.00 15.00 O ATOM 508 CB GLU A 462 -2.108 5.398 -7.450 1.00 15.00 C ATOM 509 CG GLU A 462 -1.628 5.320 -8.886 1.00 15.00 C ATOM 510 CD GLU A 462 -0.238 4.736 -9.022 1.00 15.00 C ATOM 511 OE1 GLU A 462 0.639 5.050 -8.193 1.00 15.00 O1- ATOM 512 OE2 GLU A 462 -0.030 3.937 -9.956 1.00 15.00 O ATOM 0 H GLU A 462 0.141 6.040 -6.460 1.00 15.00 H new ATOM 0 HA GLU A 462 -2.111 7.548 -7.420 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -1.638 4.598 -6.879 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -3.182 5.216 -7.429 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -2.327 4.715 -9.463 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -1.639 6.320 -9.320 1.00 15.00 H new ATOM 519 N LEU A 463 -1.955 6.767 -4.338 1.00 15.00 N ATOM 520 CA LEU A 463 -2.631 6.762 -3.055 1.00 15.00 C ATOM 521 C LEU A 463 -2.513 8.120 -2.376 1.00 15.00 C ATOM 522 O LEU A 463 -1.416 8.559 -2.024 1.00 15.00 O ATOM 523 CB LEU A 463 -2.058 5.669 -2.151 1.00 15.00 C ATOM 524 CG LEU A 463 -2.793 5.472 -0.822 1.00 15.00 C ATOM 525 CD1 LEU A 463 -4.239 5.066 -1.063 1.00 15.00 C ATOM 526 CD2 LEU A 463 -2.079 4.432 0.026 1.00 15.00 C ATOM 0 H LEU A 463 -0.937 6.743 -4.281 1.00 15.00 H new ATOM 0 HA LEU A 463 -3.687 6.554 -3.230 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -2.068 4.726 -2.697 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -1.015 5.904 -1.940 1.00 15.00 H new ATOM 0 HG LEU A 463 -2.792 6.419 -0.283 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -4.743 4.931 -0.106 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -4.745 5.845 -1.633 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -4.266 4.131 -1.622 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -2.612 4.302 0.968 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -2.051 3.483 -0.509 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -1.061 4.764 0.228 1.00 15.00 H new ATOM 538 N LYS A 464 -3.645 8.785 -2.217 1.00 15.00 N ATOM 539 CA LYS A 464 -3.694 10.066 -1.535 1.00 15.00 C ATOM 540 C LYS A 464 -4.568 9.966 -0.294 1.00 15.00 C ATOM 541 O LYS A 464 -4.017 9.951 0.825 1.00 15.00 O ATOM 542 CB LYS A 464 -4.228 11.157 -2.468 1.00 15.00 C ATOM 543 CG LYS A 464 -3.309 11.471 -3.643 1.00 15.00 C ATOM 544 CD LYS A 464 -1.909 11.852 -3.180 1.00 15.00 C ATOM 545 CE LYS A 464 -1.926 13.026 -2.208 1.00 15.00 C ATOM 546 NZ LYS A 464 -2.444 14.275 -2.829 1.00 15.00 N1+ ATOM 547 OXT LYS A 464 -5.800 9.877 -0.439 1.00 15.00 O ATOM 0 H LYS A 464 -4.549 8.455 -2.554 1.00 15.00 H new ATOM 0 HA LYS A 464 -2.681 10.334 -1.235 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -5.200 10.848 -2.852 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -4.388 12.068 -1.891 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -3.251 10.604 -4.301 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -3.733 12.287 -4.228 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -1.440 10.993 -2.701 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -1.298 12.108 -4.046 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -2.542 12.770 -1.346 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -0.916 13.201 -1.837 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -2.403 15.050 -2.137 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -1.862 14.519 -3.656 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -3.429 14.131 -3.129 1.00 15.00 H new TER 561 LYS A 464