USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=13 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 Set 1.1: A 449 ASN : amide:sc= -1.47! C(o=-1.6!,f=-9.3!) USER MOD Set 1.2: A 452 THR OG1 : rot -55:sc= -0.136 USER MOD Single : A 433 SER OG : rot -96:sc= 1.29 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 440 THR OG1 : rot -110:sc= -0.595 USER MOD Single : A 444 LYS NZ :NH3+ 140:sc= 1.18 (180deg=0.906) 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 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc= -0.226 USER MOD Single : A 450 ASN : amide:sc= -0.0247 X(o=-0.025,f=-0.025) USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 THR OG1 : rot -107:sc= 1.08 USER MOD Single : A 459 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0443) USER MOD Single : A 461 GLN : amide:sc= -1.35! K(o=-1.4!,f=-0.018) USER MOD Single : A 464 LYS NZ :NH3+ 154:sc= 1.3 (180deg=0.874) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 432 6.581 9.739 -6.629 1.00 15.00 N ATOM 2 CA VAL A 432 5.129 9.893 -6.884 1.00 15.00 C ATOM 3 C VAL A 432 4.350 8.821 -6.151 1.00 15.00 C ATOM 4 O VAL A 432 4.924 8.046 -5.385 1.00 15.00 O ATOM 5 CB VAL A 432 4.806 9.823 -8.395 1.00 15.00 C ATOM 6 CG1 VAL A 432 5.468 10.976 -9.135 1.00 15.00 C ATOM 7 CG2 VAL A 432 5.240 8.490 -8.988 1.00 15.00 C ATOM 0 HA VAL A 432 4.835 10.876 -6.516 1.00 15.00 H new ATOM 0 HB VAL A 432 3.726 9.908 -8.512 1.00 15.00 H new ATOM 0 HG11 VAL A 432 5.230 10.911 -10.197 1.00 15.00 H new ATOM 0 HG12 VAL A 432 5.100 11.922 -8.738 1.00 15.00 H new ATOM 0 HG13 VAL A 432 6.548 10.922 -9.001 1.00 15.00 H new ATOM 0 HG21 VAL A 432 5.000 8.469 -10.051 1.00 15.00 H new ATOM 0 HG22 VAL A 432 6.315 8.366 -8.856 1.00 15.00 H new ATOM 0 HG23 VAL A 432 4.716 7.679 -8.482 1.00 15.00 H new ATOM 17 N SER A 433 3.040 8.811 -6.348 1.00 15.00 N ATOM 18 CA SER A 433 2.209 7.719 -5.860 1.00 15.00 C ATOM 19 C SER A 433 2.761 6.393 -6.374 1.00 15.00 C ATOM 20 O SER A 433 2.626 6.059 -7.551 1.00 15.00 O ATOM 21 CB SER A 433 0.755 7.904 -6.297 1.00 15.00 C ATOM 22 OG SER A 433 0.221 9.110 -5.777 1.00 15.00 O ATOM 0 H SER A 433 2.530 9.544 -6.841 1.00 15.00 H new ATOM 0 HA SER A 433 2.230 7.717 -4.770 1.00 15.00 H new ATOM 0 HB2 SER A 433 0.697 7.915 -7.385 1.00 15.00 H new ATOM 0 HB3 SER A 433 0.158 7.059 -5.954 1.00 15.00 H new ATOM 0 HG SER A 433 -0.268 8.921 -4.949 1.00 15.00 H new ATOM 28 N GLU A 434 3.411 5.660 -5.487 1.00 15.00 N ATOM 29 CA GLU A 434 4.175 4.492 -5.867 1.00 15.00 C ATOM 30 C GLU A 434 3.787 3.325 -4.973 1.00 15.00 C ATOM 31 O GLU A 434 4.638 2.669 -4.369 1.00 15.00 O ATOM 32 CB GLU A 434 5.664 4.819 -5.734 1.00 15.00 C ATOM 33 CG GLU A 434 6.343 5.049 -7.073 1.00 15.00 C ATOM 34 CD GLU A 434 7.598 5.889 -6.957 1.00 15.00 C ATOM 35 OE1 GLU A 434 8.677 5.316 -6.709 1.00 15.00 O1- ATOM 36 OE2 GLU A 434 7.512 7.130 -7.127 1.00 15.00 O ATOM 0 H GLU A 434 3.422 5.860 -4.487 1.00 15.00 H new ATOM 0 HA GLU A 434 3.966 4.213 -6.900 1.00 15.00 H new ATOM 0 HB2 GLU A 434 5.781 5.709 -5.116 1.00 15.00 H new ATOM 0 HB3 GLU A 434 6.165 4.002 -5.214 1.00 15.00 H new ATOM 0 HG2 GLU A 434 6.595 4.086 -7.518 1.00 15.00 H new ATOM 0 HG3 GLU A 434 5.644 5.540 -7.750 1.00 15.00 H new ATOM 43 N TRP A 435 2.485 3.078 -4.900 1.00 15.00 N ATOM 44 CA TRP A 435 1.944 2.049 -4.030 1.00 15.00 C ATOM 45 C TRP A 435 1.866 0.719 -4.764 1.00 15.00 C ATOM 46 O TRP A 435 1.193 0.603 -5.791 1.00 15.00 O ATOM 47 CB TRP A 435 0.538 2.430 -3.549 1.00 15.00 C ATOM 48 CG TRP A 435 0.441 3.789 -2.927 1.00 15.00 C ATOM 49 CD1 TRP A 435 0.078 4.948 -3.550 1.00 15.00 C ATOM 50 CD2 TRP A 435 0.697 4.131 -1.562 1.00 15.00 C ATOM 51 NE1 TRP A 435 0.097 5.988 -2.658 1.00 15.00 N ATOM 52 CE2 TRP A 435 0.473 5.514 -1.430 1.00 15.00 C ATOM 53 CE3 TRP A 435 1.093 3.402 -0.435 1.00 15.00 C ATOM 54 CZ2 TRP A 435 0.632 6.182 -0.217 1.00 15.00 C ATOM 55 CZ3 TRP A 435 1.252 4.066 0.766 1.00 15.00 C ATOM 56 CH2 TRP A 435 1.022 5.444 0.867 1.00 15.00 C ATOM 0 H TRP A 435 1.781 3.583 -5.439 1.00 15.00 H new ATOM 0 HA TRP A 435 2.609 1.957 -3.171 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -0.147 2.382 -4.395 1.00 15.00 H new ATOM 0 HB3 TRP A 435 0.202 1.688 -2.825 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -0.186 5.033 -4.594 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -0.132 6.958 -2.874 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.271 2.339 -0.503 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 0.454 7.244 -0.136 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.559 3.513 1.642 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.155 5.934 1.820 1.00 15.00 H new ATOM 67 N THR A 436 2.564 -0.274 -4.249 1.00 15.00 N ATOM 68 CA THR A 436 2.479 -1.614 -4.781 1.00 15.00 C ATOM 69 C THR A 436 1.471 -2.414 -3.963 1.00 15.00 C ATOM 70 O THR A 436 1.435 -2.317 -2.731 1.00 15.00 O ATOM 71 CB THR A 436 3.862 -2.314 -4.786 1.00 15.00 C ATOM 72 OG1 THR A 436 3.787 -3.568 -5.474 1.00 15.00 O ATOM 73 CG2 THR A 436 4.385 -2.538 -3.373 1.00 15.00 C ATOM 0 H THR A 436 3.199 -0.174 -3.457 1.00 15.00 H new ATOM 0 HA THR A 436 2.146 -1.558 -5.817 1.00 15.00 H new ATOM 0 HB THR A 436 4.556 -1.654 -5.306 1.00 15.00 H new ATOM 0 HG1 THR A 436 4.668 -3.997 -5.470 1.00 15.00 H new ATOM 0 HG21 THR A 436 5.356 -3.031 -3.418 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.488 -1.578 -2.867 1.00 15.00 H new ATOM 0 HG23 THR A 436 3.685 -3.166 -2.821 1.00 15.00 H new ATOM 81 N GLU A 437 0.614 -3.160 -4.640 1.00 15.00 N ATOM 82 CA GLU A 437 -0.383 -3.957 -3.954 1.00 15.00 C ATOM 83 C GLU A 437 0.167 -5.339 -3.647 1.00 15.00 C ATOM 84 O GLU A 437 0.301 -6.196 -4.524 1.00 15.00 O ATOM 85 CB GLU A 437 -1.682 -4.047 -4.762 1.00 15.00 C ATOM 86 CG GLU A 437 -1.487 -4.603 -6.156 1.00 15.00 C ATOM 87 CD GLU A 437 -2.759 -4.582 -6.978 1.00 15.00 C ATOM 88 OE1 GLU A 437 -3.044 -3.548 -7.622 1.00 15.00 O1- ATOM 89 OE2 GLU A 437 -3.478 -5.602 -6.991 1.00 15.00 O ATOM 0 H GLU A 437 0.590 -3.229 -5.657 1.00 15.00 H new ATOM 0 HA GLU A 437 -0.622 -3.463 -3.012 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -2.392 -4.675 -4.225 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -2.126 -3.054 -4.834 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -0.718 -4.025 -6.669 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -1.122 -5.628 -6.086 1.00 15.00 H new ATOM 96 N ARG A 438 0.542 -5.527 -2.406 1.00 15.00 N ATOM 97 CA ARG A 438 1.038 -6.810 -1.952 1.00 15.00 C ATOM 98 C ARG A 438 -0.082 -7.587 -1.287 1.00 15.00 C ATOM 99 O ARG A 438 -0.591 -7.196 -0.234 1.00 15.00 O ATOM 100 CB ARG A 438 2.217 -6.632 -0.994 1.00 15.00 C ATOM 101 CG ARG A 438 2.782 -7.944 -0.470 1.00 15.00 C ATOM 102 CD ARG A 438 3.225 -8.859 -1.597 1.00 15.00 C ATOM 103 NE ARG A 438 3.762 -10.121 -1.093 1.00 15.00 N ATOM 104 CZ ARG A 438 3.498 -11.313 -1.628 1.00 15.00 C ATOM 105 NH1 ARG A 438 2.645 -11.424 -2.641 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 4.069 -12.401 -1.127 1.00 15.00 N ATOM 0 H ARG A 438 0.514 -4.805 -1.686 1.00 15.00 H new ATOM 0 HA ARG A 438 1.394 -7.373 -2.815 1.00 15.00 H new ATOM 0 HB2 ARG A 438 3.009 -6.084 -1.504 1.00 15.00 H new ATOM 0 HB3 ARG A 438 1.899 -6.021 -0.150 1.00 15.00 H new ATOM 0 HG2 ARG A 438 3.629 -7.739 0.185 1.00 15.00 H new ATOM 0 HG3 ARG A 438 2.027 -8.449 0.133 1.00 15.00 H new ATOM 0 HD2 ARG A 438 2.380 -9.061 -2.255 1.00 15.00 H new ATOM 0 HD3 ARG A 438 3.983 -8.356 -2.197 1.00 15.00 H new ATOM 0 HE ARG A 438 4.378 -10.088 -0.281 1.00 15.00 H new ATOM 0 HH11 ARG A 438 2.187 -10.593 -3.015 1.00 15.00 H new ATOM 0 HH12 ARG A 438 2.449 -12.340 -3.044 1.00 15.00 H new ATOM 0 HH21 ARG A 438 4.707 -12.323 -0.335 1.00 15.00 H new ATOM 0 HH22 ARG A 438 3.870 -13.315 -1.534 1.00 15.00 H new ATOM 120 N LYS A 439 -0.467 -8.682 -1.909 1.00 15.00 N ATOM 121 CA LYS A 439 -1.583 -9.472 -1.428 1.00 15.00 C ATOM 122 C LYS A 439 -1.095 -10.522 -0.450 1.00 15.00 C ATOM 123 O LYS A 439 -0.456 -11.504 -0.828 1.00 15.00 O ATOM 124 CB LYS A 439 -2.325 -10.104 -2.602 1.00 15.00 C ATOM 125 CG LYS A 439 -2.845 -9.067 -3.586 1.00 15.00 C ATOM 126 CD LYS A 439 -3.525 -9.702 -4.787 1.00 15.00 C ATOM 127 CE LYS A 439 -4.061 -8.636 -5.728 1.00 15.00 C ATOM 128 NZ LYS A 439 -4.736 -9.215 -6.921 1.00 15.00 N1+ ATOM 0 H LYS A 439 -0.022 -9.047 -2.751 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.283 -8.823 -0.901 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -1.658 -10.792 -3.122 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -3.160 -10.694 -2.225 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -3.550 -8.409 -3.078 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -2.017 -8.445 -3.927 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -2.817 -10.339 -5.317 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.341 -10.342 -4.452 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -4.764 -8.001 -5.189 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -3.240 -7.997 -6.054 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -5.083 -8.447 -7.530 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -4.060 -9.800 -7.453 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -5.537 -9.803 -6.615 1.00 15.00 H new ATOM 142 N THR A 440 -1.379 -10.277 0.813 1.00 15.00 N ATOM 143 CA THR A 440 -0.891 -11.103 1.898 1.00 15.00 C ATOM 144 C THR A 440 -1.894 -12.207 2.229 1.00 15.00 C ATOM 145 O THR A 440 -3.097 -11.953 2.306 1.00 15.00 O ATOM 146 CB THR A 440 -0.646 -10.216 3.134 1.00 15.00 C ATOM 147 OG1 THR A 440 0.071 -9.049 2.730 1.00 15.00 O ATOM 148 CG2 THR A 440 0.151 -10.934 4.208 1.00 15.00 C ATOM 0 H THR A 440 -1.958 -9.494 1.117 1.00 15.00 H new ATOM 0 HA THR A 440 0.043 -11.577 1.596 1.00 15.00 H new ATOM 0 HB THR A 440 -1.617 -9.957 3.556 1.00 15.00 H new ATOM 0 HG1 THR A 440 0.984 -9.088 3.083 1.00 15.00 H new ATOM 0 HG21 THR A 440 0.298 -10.268 5.058 1.00 15.00 H new ATOM 0 HG22 THR A 440 -0.392 -11.822 4.532 1.00 15.00 H new ATOM 0 HG23 THR A 440 1.120 -11.228 3.806 1.00 15.00 H new ATOM 156 N ALA A 441 -1.391 -13.424 2.430 1.00 15.00 N ATOM 157 CA ALA A 441 -2.237 -14.578 2.738 1.00 15.00 C ATOM 158 C ALA A 441 -2.920 -14.444 4.101 1.00 15.00 C ATOM 159 O ALA A 441 -3.636 -15.346 4.538 1.00 15.00 O ATOM 160 CB ALA A 441 -1.416 -15.856 2.685 1.00 15.00 C ATOM 0 H ALA A 441 -0.395 -13.638 2.385 1.00 15.00 H new ATOM 0 HA ALA A 441 -3.023 -14.619 1.984 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -2.055 -16.709 2.916 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -0.995 -15.977 1.687 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -0.608 -15.800 3.415 1.00 15.00 H new ATOM 166 N ASP A 442 -2.699 -13.316 4.761 1.00 15.00 N ATOM 167 CA ASP A 442 -3.373 -13.007 6.016 1.00 15.00 C ATOM 168 C ASP A 442 -4.784 -12.490 5.727 1.00 15.00 C ATOM 169 O ASP A 442 -5.556 -12.184 6.637 1.00 15.00 O ATOM 170 CB ASP A 442 -2.560 -11.964 6.800 1.00 15.00 C ATOM 171 CG ASP A 442 -3.129 -11.667 8.174 1.00 15.00 C ATOM 172 OD1 ASP A 442 -3.144 -12.575 9.028 1.00 15.00 O1- ATOM 173 OD2 ASP A 442 -3.555 -10.518 8.415 1.00 15.00 O ATOM 0 H ASP A 442 -2.052 -12.593 4.445 1.00 15.00 H new ATOM 0 HA ASP A 442 -3.451 -13.910 6.622 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -1.535 -12.319 6.908 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -2.518 -11.039 6.224 1.00 15.00 H new ATOM 178 N GLY A 443 -5.110 -12.399 4.438 1.00 15.00 N ATOM 179 CA GLY A 443 -6.424 -11.945 4.028 1.00 15.00 C ATOM 180 C GLY A 443 -6.465 -10.446 3.845 1.00 15.00 C ATOM 181 O GLY A 443 -7.534 -9.838 3.814 1.00 15.00 O ATOM 0 H GLY A 443 -4.482 -12.634 3.669 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -6.703 -12.433 3.094 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -7.161 -12.241 4.775 1.00 15.00 H new ATOM 185 N LYS A 444 -5.292 -9.848 3.715 1.00 15.00 N ATOM 186 CA LYS A 444 -5.180 -8.402 3.635 1.00 15.00 C ATOM 187 C LYS A 444 -4.207 -8.006 2.539 1.00 15.00 C ATOM 188 O LYS A 444 -3.144 -8.606 2.391 1.00 15.00 O ATOM 189 CB LYS A 444 -4.696 -7.834 4.970 1.00 15.00 C ATOM 190 CG LYS A 444 -5.585 -8.190 6.149 1.00 15.00 C ATOM 191 CD LYS A 444 -5.031 -7.634 7.449 1.00 15.00 C ATOM 192 CE LYS A 444 -5.887 -8.034 8.639 1.00 15.00 C ATOM 193 NZ LYS A 444 -5.933 -9.507 8.825 1.00 15.00 N1+ ATOM 0 H LYS A 444 -4.402 -10.344 3.663 1.00 15.00 H new ATOM 0 HA LYS A 444 -6.165 -7.996 3.405 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -3.688 -8.199 5.165 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -4.632 -6.749 4.890 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -6.588 -7.797 5.982 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -5.675 -9.274 6.224 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -4.013 -7.995 7.595 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -4.978 -6.547 7.387 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -5.493 -7.567 9.542 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -6.899 -7.655 8.500 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -5.885 -9.730 9.840 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -6.820 -9.879 8.430 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -5.126 -9.944 8.336 1.00 15.00 H new ATOM 207 N THR A 445 -4.572 -6.991 1.783 1.00 15.00 N ATOM 208 CA THR A 445 -3.690 -6.441 0.773 1.00 15.00 C ATOM 209 C THR A 445 -3.116 -5.121 1.271 1.00 15.00 C ATOM 210 O THR A 445 -3.787 -4.088 1.231 1.00 15.00 O ATOM 211 CB THR A 445 -4.440 -6.226 -0.555 1.00 15.00 C ATOM 212 OG1 THR A 445 -5.098 -7.444 -0.934 1.00 15.00 O ATOM 213 CG2 THR A 445 -3.486 -5.791 -1.661 1.00 15.00 C ATOM 0 H THR A 445 -5.478 -6.528 1.849 1.00 15.00 H new ATOM 0 HA THR A 445 -2.880 -7.147 0.591 1.00 15.00 H new ATOM 0 HB THR A 445 -5.176 -5.435 -0.411 1.00 15.00 H new ATOM 0 HG1 THR A 445 -5.577 -7.308 -1.778 1.00 15.00 H new ATOM 0 HG21 THR A 445 -4.043 -5.647 -2.587 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.004 -4.855 -1.378 1.00 15.00 H new ATOM 0 HG23 THR A 445 -2.727 -6.559 -1.810 1.00 15.00 H new ATOM 221 N TYR A 446 -1.889 -5.163 1.769 1.00 15.00 N ATOM 222 CA TYR A 446 -1.277 -3.983 2.351 1.00 15.00 C ATOM 223 C TYR A 446 -0.526 -3.210 1.274 1.00 15.00 C ATOM 224 O TYR A 446 0.246 -3.783 0.498 1.00 15.00 O ATOM 225 CB TYR A 446 -0.365 -4.364 3.537 1.00 15.00 C ATOM 226 CG TYR A 446 0.997 -4.916 3.176 1.00 15.00 C ATOM 227 CD1 TYR A 446 1.162 -6.255 2.861 1.00 15.00 C ATOM 228 CD2 TYR A 446 2.123 -4.100 3.178 1.00 15.00 C ATOM 229 CE1 TYR A 446 2.407 -6.769 2.557 1.00 15.00 C ATOM 230 CE2 TYR A 446 3.371 -4.605 2.870 1.00 15.00 C ATOM 231 CZ TYR A 446 3.508 -5.941 2.559 1.00 15.00 C ATOM 232 OH TYR A 446 4.752 -6.453 2.257 1.00 15.00 O ATOM 0 H TYR A 446 -1.302 -5.997 1.781 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.055 -3.333 2.751 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -0.224 -3.480 4.159 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -0.885 -5.103 4.146 1.00 15.00 H new ATOM 0 HD1 TYR A 446 0.302 -6.908 2.853 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.020 -3.054 3.425 1.00 15.00 H new ATOM 0 HE1 TYR A 446 2.517 -7.817 2.318 1.00 15.00 H new ATOM 0 HE2 TYR A 446 4.235 -3.957 2.873 1.00 15.00 H new ATOM 0 HH TYR A 446 5.420 -5.737 2.302 1.00 15.00 H new ATOM 242 N TYR A 447 -0.767 -1.913 1.224 1.00 15.00 N ATOM 243 CA TYR A 447 -0.199 -1.075 0.185 1.00 15.00 C ATOM 244 C TYR A 447 1.100 -0.447 0.654 1.00 15.00 C ATOM 245 O TYR A 447 1.141 0.245 1.675 1.00 15.00 O ATOM 246 CB TYR A 447 -1.198 0.001 -0.236 1.00 15.00 C ATOM 247 CG TYR A 447 -2.474 -0.568 -0.816 1.00 15.00 C ATOM 248 CD1 TYR A 447 -2.497 -1.103 -2.098 1.00 15.00 C ATOM 249 CD2 TYR A 447 -3.656 -0.571 -0.083 1.00 15.00 C ATOM 250 CE1 TYR A 447 -3.657 -1.626 -2.631 1.00 15.00 C ATOM 251 CE2 TYR A 447 -4.821 -1.093 -0.613 1.00 15.00 C ATOM 252 CZ TYR A 447 -4.815 -1.619 -1.886 1.00 15.00 C ATOM 253 OH TYR A 447 -5.971 -2.140 -2.420 1.00 15.00 O ATOM 0 H TYR A 447 -1.354 -1.416 1.893 1.00 15.00 H new ATOM 0 HA TYR A 447 0.020 -1.700 -0.681 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.443 0.619 0.628 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.731 0.654 -0.973 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -1.592 -1.110 -2.687 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -3.664 -0.159 0.915 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -3.657 -2.039 -3.629 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -5.731 -1.088 -0.032 1.00 15.00 H new ATOM 0 HH TYR A 447 -6.698 -2.060 -1.767 1.00 15.00 H new ATOM 263 N TYR A 448 2.158 -0.699 -0.096 1.00 15.00 N ATOM 264 CA TYR A 448 3.476 -0.201 0.249 1.00 15.00 C ATOM 265 C TYR A 448 3.971 0.768 -0.816 1.00 15.00 C ATOM 266 O TYR A 448 4.055 0.424 -1.991 1.00 15.00 O ATOM 267 CB TYR A 448 4.450 -1.376 0.394 1.00 15.00 C ATOM 268 CG TYR A 448 5.868 -0.975 0.738 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.201 -0.553 2.019 1.00 15.00 C ATOM 270 CD2 TYR A 448 6.877 -1.030 -0.217 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.497 -0.195 2.339 1.00 15.00 C ATOM 272 CE2 TYR A 448 8.175 -0.672 0.094 1.00 15.00 C ATOM 273 CZ TYR A 448 8.479 -0.256 1.372 1.00 15.00 C ATOM 274 OH TYR A 448 9.774 0.096 1.690 1.00 15.00 O ATOM 0 H TYR A 448 2.128 -1.250 -0.954 1.00 15.00 H new ATOM 0 HA TYR A 448 3.418 0.332 1.198 1.00 15.00 H new ATOM 0 HB2 TYR A 448 4.078 -2.047 1.168 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.461 -1.940 -0.539 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.434 -0.504 2.778 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.642 -1.358 -1.219 1.00 15.00 H new ATOM 0 HE1 TYR A 448 7.739 0.130 3.340 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.947 -0.718 -0.660 1.00 15.00 H new ATOM 0 HH TYR A 448 10.344 -0.003 0.899 1.00 15.00 H new ATOM 284 N ASN A 449 4.306 1.973 -0.395 1.00 15.00 N ATOM 285 CA ASN A 449 4.868 2.966 -1.290 1.00 15.00 C ATOM 286 C ASN A 449 6.378 2.816 -1.286 1.00 15.00 C ATOM 287 O ASN A 449 7.028 3.085 -0.275 1.00 15.00 O ATOM 288 CB ASN A 449 4.490 4.382 -0.839 1.00 15.00 C ATOM 289 CG ASN A 449 4.927 5.446 -1.827 1.00 15.00 C ATOM 290 OD1 ASN A 449 6.095 5.813 -1.884 1.00 15.00 O ATOM 291 ND2 ASN A 449 3.985 5.981 -2.586 1.00 15.00 N ATOM 0 H ASN A 449 4.197 2.289 0.569 1.00 15.00 H new ATOM 0 HA ASN A 449 4.472 2.812 -2.294 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.410 4.440 -0.703 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.945 4.584 0.131 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.221 6.723 -3.245 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.023 5.651 -2.513 1.00 15.00 H new ATOM 298 N ASN A 450 6.923 2.363 -2.406 1.00 15.00 N ATOM 299 CA ASN A 450 8.344 2.035 -2.494 1.00 15.00 C ATOM 300 C ASN A 450 9.207 3.294 -2.517 1.00 15.00 C ATOM 301 O ASN A 450 10.416 3.233 -2.321 1.00 15.00 O ATOM 302 CB ASN A 450 8.611 1.177 -3.742 1.00 15.00 C ATOM 303 CG ASN A 450 10.032 0.645 -3.809 1.00 15.00 C ATOM 304 OD1 ASN A 450 10.341 -0.399 -3.235 1.00 15.00 O ATOM 305 ND2 ASN A 450 10.900 1.335 -4.532 1.00 15.00 N ATOM 0 H ASN A 450 6.403 2.213 -3.271 1.00 15.00 H new ATOM 0 HA ASN A 450 8.615 1.465 -1.605 1.00 15.00 H new ATOM 0 HB2 ASN A 450 7.915 0.338 -3.754 1.00 15.00 H new ATOM 0 HB3 ASN A 450 8.410 1.771 -4.633 1.00 15.00 H new ATOM 0 HD21 ASN A 450 11.861 1.005 -4.627 1.00 15.00 H new ATOM 0 HD22 ASN A 450 10.608 2.196 -4.994 1.00 15.00 H new ATOM 312 N ARG A 451 8.577 4.435 -2.743 1.00 15.00 N ATOM 313 CA ARG A 451 9.304 5.688 -2.840 1.00 15.00 C ATOM 314 C ARG A 451 9.548 6.293 -1.460 1.00 15.00 C ATOM 315 O ARG A 451 10.670 6.684 -1.135 1.00 15.00 O ATOM 316 CB ARG A 451 8.547 6.675 -3.733 1.00 15.00 C ATOM 317 CG ARG A 451 9.251 8.010 -3.898 1.00 15.00 C ATOM 318 CD ARG A 451 10.566 7.854 -4.644 1.00 15.00 C ATOM 319 NE ARG A 451 11.327 9.103 -4.670 1.00 15.00 N ATOM 320 CZ ARG A 451 11.793 9.673 -5.782 1.00 15.00 C ATOM 321 NH1 ARG A 451 11.550 9.126 -6.965 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 12.513 10.783 -5.710 1.00 15.00 N ATOM 0 H ARG A 451 7.567 4.519 -2.862 1.00 15.00 H new ATOM 0 HA ARG A 451 10.275 5.481 -3.291 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.403 6.226 -4.716 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.556 6.846 -3.312 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.604 8.700 -4.439 1.00 15.00 H new ATOM 0 HG3 ARG A 451 9.437 8.449 -2.918 1.00 15.00 H new ATOM 0 HD2 ARG A 451 11.163 7.075 -4.170 1.00 15.00 H new ATOM 0 HD3 ARG A 451 10.368 7.527 -5.665 1.00 15.00 H new ATOM 0 HE ARG A 451 11.513 9.567 -3.781 1.00 15.00 H new ATOM 0 HH11 ARG A 451 11.005 8.266 -7.027 1.00 15.00 H new ATOM 0 HH12 ARG A 451 11.908 9.565 -7.813 1.00 15.00 H new ATOM 0 HH21 ARG A 451 12.712 11.204 -4.802 1.00 15.00 H new ATOM 0 HH22 ARG A 451 12.868 11.217 -6.562 1.00 15.00 H new ATOM 336 N THR A 452 8.499 6.384 -0.655 1.00 15.00 N ATOM 337 CA THR A 452 8.610 6.984 0.667 1.00 15.00 C ATOM 338 C THR A 452 8.671 5.925 1.764 1.00 15.00 C ATOM 339 O THR A 452 8.763 6.254 2.947 1.00 15.00 O ATOM 340 CB THR A 452 7.435 7.941 0.941 1.00 15.00 C ATOM 341 OG1 THR A 452 6.194 7.284 0.652 1.00 15.00 O ATOM 342 CG2 THR A 452 7.556 9.203 0.098 1.00 15.00 C ATOM 0 H THR A 452 7.565 6.051 -0.893 1.00 15.00 H new ATOM 0 HA THR A 452 9.542 7.549 0.680 1.00 15.00 H new ATOM 0 HB THR A 452 7.461 8.224 1.993 1.00 15.00 H new ATOM 0 HG1 THR A 452 6.209 6.948 -0.268 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.715 9.863 0.309 1.00 15.00 H new ATOM 0 HG22 THR A 452 8.488 9.714 0.340 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.552 8.936 -0.959 1.00 15.00 H new ATOM 350 N LEU A 453 8.620 4.653 1.358 1.00 15.00 N ATOM 351 CA LEU A 453 8.695 3.520 2.290 1.00 15.00 C ATOM 352 C LEU A 453 7.483 3.489 3.220 1.00 15.00 C ATOM 353 O LEU A 453 7.541 2.937 4.319 1.00 15.00 O ATOM 354 CB LEU A 453 9.994 3.563 3.110 1.00 15.00 C ATOM 355 CG LEU A 453 11.262 3.091 2.383 1.00 15.00 C ATOM 356 CD1 LEU A 453 11.677 4.066 1.289 1.00 15.00 C ATOM 357 CD2 LEU A 453 12.393 2.896 3.380 1.00 15.00 C ATOM 0 H LEU A 453 8.526 4.379 0.380 1.00 15.00 H new ATOM 0 HA LEU A 453 8.694 2.607 1.695 1.00 15.00 H new ATOM 0 HB2 LEU A 453 10.153 4.587 3.449 1.00 15.00 H new ATOM 0 HB3 LEU A 453 9.859 2.949 4.001 1.00 15.00 H new ATOM 0 HG LEU A 453 11.040 2.137 1.905 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.578 3.699 0.797 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.874 4.155 0.557 1.00 15.00 H new ATOM 0 HD13 LEU A 453 11.877 5.043 1.729 1.00 15.00 H new ATOM 0 HD21 LEU A 453 13.287 2.561 2.855 1.00 15.00 H new ATOM 0 HD22 LEU A 453 12.600 3.840 3.884 1.00 15.00 H new ATOM 0 HD23 LEU A 453 12.103 2.147 4.117 1.00 15.00 H new ATOM 369 N GLU A 454 6.367 4.014 2.737 1.00 15.00 N ATOM 370 CA GLU A 454 5.155 4.113 3.544 1.00 15.00 C ATOM 371 C GLU A 454 4.299 2.862 3.395 1.00 15.00 C ATOM 372 O GLU A 454 3.860 2.534 2.298 1.00 15.00 O ATOM 373 CB GLU A 454 4.344 5.347 3.143 1.00 15.00 C ATOM 374 CG GLU A 454 4.990 6.664 3.544 1.00 15.00 C ATOM 375 CD GLU A 454 5.089 6.827 5.046 1.00 15.00 C ATOM 376 OE1 GLU A 454 4.090 7.249 5.669 1.00 15.00 O1- ATOM 377 OE2 GLU A 454 6.164 6.540 5.613 1.00 15.00 O ATOM 0 H GLU A 454 6.273 4.379 1.789 1.00 15.00 H new ATOM 0 HA GLU A 454 5.454 4.208 4.588 1.00 15.00 H new ATOM 0 HB2 GLU A 454 4.198 5.339 2.063 1.00 15.00 H new ATOM 0 HB3 GLU A 454 3.356 5.284 3.599 1.00 15.00 H new ATOM 0 HG2 GLU A 454 5.988 6.723 3.109 1.00 15.00 H new ATOM 0 HG3 GLU A 454 4.412 7.490 3.129 1.00 15.00 H new ATOM 384 N SER A 455 4.061 2.171 4.495 1.00 15.00 N ATOM 385 CA SER A 455 3.272 0.950 4.471 1.00 15.00 C ATOM 386 C SER A 455 1.994 1.116 5.290 1.00 15.00 C ATOM 387 O SER A 455 2.044 1.457 6.474 1.00 15.00 O ATOM 388 CB SER A 455 4.115 -0.216 4.995 1.00 15.00 C ATOM 389 OG SER A 455 4.897 0.179 6.111 1.00 15.00 O ATOM 0 H SER A 455 4.403 2.434 5.419 1.00 15.00 H new ATOM 0 HA SER A 455 2.978 0.735 3.444 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.462 -1.042 5.279 1.00 15.00 H new ATOM 0 HB3 SER A 455 4.767 -0.583 4.202 1.00 15.00 H new ATOM 0 HG SER A 455 5.424 -0.584 6.427 1.00 15.00 H new ATOM 395 N THR A 456 0.851 0.876 4.656 1.00 15.00 N ATOM 396 CA THR A 456 -0.436 1.069 5.307 1.00 15.00 C ATOM 397 C THR A 456 -1.384 -0.102 5.034 1.00 15.00 C ATOM 398 O THR A 456 -1.329 -0.725 3.971 1.00 15.00 O ATOM 399 CB THR A 456 -1.092 2.392 4.845 1.00 15.00 C ATOM 400 OG1 THR A 456 -2.412 2.519 5.392 1.00 15.00 O ATOM 401 CG2 THR A 456 -1.157 2.474 3.325 1.00 15.00 C ATOM 0 H THR A 456 0.792 0.548 3.692 1.00 15.00 H new ATOM 0 HA THR A 456 -0.252 1.118 6.380 1.00 15.00 H new ATOM 0 HB THR A 456 -0.473 3.211 5.210 1.00 15.00 H new ATOM 0 HG1 THR A 456 -3.075 2.369 4.686 1.00 15.00 H new ATOM 0 HG21 THR A 456 -1.623 3.415 3.031 1.00 15.00 H new ATOM 0 HG22 THR A 456 -0.148 2.425 2.915 1.00 15.00 H new ATOM 0 HG23 THR A 456 -1.746 1.642 2.941 1.00 15.00 H new ATOM 409 N TRP A 457 -2.237 -0.406 6.012 1.00 15.00 N ATOM 410 CA TRP A 457 -3.249 -1.447 5.859 1.00 15.00 C ATOM 411 C TRP A 457 -4.578 -0.826 5.439 1.00 15.00 C ATOM 412 O TRP A 457 -5.518 -1.527 5.056 1.00 15.00 O ATOM 413 CB TRP A 457 -3.428 -2.235 7.163 1.00 15.00 C ATOM 414 CG TRP A 457 -2.190 -2.962 7.599 1.00 15.00 C ATOM 415 CD1 TRP A 457 -1.247 -2.518 8.479 1.00 15.00 C ATOM 416 CD2 TRP A 457 -1.761 -4.264 7.174 1.00 15.00 C ATOM 417 NE1 TRP A 457 -0.260 -3.462 8.630 1.00 15.00 N ATOM 418 CE2 TRP A 457 -0.552 -4.541 7.838 1.00 15.00 C ATOM 419 CE3 TRP A 457 -2.284 -5.220 6.299 1.00 15.00 C ATOM 420 CZ2 TRP A 457 0.142 -5.734 7.651 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -1.593 -6.404 6.115 1.00 15.00 C ATOM 422 CH2 TRP A 457 -0.391 -6.652 6.790 1.00 15.00 C ATOM 0 H TRP A 457 -2.246 0.057 6.921 1.00 15.00 H new ATOM 0 HA TRP A 457 -2.914 -2.138 5.085 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -3.734 -1.549 7.953 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -4.236 -2.955 7.035 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -1.272 -1.563 8.984 1.00 15.00 H new ATOM 0 HE1 TRP A 457 0.557 -3.374 9.234 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -3.211 -5.038 5.776 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 1.070 -5.927 8.169 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.987 -7.149 5.440 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.125 -7.587 6.627 1.00 15.00 H new ATOM 433 N GLU A 458 -4.647 0.494 5.539 1.00 15.00 N ATOM 434 CA GLU A 458 -5.810 1.251 5.098 1.00 15.00 C ATOM 435 C GLU A 458 -5.541 1.791 3.699 1.00 15.00 C ATOM 436 O GLU A 458 -4.402 2.135 3.378 1.00 15.00 O ATOM 437 CB GLU A 458 -6.090 2.398 6.080 1.00 15.00 C ATOM 438 CG GLU A 458 -7.221 3.333 5.659 1.00 15.00 C ATOM 439 CD GLU A 458 -8.551 2.627 5.482 1.00 15.00 C ATOM 440 OE1 GLU A 458 -9.272 2.442 6.485 1.00 15.00 O1- ATOM 441 OE2 GLU A 458 -8.893 2.267 4.336 1.00 15.00 O ATOM 0 H GLU A 458 -3.900 1.069 5.927 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.689 0.607 5.071 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -6.331 1.974 7.055 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -5.179 2.984 6.204 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -7.331 4.118 6.407 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -6.950 3.821 4.723 1.00 15.00 H new ATOM 448 N LYS A 459 -6.583 1.882 2.886 1.00 15.00 N ATOM 449 CA LYS A 459 -6.438 2.299 1.498 1.00 15.00 C ATOM 450 C LYS A 459 -5.983 3.751 1.405 1.00 15.00 C ATOM 451 O LYS A 459 -6.642 4.649 1.929 1.00 15.00 O ATOM 452 CB LYS A 459 -7.755 2.139 0.729 1.00 15.00 C ATOM 453 CG LYS A 459 -8.160 0.699 0.444 1.00 15.00 C ATOM 454 CD LYS A 459 -8.758 0.017 1.663 1.00 15.00 C ATOM 455 CE LYS A 459 -9.353 -1.336 1.304 1.00 15.00 C ATOM 456 NZ LYS A 459 -8.329 -2.273 0.776 1.00 15.00 N1+ ATOM 0 H LYS A 459 -7.542 1.672 3.164 1.00 15.00 H new ATOM 0 HA LYS A 459 -5.681 1.655 1.050 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -8.551 2.619 1.297 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -7.673 2.672 -0.218 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -8.884 0.682 -0.371 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -7.288 0.138 0.108 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -7.988 -0.112 2.424 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -9.530 0.653 2.096 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -9.822 -1.771 2.187 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -10.138 -1.201 0.560 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -8.759 -3.208 0.624 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -7.959 -1.911 -0.126 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -7.550 -2.358 1.460 1.00 15.00 H new ATOM 470 N PRO A 460 -4.844 3.990 0.736 1.00 15.00 N ATOM 471 CA PRO A 460 -4.388 5.343 0.407 1.00 15.00 C ATOM 472 C PRO A 460 -5.431 6.062 -0.422 1.00 15.00 C ATOM 473 O PRO A 460 -6.191 5.427 -1.143 1.00 15.00 O ATOM 474 CB PRO A 460 -3.120 5.105 -0.420 1.00 15.00 C ATOM 475 CG PRO A 460 -2.665 3.743 -0.037 1.00 15.00 C ATOM 476 CD PRO A 460 -3.913 2.962 0.249 1.00 15.00 C ATOM 0 HA PRO A 460 -4.212 5.960 1.288 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.328 5.167 -1.488 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.358 5.853 -0.200 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -2.091 3.282 -0.840 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.017 3.779 0.838 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -4.292 2.466 -0.644 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.741 2.187 0.996 1.00 15.00 H new ATOM 484 N GLN A 461 -5.438 7.377 -0.342 1.00 15.00 N ATOM 485 CA GLN A 461 -6.455 8.189 -1.012 1.00 15.00 C ATOM 486 C GLN A 461 -6.500 7.920 -2.520 1.00 15.00 C ATOM 487 O GLN A 461 -7.534 8.096 -3.160 1.00 15.00 O ATOM 488 CB GLN A 461 -6.197 9.674 -0.751 1.00 15.00 C ATOM 489 CG GLN A 461 -7.266 10.600 -1.312 1.00 15.00 C ATOM 490 CD GLN A 461 -6.923 12.065 -1.124 1.00 15.00 C ATOM 491 OE1 GLN A 461 -7.807 12.906 -0.976 1.00 15.00 O ATOM 492 NE2 GLN A 461 -5.636 12.382 -1.140 1.00 15.00 N ATOM 0 H GLN A 461 -4.749 7.917 0.182 1.00 15.00 H new ATOM 0 HA GLN A 461 -7.424 7.910 -0.599 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.121 9.835 0.324 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.234 9.945 -1.183 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -7.399 10.395 -2.374 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -8.218 10.388 -0.825 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -4.933 11.654 -1.265 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -5.349 13.354 -1.027 1.00 15.00 H new ATOM 501 N GLU A 462 -5.372 7.502 -3.083 1.00 15.00 N ATOM 502 CA GLU A 462 -5.291 7.202 -4.510 1.00 15.00 C ATOM 503 C GLU A 462 -5.940 5.858 -4.837 1.00 15.00 C ATOM 504 O GLU A 462 -6.133 5.519 -6.006 1.00 15.00 O ATOM 505 CB GLU A 462 -3.833 7.184 -4.972 1.00 15.00 C ATOM 506 CG GLU A 462 -3.079 8.466 -4.679 1.00 15.00 C ATOM 507 CD GLU A 462 -2.261 8.402 -3.404 1.00 15.00 C ATOM 508 OE1 GLU A 462 -2.850 8.456 -2.303 1.00 15.00 O1- ATOM 509 OE2 GLU A 462 -1.016 8.302 -3.499 1.00 15.00 O ATOM 0 H GLU A 462 -4.499 7.363 -2.573 1.00 15.00 H new ATOM 0 HA GLU A 462 -5.832 7.987 -5.038 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -3.319 6.353 -4.488 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -3.805 6.995 -6.045 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -2.418 8.690 -5.516 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -3.790 9.289 -4.606 1.00 15.00 H new ATOM 516 N LEU A 463 -6.250 5.098 -3.803 1.00 15.00 N ATOM 517 CA LEU A 463 -6.830 3.763 -3.955 1.00 15.00 C ATOM 518 C LEU A 463 -8.004 3.553 -3.000 1.00 15.00 C ATOM 519 O LEU A 463 -8.484 2.428 -2.832 1.00 15.00 O ATOM 520 CB LEU A 463 -5.758 2.703 -3.681 1.00 15.00 C ATOM 521 CG LEU A 463 -4.701 2.547 -4.772 1.00 15.00 C ATOM 522 CD1 LEU A 463 -3.588 1.620 -4.311 1.00 15.00 C ATOM 523 CD2 LEU A 463 -5.342 2.016 -6.042 1.00 15.00 C ATOM 0 H LEU A 463 -6.110 5.382 -2.833 1.00 15.00 H new ATOM 0 HA LEU A 463 -7.199 3.670 -4.977 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -5.257 2.950 -2.745 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -6.250 1.742 -3.535 1.00 15.00 H new ATOM 0 HG LEU A 463 -4.265 3.525 -4.979 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -2.845 1.522 -5.102 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -3.116 2.033 -3.419 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -4.004 0.639 -4.080 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -4.582 1.907 -6.815 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -5.797 1.046 -5.842 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -6.108 2.713 -6.382 1.00 15.00 H new ATOM 535 N LYS A 464 -8.477 4.638 -2.404 1.00 15.00 N ATOM 536 CA LYS A 464 -9.507 4.567 -1.375 1.00 15.00 C ATOM 537 C LYS A 464 -10.856 4.189 -1.976 1.00 15.00 C ATOM 538 O LYS A 464 -11.414 4.986 -2.755 1.00 15.00 O ATOM 539 CB LYS A 464 -9.602 5.897 -0.623 1.00 15.00 C ATOM 540 CG LYS A 464 -10.574 5.875 0.549 1.00 15.00 C ATOM 541 CD LYS A 464 -10.256 4.745 1.518 1.00 15.00 C ATOM 542 CE LYS A 464 -11.208 4.746 2.703 1.00 15.00 C ATOM 543 NZ LYS A 464 -11.107 3.498 3.506 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -11.355 3.090 -1.660 1.00 15.00 O ATOM 0 H LYS A 464 -8.162 5.585 -2.617 1.00 15.00 H new ATOM 0 HA LYS A 464 -9.227 3.788 -0.666 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -8.612 6.167 -0.256 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -9.907 6.677 -1.321 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -10.533 6.829 1.075 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -11.592 5.760 0.176 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -10.321 3.789 0.998 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -9.230 4.846 1.873 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -10.992 5.604 3.340 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -12.231 4.864 2.345 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -11.400 3.690 4.485 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -11.726 2.770 3.096 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -10.124 3.159 3.499 1.00 15.00 H new TER 558 LYS A 464