USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 746 hydrogens (6 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 NoAdj-H: B 584 TPO H2 : B 584 TPO N : B 583 ASP C :(H bumps) USER MOD NoAdj-H: B 584 TPO H : B 584 TPO N : B 583 ASP C :(H bumps) USER MOD Set 1.1: A 470 THR OG1 : rot 111:sc= 0.561 USER MOD Set 1.2: A 471 LYS NZ :NH3+ 155:sc= 0.871 (180deg=-0.75) USER MOD Set 2.1: A 462 TYR OH : rot 159:sc= 1.83 USER MOD Set 2.2: A 476 LYS NZ :NH3+ -127:sc= 1.4 (180deg=0.382) USER MOD Single : A 453 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot -62:sc= -0.653! USER MOD Single : A 466 LYS NZ :NH3+ 161:sc= -1.54 (180deg=-2.43!) USER MOD Single : A 468 MET CE :methyl -154:sc= -9.21! (180deg=-12.7!) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0.571 USER MOD Single : A 475 LYS NZ :NH3+ 145:sc= -0.375 (180deg=-3.17!) USER MOD Single : A 478 GLN : amide:sc= -0.056 X(o=-0.056,f=0) USER MOD Single : A 479 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0857) USER MOD Single : A 482 THR OG1 : rot 140:sc= -0.132 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0.00367 USER MOD Single : A 488 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 489 THR OG1 : rot 91:sc= 0.238 USER MOD Single : A 491 ASN : amide:sc=-0.00206 X(o=-0.0021,f=0) USER MOD Single : A 495 GLN : amide:sc= -5.43! C(o=-5.4!,f=-7.7!) USER MOD Single : A 498 LYS NZ :NH3+ 170:sc= -3.35! (180deg=-3.77!) USER MOD Single : A 501 ASN : amide:sc= -1.19 K(o=-1.2,f=-1.9!) USER MOD Single : A 505 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00486) USER MOD Single : A 506 MET CE :methyl 169:sc= -2.17 (180deg=-2.48!) USER MOD Single : A 508 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 137:sc= -0.754 (180deg=-1.02) USER MOD Single : A 511 MET CE :methyl -151:sc= -1.28 (180deg=-2.09) USER MOD Single : A 512 HIS : no HE2:sc= -9.41! C(o=-9.4!,f=-12!) USER MOD Single : A 514 SER OG : rot 130:sc= -2.81 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS :FLIP no HD1:sc= -6.12! C(o=-8.2!,f=-6.1!) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU B 582 3.496 -6.016 21.997 1.00 0.00 N ATOM 2 CA GLU B 582 2.175 -6.298 22.619 1.00 0.00 C ATOM 3 C GLU B 582 1.188 -5.161 22.365 1.00 0.00 C ATOM 4 O GLU B 582 0.079 -5.388 21.883 1.00 0.00 O ATOM 5 CB GLU B 582 2.373 -6.502 24.124 1.00 0.00 C ATOM 6 CG GLU B 582 3.263 -5.454 24.773 1.00 0.00 C ATOM 7 CD GLU B 582 3.795 -5.897 26.122 1.00 0.00 C ATOM 8 OE1 GLU B 582 2.975 -6.195 27.016 1.00 0.00 O ATOM 9 OE2 GLU B 582 5.032 -5.948 26.284 1.00 0.00 O ATOM 0 HA GLU B 582 1.757 -7.200 22.171 1.00 0.00 H new ATOM 0 HB2 GLU B 582 1.399 -6.492 24.614 1.00 0.00 H new ATOM 0 HB3 GLU B 582 2.805 -7.488 24.294 1.00 0.00 H new ATOM 0 HG2 GLU B 582 4.100 -5.233 24.111 1.00 0.00 H new ATOM 0 HG3 GLU B 582 2.700 -4.529 24.894 1.00 0.00 H new ATOM 18 N ASP B 583 1.598 -3.939 22.692 1.00 0.00 N ATOM 19 CA ASP B 583 0.747 -2.771 22.499 1.00 0.00 C ATOM 20 C ASP B 583 0.504 -2.512 21.015 1.00 0.00 C ATOM 21 O ASP B 583 1.095 -1.605 20.427 1.00 0.00 O ATOM 22 CB ASP B 583 1.383 -1.539 23.147 1.00 0.00 C ATOM 23 CG ASP B 583 1.592 -1.713 24.638 1.00 0.00 C ATOM 24 OD1 ASP B 583 2.634 -2.281 25.030 1.00 0.00 O ATOM 25 OD2 ASP B 583 0.713 -1.284 25.415 1.00 0.00 O ATOM 0 H ASP B 583 2.514 -3.733 23.091 1.00 0.00 H new ATOM 0 HA ASP B 583 -0.213 -2.969 22.975 1.00 0.00 H new ATOM 0 HB2 ASP B 583 2.342 -1.335 22.670 1.00 0.00 H new ATOM 0 HB3 ASP B 583 0.748 -0.671 22.971 1.00 0.00 H new HETATM 30 N TPO B 584 -0.371 -3.313 20.415 1.00 0.00 N HETATM 31 CA TPO B 584 -0.699 -3.174 19.000 1.00 0.00 C HETATM 32 CB TPO B 584 -1.501 -1.891 18.769 1.00 0.00 C HETATM 33 CG2 TPO B 584 -1.728 -1.575 17.301 1.00 0.00 C HETATM 34 OG1 TPO B 584 -2.769 -2.010 19.418 1.00 0.00 O HETATM 35 P TPO B 584 -3.179 -0.543 19.945 1.00 0.00 P HETATM 36 O1P TPO B 584 -2.993 0.444 18.857 1.00 0.00 O HETATM 37 O2P TPO B 584 -4.722 -0.549 20.403 1.00 0.00 O HETATM 38 O3P TPO B 584 -2.248 -0.143 21.196 1.00 0.00 O HETATM 39 C TPO B 584 0.573 -3.148 18.151 1.00 0.00 C HETATM 40 O TPO B 584 0.906 -2.129 17.545 1.00 0.00 O HETATM 0 HG23 TPO B 584 -0.767 -1.453 16.802 1.00 0.00 H new HETATM 0 HG22 TPO B 584 -2.278 -2.392 16.834 1.00 0.00 H new HETATM 0 HG21 TPO B 584 -2.303 -0.653 17.212 1.00 0.00 H new HETATM 0 HB TPO B 584 -0.913 -1.072 19.184 1.00 0.00 H new HETATM 0 HA TPO B 584 -1.301 -4.033 18.702 1.00 0.00 H new ATOM 47 N ASP B 585 1.280 -4.272 18.106 1.00 0.00 N ATOM 48 CA ASP B 585 2.501 -4.358 17.327 1.00 0.00 C ATOM 49 C ASP B 585 2.204 -4.823 15.903 1.00 0.00 C ATOM 50 O ASP B 585 2.847 -5.738 15.390 1.00 0.00 O ATOM 51 CB ASP B 585 3.494 -5.312 17.995 1.00 0.00 C ATOM 52 CG ASP B 585 4.874 -5.240 17.371 1.00 0.00 C ATOM 53 OD1 ASP B 585 5.421 -4.123 17.269 1.00 0.00 O ATOM 54 OD2 ASP B 585 5.407 -6.302 16.987 1.00 0.00 O ATOM 0 H ASP B 585 1.027 -5.129 18.598 1.00 0.00 H new ATOM 0 HA ASP B 585 2.944 -3.363 17.280 1.00 0.00 H new ATOM 0 HB2 ASP B 585 3.565 -5.073 19.056 1.00 0.00 H new ATOM 0 HB3 ASP B 585 3.118 -6.333 17.922 1.00 0.00 H new ATOM 59 N GLU B 586 1.232 -4.174 15.269 1.00 0.00 N ATOM 60 CA GLU B 586 0.851 -4.503 13.906 1.00 0.00 C ATOM 61 C GLU B 586 1.722 -3.753 12.907 1.00 0.00 C ATOM 62 O GLU B 586 2.212 -4.325 11.939 1.00 0.00 O ATOM 63 CB GLU B 586 -0.627 -4.180 13.666 1.00 0.00 C ATOM 64 CG GLU B 586 -0.974 -2.711 13.845 1.00 0.00 C ATOM 65 CD GLU B 586 -0.810 -1.912 12.567 1.00 0.00 C ATOM 66 OE1 GLU B 586 -0.856 -2.521 11.477 1.00 0.00 O ATOM 67 OE2 GLU B 586 -0.634 -0.679 12.655 1.00 0.00 O ATOM 0 H GLU B 586 0.693 -3.413 15.683 1.00 0.00 H new ATOM 0 HA GLU B 586 1.001 -5.573 13.762 1.00 0.00 H new ATOM 0 HB2 GLU B 586 -0.896 -4.486 12.655 1.00 0.00 H new ATOM 0 HB3 GLU B 586 -1.234 -4.773 14.351 1.00 0.00 H new ATOM 0 HG2 GLU B 586 -2.003 -2.625 14.193 1.00 0.00 H new ATOM 0 HG3 GLU B 586 -0.338 -2.283 14.620 1.00 0.00 H new ATOM 74 N ASP B 587 1.909 -2.464 13.155 1.00 0.00 N ATOM 75 CA ASP B 587 2.713 -1.618 12.282 1.00 0.00 C ATOM 76 C ASP B 587 4.103 -2.204 12.050 1.00 0.00 C ATOM 77 O ASP B 587 4.768 -1.876 11.068 1.00 0.00 O ATOM 78 CB ASP B 587 2.827 -0.216 12.877 1.00 0.00 C ATOM 79 CG ASP B 587 2.696 0.871 11.829 1.00 0.00 C ATOM 80 OD1 ASP B 587 3.696 1.150 11.135 1.00 0.00 O ATOM 81 OD2 ASP B 587 1.592 1.443 11.702 1.00 0.00 O ATOM 0 H ASP B 587 1.512 -1.978 13.959 1.00 0.00 H new ATOM 0 HA ASP B 587 2.212 -1.564 11.316 1.00 0.00 H new ATOM 0 HB2 ASP B 587 2.054 -0.082 13.634 1.00 0.00 H new ATOM 0 HB3 ASP B 587 3.788 -0.116 13.382 1.00 0.00 H new ATOM 86 N ASP B 588 4.543 -3.064 12.961 1.00 0.00 N ATOM 87 CA ASP B 588 5.859 -3.685 12.850 1.00 0.00 C ATOM 88 C ASP B 588 6.069 -4.297 11.471 1.00 0.00 C ATOM 89 O ASP B 588 7.118 -4.116 10.851 1.00 0.00 O ATOM 90 CB ASP B 588 6.037 -4.755 13.930 1.00 0.00 C ATOM 91 CG ASP B 588 5.060 -5.905 13.774 1.00 0.00 C ATOM 92 OD1 ASP B 588 3.968 -5.685 13.208 1.00 0.00 O ATOM 93 OD2 ASP B 588 5.387 -7.026 14.218 1.00 0.00 O ATOM 0 H ASP B 588 4.010 -3.347 13.783 1.00 0.00 H new ATOM 0 HA ASP B 588 6.607 -2.905 12.993 1.00 0.00 H new ATOM 0 HB2 ASP B 588 7.056 -5.140 13.891 1.00 0.00 H new ATOM 0 HB3 ASP B 588 5.905 -4.301 14.912 1.00 0.00 H new ATOM 98 N HIS B 589 5.067 -5.018 10.998 1.00 0.00 N ATOM 99 CA HIS B 589 5.129 -5.657 9.699 1.00 0.00 C ATOM 100 C HIS B 589 4.827 -4.668 8.579 1.00 0.00 C ATOM 101 O HIS B 589 5.203 -4.884 7.426 1.00 0.00 O ATOM 102 CB HIS B 589 4.151 -6.826 9.651 1.00 0.00 C ATOM 103 CG HIS B 589 2.751 -6.475 10.056 1.00 0.00 C ATOM 104 ND1 HIS B 589 1.932 -5.472 9.656 1.00 0.00 N flip ATOM 105 CD2 HIS B 589 2.030 -7.213 10.971 1.00 0.00 C flip ATOM 106 CE1 HIS B 589 0.745 -5.625 10.327 1.00 0.00 C flip ATOM 107 NE2 HIS B 589 0.829 -6.681 11.114 1.00 0.00 N flip ATOM 0 H HIS B 589 4.194 -5.175 11.501 1.00 0.00 H new ATOM 0 HA HIS B 589 6.143 -6.028 9.549 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.134 -7.229 8.638 1.00 0.00 H new ATOM 0 HB3 HIS B 589 4.518 -7.619 10.303 1.00 0.00 H new ATOM 0 HD2 HIS B 589 2.391 -8.089 11.490 1.00 0.00 H new ATOM 0 HE1 HIS B 589 -0.119 -4.984 10.227 1.00 0.00 H new ATOM 0 HE2 HIS B 589 0.092 -7.028 11.728 1.00 0.00 H new ATOM 116 N LEU B 590 4.145 -3.589 8.927 1.00 0.00 N ATOM 117 CA LEU B 590 3.781 -2.561 7.962 1.00 0.00 C ATOM 118 C LEU B 590 5.017 -1.863 7.402 1.00 0.00 C ATOM 119 O LEU B 590 5.002 -1.357 6.282 1.00 0.00 O ATOM 120 CB LEU B 590 2.849 -1.540 8.617 1.00 0.00 C ATOM 121 CG LEU B 590 2.570 -0.284 7.792 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.659 -0.606 6.617 1.00 0.00 C ATOM 123 CD2 LEU B 590 1.957 0.795 8.670 1.00 0.00 C ATOM 0 H LEU B 590 3.830 -3.400 9.878 1.00 0.00 H new ATOM 0 HA LEU B 590 3.264 -3.042 7.131 1.00 0.00 H new ATOM 0 HB2 LEU B 590 1.900 -2.028 8.837 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.281 -1.239 9.571 1.00 0.00 H new ATOM 0 HG LEU B 590 3.514 0.089 7.395 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.472 0.301 6.042 1.00 0.00 H new ATOM 0 HD12 LEU B 590 2.138 -1.348 5.978 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.713 -1.002 6.988 1.00 0.00 H new ATOM 0 HD21 LEU B 590 1.763 1.685 8.071 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.021 0.431 9.093 1.00 0.00 H new ATOM 0 HD23 LEU B 590 2.647 1.044 9.476 1.00 0.00 H new ATOM 135 N ILE B 591 6.076 -1.805 8.197 1.00 0.00 N ATOM 136 CA ILE B 591 7.297 -1.139 7.778 1.00 0.00 C ATOM 137 C ILE B 591 8.226 -2.053 6.965 1.00 0.00 C ATOM 138 O ILE B 591 8.940 -1.575 6.083 1.00 0.00 O ATOM 139 CB ILE B 591 8.053 -0.554 8.988 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.207 0.538 9.649 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.407 0.004 8.570 1.00 0.00 C ATOM 142 CD1 ILE B 591 7.839 1.124 10.892 1.00 0.00 C ATOM 0 H ILE B 591 6.113 -2.210 9.132 1.00 0.00 H new ATOM 0 HA ILE B 591 6.990 -0.325 7.121 1.00 0.00 H new ATOM 0 HB ILE B 591 8.229 -1.355 9.706 1.00 0.00 H new ATOM 0 HG12 ILE B 591 7.033 1.337 8.929 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.232 0.124 9.908 1.00 0.00 H new ATOM 0 HG21 ILE B 591 9.918 0.410 9.443 1.00 0.00 H new ATOM 0 HG22 ILE B 591 10.010 -0.793 8.134 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.263 0.795 7.833 1.00 0.00 H new ATOM 0 HD11 ILE B 591 7.184 1.891 11.306 1.00 0.00 H new ATOM 0 HD12 ILE B 591 7.988 0.336 11.630 1.00 0.00 H new ATOM 0 HD13 ILE B 591 8.801 1.568 10.636 1.00 0.00 H new ATOM 154 N TYR B 592 8.239 -3.357 7.261 1.00 0.00 N ATOM 155 CA TYR B 592 9.117 -4.276 6.531 1.00 0.00 C ATOM 156 C TYR B 592 8.638 -4.504 5.107 1.00 0.00 C ATOM 157 O TYR B 592 9.442 -4.588 4.180 1.00 0.00 O ATOM 158 CB TYR B 592 9.301 -5.617 7.278 1.00 0.00 C ATOM 159 CG TYR B 592 8.158 -6.611 7.139 1.00 0.00 C ATOM 160 CD1 TYR B 592 7.710 -7.037 5.894 1.00 0.00 C ATOM 161 CD2 TYR B 592 7.524 -7.120 8.262 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.668 -7.929 5.772 1.00 0.00 C ATOM 163 CE2 TYR B 592 6.480 -8.020 8.151 1.00 0.00 C ATOM 164 CZ TYR B 592 6.055 -8.420 6.902 1.00 0.00 C ATOM 165 OH TYR B 592 5.014 -9.313 6.785 1.00 0.00 O ATOM 0 H TYR B 592 7.666 -3.792 7.984 1.00 0.00 H new ATOM 0 HA TYR B 592 10.094 -3.796 6.477 1.00 0.00 H new ATOM 0 HB2 TYR B 592 10.215 -6.090 6.919 1.00 0.00 H new ATOM 0 HB3 TYR B 592 9.447 -5.405 8.337 1.00 0.00 H new ATOM 0 HD1 TYR B 592 8.190 -6.660 5.003 1.00 0.00 H new ATOM 0 HD2 TYR B 592 7.852 -6.808 9.242 1.00 0.00 H new ATOM 0 HE1 TYR B 592 6.333 -8.242 4.794 1.00 0.00 H new ATOM 0 HE2 TYR B 592 6.000 -8.407 9.038 1.00 0.00 H new ATOM 0 HH TYR B 592 4.694 -9.562 7.677 1.00 0.00 H new ATOM 175 N LEU B 593 7.334 -4.609 4.931 1.00 0.00 N ATOM 176 CA LEU B 593 6.776 -4.832 3.606 1.00 0.00 C ATOM 177 C LEU B 593 6.929 -3.577 2.756 1.00 0.00 C ATOM 178 O LEU B 593 6.829 -3.621 1.532 1.00 0.00 O ATOM 179 CB LEU B 593 5.312 -5.299 3.687 1.00 0.00 C ATOM 180 CG LEU B 593 4.235 -4.222 3.523 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.476 -3.085 4.491 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.175 -3.715 2.089 1.00 0.00 C ATOM 0 H LEU B 593 6.645 -4.544 5.680 1.00 0.00 H new ATOM 0 HA LEU B 593 7.333 -5.635 3.123 1.00 0.00 H new ATOM 0 HB2 LEU B 593 5.154 -6.057 2.920 1.00 0.00 H new ATOM 0 HB3 LEU B 593 5.163 -5.785 4.651 1.00 0.00 H new ATOM 0 HG LEU B 593 3.268 -4.670 3.752 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.703 -2.328 4.362 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.446 -3.464 5.512 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.453 -2.643 4.297 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.401 -2.952 2.005 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.139 -3.286 1.814 1.00 0.00 H new ATOM 0 HD23 LEU B 593 3.942 -4.543 1.420 1.00 0.00 H new ATOM 194 N GLU B 594 7.166 -2.453 3.415 1.00 0.00 N ATOM 195 CA GLU B 594 7.333 -1.196 2.717 1.00 0.00 C ATOM 196 C GLU B 594 8.560 -1.234 1.805 1.00 0.00 C ATOM 197 O GLU B 594 8.596 -0.567 0.771 1.00 0.00 O ATOM 198 CB GLU B 594 7.442 -0.041 3.724 1.00 0.00 C ATOM 199 CG GLU B 594 8.871 0.346 4.083 1.00 0.00 C ATOM 200 CD GLU B 594 8.959 1.116 5.386 1.00 0.00 C ATOM 201 OE1 GLU B 594 7.898 1.446 5.955 1.00 0.00 O ATOM 202 OE2 GLU B 594 10.092 1.392 5.836 1.00 0.00 O ATOM 0 H GLU B 594 7.246 -2.390 4.430 1.00 0.00 H new ATOM 0 HA GLU B 594 6.456 -1.032 2.091 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.934 0.832 3.314 1.00 0.00 H new ATOM 0 HB3 GLU B 594 6.913 -0.319 4.636 1.00 0.00 H new ATOM 0 HG2 GLU B 594 9.480 -0.555 4.157 1.00 0.00 H new ATOM 0 HG3 GLU B 594 9.292 0.950 3.280 1.00 0.00 H new ATOM 209 N GLU B 595 9.567 -2.004 2.208 1.00 0.00 N ATOM 210 CA GLU B 595 10.808 -2.112 1.440 1.00 0.00 C ATOM 211 C GLU B 595 10.707 -3.121 0.301 1.00 0.00 C ATOM 212 O GLU B 595 11.168 -2.857 -0.809 1.00 0.00 O ATOM 213 CB GLU B 595 11.988 -2.455 2.356 1.00 0.00 C ATOM 214 CG GLU B 595 11.789 -3.710 3.189 1.00 0.00 C ATOM 215 CD GLU B 595 13.096 -4.413 3.503 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.732 -4.933 2.562 1.00 0.00 O ATOM 217 OE2 GLU B 595 13.483 -4.443 4.690 1.00 0.00 O ATOM 0 H GLU B 595 9.550 -2.563 3.061 1.00 0.00 H new ATOM 0 HA GLU B 595 10.982 -1.135 0.988 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.883 -2.576 1.746 1.00 0.00 H new ATOM 0 HB3 GLU B 595 12.170 -1.614 3.025 1.00 0.00 H new ATOM 0 HG2 GLU B 595 11.288 -3.448 4.121 1.00 0.00 H new ATOM 0 HG3 GLU B 595 11.131 -4.396 2.655 1.00 0.00 H new ATOM 224 N ILE B 596 10.105 -4.269 0.570 1.00 0.00 N ATOM 225 CA ILE B 596 9.955 -5.303 -0.460 1.00 0.00 C ATOM 226 C ILE B 596 9.323 -4.729 -1.718 1.00 0.00 C ATOM 227 O ILE B 596 9.539 -5.225 -2.823 1.00 0.00 O ATOM 228 CB ILE B 596 9.114 -6.506 0.020 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.860 -6.038 0.747 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.938 -7.408 0.920 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.646 -5.945 -0.145 1.00 0.00 C ATOM 0 H ILE B 596 9.714 -4.513 1.480 1.00 0.00 H new ATOM 0 HA ILE B 596 10.962 -5.659 -0.678 1.00 0.00 H new ATOM 0 HB ILE B 596 8.808 -7.075 -0.858 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.647 -6.725 1.566 1.00 0.00 H new ATOM 0 HG13 ILE B 596 8.050 -5.061 1.191 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.328 -8.250 1.248 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.803 -7.779 0.370 1.00 0.00 H new ATOM 0 HG23 ILE B 596 10.276 -6.844 1.789 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.790 -5.606 0.439 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.840 -5.236 -0.950 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.430 -6.926 -0.569 1.00 0.00 H new ATOM 243 N LEU B 597 8.549 -3.674 -1.535 1.00 0.00 N ATOM 244 CA LEU B 597 7.883 -3.010 -2.640 1.00 0.00 C ATOM 245 C LEU B 597 8.875 -2.287 -3.527 1.00 0.00 C ATOM 246 O LEU B 597 9.289 -2.791 -4.570 1.00 0.00 O ATOM 247 CB LEU B 597 6.862 -2.010 -2.099 1.00 0.00 C ATOM 248 CG LEU B 597 6.442 -0.909 -3.080 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.580 -1.481 -4.187 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.707 0.200 -2.348 1.00 0.00 C ATOM 0 H LEU B 597 8.366 -3.256 -0.623 1.00 0.00 H new ATOM 0 HA LEU B 597 7.380 -3.770 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.972 -2.557 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.275 -1.540 -1.206 1.00 0.00 H new ATOM 0 HG LEU B 597 7.340 -0.488 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.292 -0.684 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.142 -2.241 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU B 597 4.685 -1.930 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.416 0.974 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.816 -0.208 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.361 0.631 -1.590 1.00 0.00 H new ATOM 262 N VAL B 598 9.218 -1.087 -3.105 1.00 0.00 N ATOM 263 CA VAL B 598 10.123 -0.247 -3.845 1.00 0.00 C ATOM 264 C VAL B 598 11.001 0.554 -2.900 1.00 0.00 C ATOM 265 O VAL B 598 11.409 1.675 -3.207 1.00 0.00 O ATOM 266 CB VAL B 598 9.346 0.717 -4.762 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.485 -0.048 -5.757 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.491 1.662 -3.934 1.00 0.00 C ATOM 0 H VAL B 598 8.875 -0.671 -2.239 1.00 0.00 H new ATOM 0 HA VAL B 598 10.752 -0.893 -4.458 1.00 0.00 H new ATOM 0 HB VAL B 598 10.070 1.305 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL B 598 7.948 0.657 -6.391 1.00 0.00 H new ATOM 0 HG12 VAL B 598 9.120 -0.682 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.769 -0.668 -5.217 1.00 0.00 H new ATOM 0 HG21 VAL B 598 7.948 2.337 -4.596 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.780 1.085 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.130 2.243 -3.269 1.00 0.00 H new ATOM 278 N ARG B 599 11.278 -0.029 -1.746 1.00 0.00 N ATOM 279 CA ARG B 599 12.099 0.626 -0.743 1.00 0.00 C ATOM 280 C ARG B 599 13.072 -0.358 -0.100 1.00 0.00 C ATOM 281 O ARG B 599 13.253 -0.364 1.117 1.00 0.00 O ATOM 282 CB ARG B 599 11.218 1.275 0.328 1.00 0.00 C ATOM 283 CG ARG B 599 10.569 2.572 -0.126 1.00 0.00 C ATOM 284 CD ARG B 599 10.097 3.403 1.057 1.00 0.00 C ATOM 285 NE ARG B 599 11.215 3.953 1.819 1.00 0.00 N ATOM 286 CZ ARG B 599 11.072 4.687 2.921 1.00 0.00 C ATOM 287 NH1 ARG B 599 9.862 4.960 3.392 1.00 0.00 N ATOM 288 NH2 ARG B 599 12.142 5.148 3.554 1.00 0.00 N ATOM 0 H ARG B 599 10.946 -0.956 -1.481 1.00 0.00 H new ATOM 0 HA ARG B 599 12.680 1.403 -1.240 1.00 0.00 H new ATOM 0 HB2 ARG B 599 10.439 0.571 0.622 1.00 0.00 H new ATOM 0 HB3 ARG B 599 11.822 1.471 1.214 1.00 0.00 H new ATOM 0 HG2 ARG B 599 11.281 3.149 -0.716 1.00 0.00 H new ATOM 0 HG3 ARG B 599 9.723 2.349 -0.776 1.00 0.00 H new ATOM 0 HD2 ARG B 599 9.466 4.217 0.700 1.00 0.00 H new ATOM 0 HD3 ARG B 599 9.481 2.786 1.711 1.00 0.00 H new ATOM 0 HE ARG B 599 12.161 3.764 1.488 1.00 0.00 H new ATOM 0 HH11 ARG B 599 9.035 4.607 2.910 1.00 0.00 H new ATOM 0 HH12 ARG B 599 9.758 5.523 4.236 1.00 0.00 H new ATOM 0 HH21 ARG B 599 13.075 4.940 3.197 1.00 0.00 H new ATOM 0 HH22 ARG B 599 12.032 5.710 4.398 1.00 0.00 H new ATOM 302 N VAL B 600 13.696 -1.189 -0.928 1.00 0.00 N ATOM 303 CA VAL B 600 14.651 -2.178 -0.443 1.00 0.00 C ATOM 304 C VAL B 600 15.804 -1.511 0.300 1.00 0.00 C ATOM 305 O VAL B 600 16.686 -2.241 0.800 1.00 0.00 O ATOM 306 CB VAL B 600 15.222 -3.021 -1.599 1.00 0.00 C ATOM 307 CG1 VAL B 600 14.130 -3.869 -2.232 1.00 0.00 C ATOM 308 CG2 VAL B 600 15.884 -2.127 -2.637 1.00 0.00 C ATOM 309 OXT VAL B 600 15.816 -0.265 0.377 1.00 0.00 O ATOM 0 H VAL B 600 13.557 -1.197 -1.938 1.00 0.00 H new ATOM 0 HA VAL B 600 14.109 -2.831 0.241 1.00 0.00 H new ATOM 0 HB VAL B 600 15.981 -3.691 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL B 600 14.552 -4.457 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL B 600 13.708 -4.538 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL B 600 13.346 -3.220 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL B 600 16.281 -2.741 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL B 600 15.149 -1.429 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL B 600 16.697 -1.569 -2.172 1.00 0.00 H new TER 319 VAL B 600 ATOM 320 N ASP A 451 -17.258 -5.644 -5.877 1.00 0.00 N ATOM 321 CA ASP A 451 -16.419 -6.820 -5.524 1.00 0.00 C ATOM 322 C ASP A 451 -15.051 -6.387 -5.008 1.00 0.00 C ATOM 323 O ASP A 451 -14.102 -6.245 -5.779 1.00 0.00 O ATOM 324 CB ASP A 451 -16.262 -7.697 -6.768 1.00 0.00 C ATOM 325 CG ASP A 451 -15.645 -6.946 -7.932 1.00 0.00 C ATOM 326 OD1 ASP A 451 -15.638 -5.698 -7.896 1.00 0.00 O ATOM 327 OD2 ASP A 451 -15.171 -7.607 -8.880 1.00 0.00 O ATOM 0 HA ASP A 451 -16.907 -7.381 -4.727 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -15.641 -8.559 -6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -17.238 -8.081 -7.064 1.00 0.00 H new ATOM 334 N VAL A 452 -14.957 -6.180 -3.699 1.00 0.00 N ATOM 335 CA VAL A 452 -13.707 -5.764 -3.080 1.00 0.00 C ATOM 336 C VAL A 452 -12.619 -6.826 -3.253 1.00 0.00 C ATOM 337 O VAL A 452 -12.566 -7.500 -4.279 1.00 0.00 O ATOM 338 CB VAL A 452 -13.912 -5.402 -1.589 1.00 0.00 C ATOM 339 CG1 VAL A 452 -14.127 -6.649 -0.740 1.00 0.00 C ATOM 340 CG2 VAL A 452 -12.739 -4.562 -1.076 1.00 0.00 C ATOM 0 H VAL A 452 -15.733 -6.294 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 452 -13.369 -4.864 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 452 -14.817 -4.800 -1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -14.268 -6.360 0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -15.011 -7.181 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -13.256 -7.299 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -12.899 -4.316 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -11.813 -5.128 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -12.668 -3.643 -1.657 1.00 0.00 H new ATOM 350 N GLN A 453 -11.742 -6.927 -2.260 1.00 0.00 N ATOM 351 CA GLN A 453 -10.617 -7.842 -2.255 1.00 0.00 C ATOM 352 C GLN A 453 -9.412 -7.146 -2.842 1.00 0.00 C ATOM 353 O GLN A 453 -9.404 -6.773 -4.015 1.00 0.00 O ATOM 354 CB GLN A 453 -10.916 -9.107 -3.012 1.00 0.00 C ATOM 355 CG GLN A 453 -12.068 -9.903 -2.430 1.00 0.00 C ATOM 356 CD GLN A 453 -11.603 -11.085 -1.602 1.00 0.00 C ATOM 357 OE1 GLN A 453 -11.818 -12.239 -1.969 1.00 0.00 O ATOM 358 NE2 GLN A 453 -10.960 -10.800 -0.474 1.00 0.00 N ATOM 0 H GLN A 453 -11.800 -6.357 -1.416 1.00 0.00 H new ATOM 0 HA GLN A 453 -10.413 -8.131 -1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -11.145 -8.856 -4.048 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -10.023 -9.732 -3.026 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -12.680 -9.248 -1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -12.704 -10.260 -3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -10.803 -9.828 -0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -10.623 -11.553 0.125 1.00 0.00 H new ATOM 367 N VAL A 454 -8.407 -6.943 -2.014 1.00 0.00 N ATOM 368 CA VAL A 454 -7.206 -6.254 -2.447 1.00 0.00 C ATOM 369 C VAL A 454 -6.576 -6.967 -3.629 1.00 0.00 C ATOM 370 O VAL A 454 -6.182 -8.128 -3.532 1.00 0.00 O ATOM 371 CB VAL A 454 -6.186 -6.118 -1.301 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.791 -5.796 -1.828 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.656 -5.049 -0.339 1.00 0.00 C ATOM 0 H VAL A 454 -8.397 -7.244 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.498 -5.250 -2.756 1.00 0.00 H new ATOM 0 HB VAL A 454 -6.119 -7.072 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -4.098 -5.707 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.459 -6.595 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.818 -4.855 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.937 -4.949 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.743 -4.098 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.628 -5.328 0.068 1.00 0.00 H new ATOM 383 N THR A 455 -6.503 -6.271 -4.754 1.00 0.00 N ATOM 384 CA THR A 455 -5.944 -6.856 -5.955 1.00 0.00 C ATOM 385 C THR A 455 -4.926 -5.958 -6.621 1.00 0.00 C ATOM 386 O THR A 455 -4.733 -4.805 -6.237 1.00 0.00 O ATOM 387 CB THR A 455 -7.063 -7.173 -6.932 1.00 0.00 C ATOM 388 OG1 THR A 455 -7.902 -6.046 -7.117 1.00 0.00 O ATOM 389 CG2 THR A 455 -7.920 -8.314 -6.449 1.00 0.00 C ATOM 0 H THR A 455 -6.822 -5.308 -4.856 1.00 0.00 H new ATOM 0 HA THR A 455 -5.425 -7.768 -5.661 1.00 0.00 H new ATOM 0 HB THR A 455 -6.585 -7.451 -7.871 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.615 -6.270 -7.751 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.709 -8.510 -7.176 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.305 -9.206 -6.332 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.367 -8.053 -5.490 1.00 0.00 H new ATOM 397 N GLU A 456 -4.293 -6.509 -7.640 1.00 0.00 N ATOM 398 CA GLU A 456 -3.297 -5.798 -8.408 1.00 0.00 C ATOM 399 C GLU A 456 -3.942 -4.676 -9.200 1.00 0.00 C ATOM 400 O GLU A 456 -3.520 -3.525 -9.127 1.00 0.00 O ATOM 401 CB GLU A 456 -2.611 -6.772 -9.355 1.00 0.00 C ATOM 402 CG GLU A 456 -1.353 -7.395 -8.775 1.00 0.00 C ATOM 403 CD GLU A 456 -0.611 -8.250 -9.784 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.181 -7.706 -10.823 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.460 -9.465 -9.535 1.00 0.00 O ATOM 0 H GLU A 456 -4.458 -7.465 -7.956 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.562 -5.363 -7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.311 -7.565 -9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.357 -6.251 -10.278 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.692 -6.606 -8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.618 -8.005 -7.912 1.00 0.00 H new ATOM 412 N ASP A 457 -4.964 -5.039 -9.960 1.00 0.00 N ATOM 413 CA ASP A 457 -5.689 -4.085 -10.796 1.00 0.00 C ATOM 414 C ASP A 457 -6.254 -2.922 -9.986 1.00 0.00 C ATOM 415 O ASP A 457 -6.420 -1.819 -10.504 1.00 0.00 O ATOM 416 CB ASP A 457 -6.815 -4.794 -11.545 1.00 0.00 C ATOM 417 CG ASP A 457 -6.634 -4.742 -13.049 1.00 0.00 C ATOM 418 OD1 ASP A 457 -5.477 -4.630 -13.505 1.00 0.00 O ATOM 419 OD2 ASP A 457 -7.651 -4.811 -13.773 1.00 0.00 O ATOM 0 H ASP A 457 -5.315 -5.995 -10.017 1.00 0.00 H new ATOM 0 HA ASP A 457 -4.977 -3.671 -11.510 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.862 -5.834 -11.224 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.768 -4.335 -11.281 1.00 0.00 H new ATOM 424 N ALA A 458 -6.556 -3.173 -8.722 1.00 0.00 N ATOM 425 CA ALA A 458 -7.114 -2.141 -7.853 1.00 0.00 C ATOM 426 C ALA A 458 -6.080 -1.076 -7.524 1.00 0.00 C ATOM 427 O ALA A 458 -6.288 0.107 -7.792 1.00 0.00 O ATOM 428 CB ALA A 458 -7.655 -2.752 -6.568 1.00 0.00 C ATOM 0 H ALA A 458 -6.426 -4.079 -8.273 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.934 -1.668 -8.393 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.066 -1.965 -5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.439 -3.470 -6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.848 -3.259 -6.038 1.00 0.00 H new ATOM 434 N VAL A 459 -4.971 -1.495 -6.932 1.00 0.00 N ATOM 435 CA VAL A 459 -3.917 -0.564 -6.556 1.00 0.00 C ATOM 436 C VAL A 459 -3.503 0.322 -7.724 1.00 0.00 C ATOM 437 O VAL A 459 -3.031 1.440 -7.524 1.00 0.00 O ATOM 438 CB VAL A 459 -2.682 -1.296 -6.005 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.699 -0.297 -5.419 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.092 -2.323 -4.961 1.00 0.00 C ATOM 0 H VAL A 459 -4.778 -2.470 -6.702 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.331 0.066 -5.769 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.193 -1.822 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.829 -0.827 -5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.384 0.401 -6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.178 0.253 -4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.205 -2.831 -4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.602 -1.822 -4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.763 -3.053 -5.413 1.00 0.00 H new ATOM 450 N ARG A 460 -3.693 -0.173 -8.940 1.00 0.00 N ATOM 451 CA ARG A 460 -3.344 0.593 -10.133 1.00 0.00 C ATOM 452 C ARG A 460 -4.187 1.861 -10.214 1.00 0.00 C ATOM 453 O ARG A 460 -3.673 2.942 -10.496 1.00 0.00 O ATOM 454 CB ARG A 460 -3.544 -0.240 -11.403 1.00 0.00 C ATOM 455 CG ARG A 460 -3.077 -1.681 -11.278 1.00 0.00 C ATOM 456 CD ARG A 460 -1.643 -1.772 -10.775 1.00 0.00 C ATOM 457 NE ARG A 460 -0.729 -2.244 -11.815 1.00 0.00 N ATOM 458 CZ ARG A 460 -0.604 -3.521 -12.167 1.00 0.00 C ATOM 459 NH1 ARG A 460 -1.331 -4.456 -11.569 1.00 0.00 N ATOM 460 NH2 ARG A 460 0.249 -3.864 -13.123 1.00 0.00 N ATOM 0 H ARG A 460 -4.084 -1.096 -9.128 1.00 0.00 H new ATOM 0 HA ARG A 460 -2.291 0.863 -10.059 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.602 -0.233 -11.667 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -3.008 0.235 -12.225 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.736 -2.218 -10.596 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -3.153 -2.173 -12.248 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -1.319 -0.792 -10.424 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -1.600 -2.447 -9.920 1.00 0.00 H new ATOM 0 HE ARG A 460 -0.154 -1.554 -12.298 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -1.990 -4.198 -10.835 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -1.231 -5.433 -11.843 1.00 0.00 H new ATOM 0 HH21 ARG A 460 0.809 -3.149 -13.588 1.00 0.00 H new ATOM 0 HH22 ARG A 460 0.345 -4.843 -13.393 1.00 0.00 H new ATOM 474 N ARG A 461 -5.483 1.717 -9.954 1.00 0.00 N ATOM 475 CA ARG A 461 -6.404 2.844 -9.988 1.00 0.00 C ATOM 476 C ARG A 461 -6.011 3.887 -8.946 1.00 0.00 C ATOM 477 O ARG A 461 -6.321 5.070 -9.091 1.00 0.00 O ATOM 478 CB ARG A 461 -7.836 2.341 -9.770 1.00 0.00 C ATOM 479 CG ARG A 461 -8.293 2.400 -8.328 1.00 0.00 C ATOM 480 CD ARG A 461 -9.753 2.010 -8.183 1.00 0.00 C ATOM 481 NE ARG A 461 -10.551 3.084 -7.597 1.00 0.00 N ATOM 482 CZ ARG A 461 -11.882 3.079 -7.552 1.00 0.00 C ATOM 483 NH1 ARG A 461 -12.566 2.060 -8.055 1.00 0.00 N ATOM 484 NH2 ARG A 461 -12.529 4.096 -7.001 1.00 0.00 N ATOM 0 H ARG A 461 -5.919 0.826 -9.717 1.00 0.00 H new ATOM 0 HA ARG A 461 -6.354 3.326 -10.964 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -8.516 2.934 -10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.907 1.312 -10.122 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.677 1.734 -7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -8.146 3.408 -7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -10.158 1.750 -9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -9.830 1.119 -7.559 1.00 0.00 H new ATOM 0 HE ARG A 461 -10.060 3.885 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -12.073 1.274 -8.479 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -13.585 2.062 -8.018 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -12.008 4.882 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -13.548 4.093 -6.966 1.00 0.00 H new ATOM 498 N TYR A 462 -5.318 3.444 -7.901 1.00 0.00 N ATOM 499 CA TYR A 462 -4.874 4.347 -6.849 1.00 0.00 C ATOM 500 C TYR A 462 -3.749 5.236 -7.361 1.00 0.00 C ATOM 501 O TYR A 462 -3.756 6.447 -7.155 1.00 0.00 O ATOM 502 CB TYR A 462 -4.398 3.557 -5.626 1.00 0.00 C ATOM 503 CG TYR A 462 -5.401 2.548 -5.100 1.00 0.00 C ATOM 504 CD1 TYR A 462 -6.698 2.485 -5.599 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.043 1.651 -4.100 1.00 0.00 C ATOM 506 CE1 TYR A 462 -7.607 1.562 -5.118 1.00 0.00 C ATOM 507 CE2 TYR A 462 -5.947 0.726 -3.614 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.225 0.685 -4.125 1.00 0.00 C ATOM 509 OH TYR A 462 -8.126 -0.238 -3.645 1.00 0.00 O ATOM 0 H TYR A 462 -5.054 2.469 -7.762 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.717 4.972 -6.554 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.477 3.034 -5.883 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.155 4.259 -4.828 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -7.000 3.170 -6.377 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.042 1.678 -3.696 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.610 1.528 -5.517 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -5.652 0.037 -2.836 1.00 0.00 H new ATOM 0 HH TYR A 462 -7.643 -0.975 -3.217 1.00 0.00 H new ATOM 519 N LEU A 463 -2.786 4.614 -8.034 1.00 0.00 N ATOM 520 CA LEU A 463 -1.639 5.320 -8.588 1.00 0.00 C ATOM 521 C LEU A 463 -2.055 6.276 -9.694 1.00 0.00 C ATOM 522 O LEU A 463 -1.811 7.479 -9.611 1.00 0.00 O ATOM 523 CB LEU A 463 -0.620 4.319 -9.127 1.00 0.00 C ATOM 524 CG LEU A 463 -0.618 2.944 -8.458 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.560 2.121 -8.947 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.582 3.084 -6.943 1.00 0.00 C ATOM 0 H LEU A 463 -2.780 3.609 -8.210 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.188 5.905 -7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.802 4.183 -10.193 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.375 4.752 -9.026 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.538 2.427 -8.730 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.548 1.145 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 463 0.489 1.991 -10.027 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.489 2.636 -8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.581 2.094 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.320 3.620 -6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.459 3.638 -6.608 1.00 0.00 H new ATOM 538 N THR A 464 -2.691 5.739 -10.732 1.00 0.00 N ATOM 539 CA THR A 464 -3.142 6.558 -11.850 1.00 0.00 C ATOM 540 C THR A 464 -3.934 7.760 -11.349 1.00 0.00 C ATOM 541 O THR A 464 -4.034 8.780 -12.030 1.00 0.00 O ATOM 542 CB THR A 464 -3.994 5.729 -12.815 1.00 0.00 C ATOM 543 OG1 THR A 464 -4.374 4.499 -12.225 1.00 0.00 O ATOM 544 CG2 THR A 464 -3.288 5.415 -14.116 1.00 0.00 C ATOM 0 H THR A 464 -2.904 4.745 -10.821 1.00 0.00 H new ATOM 0 HA THR A 464 -2.263 6.919 -12.384 1.00 0.00 H new ATOM 0 HB THR A 464 -4.866 6.347 -13.031 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.573 3.972 -12.022 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.946 4.826 -14.754 1.00 0.00 H new ATOM 0 HG22 THR A 464 -3.028 6.345 -14.623 1.00 0.00 H new ATOM 0 HG23 THR A 464 -2.380 4.848 -13.910 1.00 0.00 H new ATOM 552 N ARG A 465 -4.497 7.628 -10.153 1.00 0.00 N ATOM 553 CA ARG A 465 -5.278 8.693 -9.560 1.00 0.00 C ATOM 554 C ARG A 465 -4.423 9.567 -8.639 1.00 0.00 C ATOM 555 O ARG A 465 -4.538 10.793 -8.654 1.00 0.00 O ATOM 556 CB ARG A 465 -6.461 8.115 -8.781 1.00 0.00 C ATOM 557 CG ARG A 465 -7.687 7.855 -9.641 1.00 0.00 C ATOM 558 CD ARG A 465 -8.613 6.836 -8.997 1.00 0.00 C ATOM 559 NE ARG A 465 -10.021 7.170 -9.201 1.00 0.00 N ATOM 560 CZ ARG A 465 -10.668 6.982 -10.349 1.00 0.00 C ATOM 561 NH1 ARG A 465 -10.039 6.463 -11.396 1.00 0.00 N ATOM 562 NH2 ARG A 465 -11.948 7.312 -10.449 1.00 0.00 N ATOM 0 H ARG A 465 -4.423 6.789 -9.578 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.653 9.319 -10.370 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.154 7.182 -8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -6.729 8.804 -7.980 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -8.226 8.789 -9.800 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.375 7.496 -10.622 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -8.411 5.849 -9.412 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.405 6.781 -7.929 1.00 0.00 H new ATOM 0 HE ARG A 465 -10.538 7.570 -8.418 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -9.055 6.206 -11.324 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -10.540 6.321 -12.273 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -12.436 7.710 -9.647 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -12.445 7.168 -11.328 1.00 0.00 H new ATOM 576 N LYS A 466 -3.571 8.931 -7.835 1.00 0.00 N ATOM 577 CA LYS A 466 -2.706 9.658 -6.907 1.00 0.00 C ATOM 578 C LYS A 466 -1.711 8.715 -6.219 1.00 0.00 C ATOM 579 O LYS A 466 -1.945 7.512 -6.128 1.00 0.00 O ATOM 580 CB LYS A 466 -3.558 10.395 -5.870 1.00 0.00 C ATOM 581 CG LYS A 466 -4.198 9.481 -4.839 1.00 0.00 C ATOM 582 CD LYS A 466 -3.242 9.202 -3.695 1.00 0.00 C ATOM 583 CE LYS A 466 -3.152 7.715 -3.390 1.00 0.00 C ATOM 584 NZ LYS A 466 -2.982 7.457 -1.933 1.00 0.00 N ATOM 0 H LYS A 466 -3.462 7.917 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.129 10.387 -7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -2.935 11.127 -5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.342 10.950 -6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -5.108 9.942 -4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -4.491 8.543 -5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.252 9.583 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -3.573 9.737 -2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -4.054 7.216 -3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -2.313 7.282 -3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -3.243 6.473 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -1.990 7.617 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -3.595 8.101 -1.393 1.00 0.00 H new ATOM 598 N PRO A 467 -0.571 9.249 -5.738 1.00 0.00 N ATOM 599 CA PRO A 467 0.466 8.445 -5.076 1.00 0.00 C ATOM 600 C PRO A 467 0.080 7.994 -3.670 1.00 0.00 C ATOM 601 O PRO A 467 -0.632 8.695 -2.951 1.00 0.00 O ATOM 602 CB PRO A 467 1.662 9.392 -5.036 1.00 0.00 C ATOM 603 CG PRO A 467 1.051 10.743 -4.970 1.00 0.00 C ATOM 604 CD PRO A 467 -0.192 10.673 -5.816 1.00 0.00 C ATOM 0 HA PRO A 467 0.653 7.512 -5.608 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.295 9.198 -4.170 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.289 9.281 -5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 467 0.810 11.013 -3.942 1.00 0.00 H new ATOM 0 HG3 PRO A 467 1.738 11.501 -5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.979 11.321 -5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.001 10.983 -6.843 1.00 0.00 H new ATOM 612 N MET A 468 0.557 6.811 -3.286 1.00 0.00 N ATOM 613 CA MET A 468 0.262 6.253 -1.969 1.00 0.00 C ATOM 614 C MET A 468 1.454 5.498 -1.393 1.00 0.00 C ATOM 615 O MET A 468 2.229 4.882 -2.124 1.00 0.00 O ATOM 616 CB MET A 468 -0.934 5.289 -2.043 1.00 0.00 C ATOM 617 CG MET A 468 -0.569 3.879 -2.495 1.00 0.00 C ATOM 618 SD MET A 468 0.335 3.853 -4.057 1.00 0.00 S ATOM 619 CE MET A 468 1.565 2.590 -3.731 1.00 0.00 C ATOM 0 H MET A 468 1.150 6.221 -3.869 1.00 0.00 H new ATOM 0 HA MET A 468 0.027 7.095 -1.318 1.00 0.00 H new ATOM 0 HB2 MET A 468 -1.404 5.234 -1.061 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.675 5.699 -2.729 1.00 0.00 H new ATOM 0 HG2 MET A 468 0.035 3.401 -1.724 1.00 0.00 H new ATOM 0 HG3 MET A 468 -1.480 3.289 -2.598 1.00 0.00 H new ATOM 0 HE1 MET A 468 2.441 2.765 -4.356 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.855 2.627 -2.681 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.148 1.609 -3.958 1.00 0.00 H new ATOM 629 N THR A 469 1.555 5.502 -0.071 1.00 0.00 N ATOM 630 CA THR A 469 2.603 4.763 0.610 1.00 0.00 C ATOM 631 C THR A 469 2.069 3.366 0.899 1.00 0.00 C ATOM 632 O THR A 469 0.913 3.079 0.593 1.00 0.00 O ATOM 633 CB THR A 469 3.013 5.460 1.909 1.00 0.00 C ATOM 634 OG1 THR A 469 2.051 5.239 2.925 1.00 0.00 O ATOM 635 CG2 THR A 469 3.190 6.956 1.756 1.00 0.00 C ATOM 0 H THR A 469 0.923 6.009 0.549 1.00 0.00 H new ATOM 0 HA THR A 469 3.492 4.711 -0.019 1.00 0.00 H new ATOM 0 HB THR A 469 3.975 5.024 2.179 1.00 0.00 H new ATOM 0 HG1 THR A 469 2.333 5.692 3.747 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.481 7.388 2.714 1.00 0.00 H new ATOM 0 HG22 THR A 469 3.966 7.157 1.017 1.00 0.00 H new ATOM 0 HG23 THR A 469 2.251 7.402 1.427 1.00 0.00 H new ATOM 643 N THR A 470 2.880 2.491 1.474 1.00 0.00 N ATOM 644 CA THR A 470 2.413 1.140 1.764 1.00 0.00 C ATOM 645 C THR A 470 1.406 1.143 2.900 1.00 0.00 C ATOM 646 O THR A 470 0.447 0.371 2.896 1.00 0.00 O ATOM 647 CB THR A 470 3.579 0.203 2.076 1.00 0.00 C ATOM 648 OG1 THR A 470 4.696 0.929 2.557 1.00 0.00 O ATOM 649 CG2 THR A 470 4.025 -0.595 0.872 1.00 0.00 C ATOM 0 H THR A 470 3.844 2.683 1.745 1.00 0.00 H new ATOM 0 HA THR A 470 1.915 0.766 0.870 1.00 0.00 H new ATOM 0 HB THR A 470 3.210 -0.485 2.837 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.835 0.725 3.505 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.855 -1.243 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.196 -1.203 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.346 0.085 0.083 1.00 0.00 H new ATOM 657 N LYS A 471 1.610 2.030 3.855 1.00 0.00 N ATOM 658 CA LYS A 471 0.698 2.150 4.982 1.00 0.00 C ATOM 659 C LYS A 471 -0.598 2.791 4.516 1.00 0.00 C ATOM 660 O LYS A 471 -1.691 2.294 4.788 1.00 0.00 O ATOM 661 CB LYS A 471 1.320 2.992 6.097 1.00 0.00 C ATOM 662 CG LYS A 471 2.769 2.642 6.393 1.00 0.00 C ATOM 663 CD LYS A 471 3.723 3.603 5.709 1.00 0.00 C ATOM 664 CE LYS A 471 5.012 2.909 5.296 1.00 0.00 C ATOM 665 NZ LYS A 471 5.377 3.202 3.884 1.00 0.00 N ATOM 0 H LYS A 471 2.397 2.678 3.875 1.00 0.00 H new ATOM 0 HA LYS A 471 0.496 1.154 5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 471 1.259 4.045 5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 471 0.732 2.866 7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 471 2.937 2.665 7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 471 2.974 1.625 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.241 4.032 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.953 4.430 6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 471 5.821 3.228 5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.901 1.832 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 6.404 3.092 3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.880 2.542 3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 5.103 4.178 3.650 1.00 0.00 H new ATOM 679 N ASP A 472 -0.456 3.903 3.806 1.00 0.00 N ATOM 680 CA ASP A 472 -1.604 4.636 3.285 1.00 0.00 C ATOM 681 C ASP A 472 -2.431 3.782 2.325 1.00 0.00 C ATOM 682 O ASP A 472 -3.655 3.911 2.276 1.00 0.00 O ATOM 683 CB ASP A 472 -1.138 5.912 2.582 1.00 0.00 C ATOM 684 CG ASP A 472 -2.291 6.719 2.014 1.00 0.00 C ATOM 685 OD1 ASP A 472 -2.958 6.226 1.081 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.525 7.843 2.505 1.00 0.00 O ATOM 0 H ASP A 472 0.447 4.319 3.577 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.241 4.899 4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.581 6.528 3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.452 5.649 1.777 1.00 0.00 H new ATOM 691 N LEU A 473 -1.772 2.913 1.559 1.00 0.00 N ATOM 692 CA LEU A 473 -2.486 2.061 0.610 1.00 0.00 C ATOM 693 C LEU A 473 -3.419 1.103 1.336 1.00 0.00 C ATOM 694 O LEU A 473 -4.553 0.881 0.913 1.00 0.00 O ATOM 695 CB LEU A 473 -1.508 1.279 -0.257 1.00 0.00 C ATOM 696 CG LEU A 473 -1.969 1.042 -1.694 1.00 0.00 C ATOM 697 CD1 LEU A 473 -0.772 0.900 -2.623 1.00 0.00 C ATOM 698 CD2 LEU A 473 -2.861 -0.190 -1.772 1.00 0.00 C ATOM 0 H LEU A 473 -0.761 2.781 1.576 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.083 2.707 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.558 1.813 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.320 0.313 0.213 1.00 0.00 H new ATOM 0 HG LEU A 473 -2.550 1.906 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -1.120 0.732 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 473 -0.175 1.811 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.162 0.055 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -3.180 -0.344 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.306 -1.063 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -3.737 -0.046 -1.139 1.00 0.00 H new ATOM 710 N LEU A 474 -2.928 0.540 2.425 1.00 0.00 N ATOM 711 CA LEU A 474 -3.712 -0.401 3.223 1.00 0.00 C ATOM 712 C LEU A 474 -4.620 0.319 4.215 1.00 0.00 C ATOM 713 O LEU A 474 -5.710 -0.157 4.530 1.00 0.00 O ATOM 714 CB LEU A 474 -2.817 -1.384 3.982 1.00 0.00 C ATOM 715 CG LEU A 474 -1.669 -0.745 4.745 1.00 0.00 C ATOM 716 CD1 LEU A 474 -2.124 -0.306 6.131 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.488 -1.702 4.842 1.00 0.00 C ATOM 0 H LEU A 474 -1.989 0.715 2.782 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.330 -0.957 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -3.433 -1.946 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.407 -2.102 3.272 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.345 0.140 4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.288 0.149 6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.932 0.420 6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.479 -1.173 6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.323 -1.225 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.796 -2.608 5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.145 -1.959 3.840 1.00 0.00 H new ATOM 729 N LYS A 475 -4.158 1.461 4.716 1.00 0.00 N ATOM 730 CA LYS A 475 -4.922 2.239 5.687 1.00 0.00 C ATOM 731 C LYS A 475 -6.364 2.446 5.232 1.00 0.00 C ATOM 732 O LYS A 475 -7.262 2.624 6.054 1.00 0.00 O ATOM 733 CB LYS A 475 -4.249 3.591 5.931 1.00 0.00 C ATOM 734 CG LYS A 475 -3.433 3.636 7.214 1.00 0.00 C ATOM 735 CD LYS A 475 -1.966 3.909 6.935 1.00 0.00 C ATOM 736 CE LYS A 475 -1.348 4.789 8.010 1.00 0.00 C ATOM 737 NZ LYS A 475 -0.077 5.414 7.553 1.00 0.00 N ATOM 0 H LYS A 475 -3.257 1.869 4.465 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.943 1.675 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -3.599 3.823 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -5.013 4.368 5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -3.829 4.411 7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.533 2.688 7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.423 2.965 6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -1.863 4.393 5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -2.055 5.569 8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -1.159 4.193 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 0.008 6.367 7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 0.727 4.832 7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -0.077 5.481 6.515 1.00 0.00 H new ATOM 751 N LYS A 476 -6.580 2.428 3.922 1.00 0.00 N ATOM 752 CA LYS A 476 -7.917 2.619 3.379 1.00 0.00 C ATOM 753 C LYS A 476 -8.689 1.302 3.316 1.00 0.00 C ATOM 754 O LYS A 476 -9.865 1.252 3.675 1.00 0.00 O ATOM 755 CB LYS A 476 -7.856 3.263 1.989 1.00 0.00 C ATOM 756 CG LYS A 476 -6.719 2.749 1.122 1.00 0.00 C ATOM 757 CD LYS A 476 -7.155 2.562 -0.322 1.00 0.00 C ATOM 758 CE LYS A 476 -7.411 1.099 -0.639 1.00 0.00 C ATOM 759 NZ LYS A 476 -8.672 0.910 -1.408 1.00 0.00 N ATOM 0 H LYS A 476 -5.852 2.284 3.222 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.448 3.291 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -8.801 3.085 1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -7.753 4.342 2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -5.885 3.449 1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -6.358 1.800 1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -8.060 3.140 -0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -6.386 2.951 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -6.574 0.700 -1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -7.463 0.530 0.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -9.270 0.208 -0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -9.181 1.815 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -8.447 0.575 -2.367 1.00 0.00 H new ATOM 773 N PHE A 477 -8.029 0.235 2.866 1.00 0.00 N ATOM 774 CA PHE A 477 -8.668 -1.069 2.768 1.00 0.00 C ATOM 775 C PHE A 477 -9.128 -1.566 4.131 1.00 0.00 C ATOM 776 O PHE A 477 -10.202 -2.152 4.265 1.00 0.00 O ATOM 777 CB PHE A 477 -7.698 -2.075 2.155 1.00 0.00 C ATOM 778 CG PHE A 477 -7.845 -2.213 0.672 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.995 -2.754 0.122 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.831 -1.802 -0.172 1.00 0.00 C ATOM 781 CE1 PHE A 477 -9.130 -2.880 -1.245 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.959 -1.925 -1.537 1.00 0.00 C ATOM 783 CZ PHE A 477 -8.110 -2.465 -2.077 1.00 0.00 C ATOM 0 H PHE A 477 -7.055 0.252 2.565 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.546 -0.967 2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.677 -1.771 2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.853 -3.048 2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.795 -3.081 0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.928 -1.380 0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -10.032 -3.302 -1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -6.159 -1.599 -2.186 1.00 0.00 H new ATOM 0 HZ PHE A 477 -8.212 -2.562 -3.148 1.00 0.00 H new ATOM 793 N GLN A 478 -8.300 -1.335 5.134 1.00 0.00 N ATOM 794 CA GLN A 478 -8.602 -1.763 6.495 1.00 0.00 C ATOM 795 C GLN A 478 -9.923 -1.171 6.978 1.00 0.00 C ATOM 796 O GLN A 478 -10.059 0.046 7.106 1.00 0.00 O ATOM 797 CB GLN A 478 -7.472 -1.357 7.442 1.00 0.00 C ATOM 798 CG GLN A 478 -7.084 0.108 7.332 1.00 0.00 C ATOM 799 CD GLN A 478 -6.732 0.720 8.675 1.00 0.00 C ATOM 800 OE1 GLN A 478 -7.603 1.212 9.393 1.00 0.00 O ATOM 801 NE2 GLN A 478 -5.451 0.692 9.020 1.00 0.00 N ATOM 0 H GLN A 478 -7.408 -0.851 5.034 1.00 0.00 H new ATOM 0 HA GLN A 478 -8.694 -2.849 6.492 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -7.775 -1.568 8.468 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -6.597 -1.973 7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -6.233 0.205 6.658 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -7.908 0.666 6.887 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -4.763 0.274 8.394 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -5.154 1.089 9.912 1.00 0.00 H new ATOM 810 N THR A 479 -10.893 -2.042 7.254 1.00 0.00 N ATOM 811 CA THR A 479 -12.207 -1.613 7.732 1.00 0.00 C ATOM 812 C THR A 479 -13.057 -1.017 6.607 1.00 0.00 C ATOM 813 O THR A 479 -14.171 -0.552 6.846 1.00 0.00 O ATOM 814 CB THR A 479 -12.060 -0.592 8.864 1.00 0.00 C ATOM 815 OG1 THR A 479 -10.866 -0.820 9.592 1.00 0.00 O ATOM 816 CG2 THR A 479 -13.210 -0.618 9.847 1.00 0.00 C ATOM 0 H THR A 479 -10.793 -3.052 7.154 1.00 0.00 H new ATOM 0 HA THR A 479 -12.718 -2.500 8.107 1.00 0.00 H new ATOM 0 HB THR A 479 -12.045 0.382 8.375 1.00 0.00 H new ATOM 0 HG1 THR A 479 -10.789 -0.157 10.310 1.00 0.00 H new ATOM 0 HG21 THR A 479 -13.043 0.129 10.623 1.00 0.00 H new ATOM 0 HG22 THR A 479 -14.140 -0.396 9.324 1.00 0.00 H new ATOM 0 HG23 THR A 479 -13.277 -1.606 10.303 1.00 0.00 H new ATOM 824 N LYS A 480 -12.534 -1.033 5.383 1.00 0.00 N ATOM 825 CA LYS A 480 -13.261 -0.491 4.240 1.00 0.00 C ATOM 826 C LYS A 480 -14.351 -1.455 3.781 1.00 0.00 C ATOM 827 O LYS A 480 -15.520 -1.084 3.678 1.00 0.00 O ATOM 828 CB LYS A 480 -12.299 -0.203 3.085 1.00 0.00 C ATOM 829 CG LYS A 480 -12.368 1.228 2.578 1.00 0.00 C ATOM 830 CD LYS A 480 -13.636 1.475 1.776 1.00 0.00 C ATOM 831 CE LYS A 480 -14.128 2.903 1.937 1.00 0.00 C ATOM 832 NZ LYS A 480 -14.690 3.443 0.667 1.00 0.00 N ATOM 0 H LYS A 480 -11.615 -1.413 5.159 1.00 0.00 H new ATOM 0 HA LYS A 480 -13.733 0.441 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -11.281 -0.416 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -12.519 -0.882 2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -12.330 1.916 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -11.497 1.437 1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -13.447 1.271 0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -14.413 0.783 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -14.890 2.939 2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -13.304 3.536 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -15.015 4.419 0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -13.956 3.433 -0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -15.492 2.854 0.364 1.00 0.00 H new ATOM 846 N LYS A 481 -13.957 -2.694 3.505 1.00 0.00 N ATOM 847 CA LYS A 481 -14.897 -3.719 3.056 1.00 0.00 C ATOM 848 C LYS A 481 -14.179 -5.026 2.742 1.00 0.00 C ATOM 849 O LYS A 481 -14.765 -6.104 2.845 1.00 0.00 O ATOM 850 CB LYS A 481 -15.671 -3.237 1.825 1.00 0.00 C ATOM 851 CG LYS A 481 -17.162 -3.522 1.895 1.00 0.00 C ATOM 852 CD LYS A 481 -17.495 -4.893 1.329 1.00 0.00 C ATOM 853 CE LYS A 481 -18.990 -5.061 1.118 1.00 0.00 C ATOM 854 NZ LYS A 481 -19.479 -4.271 -0.047 1.00 0.00 N ATOM 0 H LYS A 481 -12.992 -3.014 3.584 1.00 0.00 H new ATOM 0 HA LYS A 481 -15.601 -3.902 3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -15.520 -2.164 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -15.259 -3.716 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -17.496 -3.464 2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -17.706 -2.757 1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -16.975 -5.032 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -17.133 -5.665 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -19.219 -6.115 0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -19.521 -4.748 2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -20.442 -4.576 -0.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -19.488 -3.260 0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -18.848 -4.424 -0.860 1.00 0.00 H new ATOM 868 N THR A 482 -12.906 -4.928 2.365 1.00 0.00 N ATOM 869 CA THR A 482 -12.108 -6.107 2.047 1.00 0.00 C ATOM 870 C THR A 482 -12.271 -7.186 3.117 1.00 0.00 C ATOM 871 O THR A 482 -12.078 -8.372 2.852 1.00 0.00 O ATOM 872 CB THR A 482 -10.629 -5.726 1.921 1.00 0.00 C ATOM 873 OG1 THR A 482 -10.399 -4.426 2.436 1.00 0.00 O ATOM 874 CG2 THR A 482 -10.121 -5.750 0.496 1.00 0.00 C ATOM 0 H THR A 482 -12.406 -4.044 2.273 1.00 0.00 H new ATOM 0 HA THR A 482 -12.462 -6.506 1.096 1.00 0.00 H new ATOM 0 HB THR A 482 -10.090 -6.480 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 482 -9.554 -4.416 2.933 1.00 0.00 H new ATOM 0 HG21 THR A 482 -9.068 -5.470 0.480 1.00 0.00 H new ATOM 0 HG22 THR A 482 -10.236 -6.753 0.086 1.00 0.00 H new ATOM 0 HG23 THR A 482 -10.693 -5.044 -0.106 1.00 0.00 H new ATOM 882 N GLY A 483 -12.616 -6.761 4.332 1.00 0.00 N ATOM 883 CA GLY A 483 -12.784 -7.699 5.422 1.00 0.00 C ATOM 884 C GLY A 483 -11.476 -8.350 5.811 1.00 0.00 C ATOM 885 O GLY A 483 -11.460 -9.364 6.508 1.00 0.00 O ATOM 0 H GLY A 483 -12.781 -5.785 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -13.203 -7.182 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -13.500 -8.468 5.132 1.00 0.00 H new ATOM 889 N LEU A 484 -10.376 -7.766 5.351 1.00 0.00 N ATOM 890 CA LEU A 484 -9.058 -8.292 5.642 1.00 0.00 C ATOM 891 C LEU A 484 -8.441 -7.587 6.844 1.00 0.00 C ATOM 892 O LEU A 484 -8.371 -6.359 6.892 1.00 0.00 O ATOM 893 CB LEU A 484 -8.147 -8.154 4.419 1.00 0.00 C ATOM 894 CG LEU A 484 -7.764 -9.474 3.746 1.00 0.00 C ATOM 895 CD1 LEU A 484 -8.998 -10.326 3.491 1.00 0.00 C ATOM 896 CD2 LEU A 484 -7.018 -9.211 2.446 1.00 0.00 C ATOM 0 H LEU A 484 -10.376 -6.925 4.773 1.00 0.00 H new ATOM 0 HA LEU A 484 -9.162 -9.349 5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -8.643 -7.520 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.235 -7.639 4.720 1.00 0.00 H new ATOM 0 HG LEU A 484 -7.104 -10.023 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -8.703 -11.260 3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -9.492 -10.544 4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.685 -9.786 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.753 -10.160 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -7.655 -8.640 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -6.111 -8.644 2.655 1.00 0.00 H new ATOM 908 N SER A 485 -7.996 -8.381 7.812 1.00 0.00 N ATOM 909 CA SER A 485 -7.378 -7.858 9.028 1.00 0.00 C ATOM 910 C SER A 485 -6.410 -6.719 8.724 1.00 0.00 C ATOM 911 O SER A 485 -5.858 -6.636 7.628 1.00 0.00 O ATOM 912 CB SER A 485 -6.626 -8.970 9.750 1.00 0.00 C ATOM 913 OG SER A 485 -6.986 -9.028 11.119 1.00 0.00 O ATOM 0 H SER A 485 -8.052 -9.399 7.778 1.00 0.00 H new ATOM 0 HA SER A 485 -8.177 -7.472 9.661 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.841 -9.927 9.274 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.552 -8.804 9.660 1.00 0.00 H new ATOM 0 HG SER A 485 -6.490 -9.751 11.557 1.00 0.00 H new ATOM 919 N SER A 486 -6.192 -5.857 9.711 1.00 0.00 N ATOM 920 CA SER A 486 -5.271 -4.740 9.551 1.00 0.00 C ATOM 921 C SER A 486 -3.867 -5.256 9.251 1.00 0.00 C ATOM 922 O SER A 486 -3.040 -4.546 8.680 1.00 0.00 O ATOM 923 CB SER A 486 -5.255 -3.873 10.811 1.00 0.00 C ATOM 924 OG SER A 486 -6.563 -3.702 11.330 1.00 0.00 O ATOM 0 H SER A 486 -6.639 -5.910 10.626 1.00 0.00 H new ATOM 0 HA SER A 486 -5.610 -4.129 8.714 1.00 0.00 H new ATOM 0 HB2 SER A 486 -4.619 -4.335 11.566 1.00 0.00 H new ATOM 0 HB3 SER A 486 -4.822 -2.900 10.581 1.00 0.00 H new ATOM 0 HG SER A 486 -6.525 -3.146 12.136 1.00 0.00 H new ATOM 930 N GLU A 487 -3.614 -6.504 9.639 1.00 0.00 N ATOM 931 CA GLU A 487 -2.326 -7.135 9.415 1.00 0.00 C ATOM 932 C GLU A 487 -2.317 -7.876 8.089 1.00 0.00 C ATOM 933 O GLU A 487 -1.371 -7.776 7.308 1.00 0.00 O ATOM 934 CB GLU A 487 -2.000 -8.104 10.555 1.00 0.00 C ATOM 935 CG GLU A 487 -2.394 -7.585 11.928 1.00 0.00 C ATOM 936 CD GLU A 487 -1.680 -8.310 13.052 1.00 0.00 C ATOM 937 OE1 GLU A 487 -1.931 -9.521 13.231 1.00 0.00 O ATOM 938 OE2 GLU A 487 -0.872 -7.668 13.754 1.00 0.00 O ATOM 0 H GLU A 487 -4.294 -7.098 10.114 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.566 -6.355 9.386 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.510 -9.050 10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.930 -8.313 10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -2.170 -6.520 11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.471 -7.692 12.058 1.00 0.00 H new ATOM 945 N GLN A 488 -3.388 -8.614 7.841 1.00 0.00 N ATOM 946 CA GLN A 488 -3.524 -9.371 6.609 1.00 0.00 C ATOM 947 C GLN A 488 -3.615 -8.425 5.421 1.00 0.00 C ATOM 948 O GLN A 488 -3.012 -8.668 4.376 1.00 0.00 O ATOM 949 CB GLN A 488 -4.753 -10.277 6.663 1.00 0.00 C ATOM 950 CG GLN A 488 -4.424 -11.718 7.011 1.00 0.00 C ATOM 951 CD GLN A 488 -5.487 -12.367 7.876 1.00 0.00 C ATOM 952 OE1 GLN A 488 -5.206 -12.833 8.981 1.00 0.00 O ATOM 953 NE2 GLN A 488 -6.716 -12.402 7.376 1.00 0.00 N ATOM 0 H GLN A 488 -4.178 -8.704 8.480 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.642 -10.001 6.491 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.453 -9.884 7.400 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.258 -10.250 5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -4.308 -12.292 6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.467 -11.753 7.531 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -6.904 -12.004 6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -7.473 -12.827 7.912 1.00 0.00 H new ATOM 962 N THR A 489 -4.354 -7.329 5.594 1.00 0.00 N ATOM 963 CA THR A 489 -4.490 -6.335 4.534 1.00 0.00 C ATOM 964 C THR A 489 -3.110 -5.942 4.022 1.00 0.00 C ATOM 965 O THR A 489 -2.941 -5.581 2.859 1.00 0.00 O ATOM 966 CB THR A 489 -5.232 -5.098 5.039 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.501 -5.449 5.559 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.448 -4.055 3.964 1.00 0.00 C ATOM 0 H THR A 489 -4.863 -7.110 6.451 1.00 0.00 H new ATOM 0 HA THR A 489 -5.070 -6.771 3.720 1.00 0.00 H new ATOM 0 HB THR A 489 -4.594 -4.674 5.815 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.423 -5.626 6.520 1.00 0.00 H new ATOM 0 HG21 THR A 489 -5.980 -3.202 4.386 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.484 -3.726 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.037 -4.485 3.153 1.00 0.00 H new ATOM 976 N VAL A 490 -2.122 -6.040 4.908 1.00 0.00 N ATOM 977 CA VAL A 490 -0.741 -5.723 4.564 1.00 0.00 C ATOM 978 C VAL A 490 -0.075 -6.935 3.938 1.00 0.00 C ATOM 979 O VAL A 490 0.651 -6.828 2.949 1.00 0.00 O ATOM 980 CB VAL A 490 0.057 -5.293 5.805 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.405 -4.716 5.409 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.745 -4.293 6.616 1.00 0.00 C ATOM 0 H VAL A 490 -2.255 -6.338 5.874 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.753 -4.896 3.855 1.00 0.00 H new ATOM 0 HB VAL A 490 0.243 -6.172 6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.951 -4.419 6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.978 -5.469 4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.255 -3.846 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.172 -3.994 7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -0.958 -3.416 6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.682 -4.750 6.933 1.00 0.00 H new ATOM 992 N ASN A 491 -0.352 -8.096 4.518 1.00 0.00 N ATOM 993 CA ASN A 491 0.183 -9.354 4.026 1.00 0.00 C ATOM 994 C ASN A 491 -0.291 -9.600 2.596 1.00 0.00 C ATOM 995 O ASN A 491 0.394 -10.241 1.799 1.00 0.00 O ATOM 996 CB ASN A 491 -0.265 -10.489 4.952 1.00 0.00 C ATOM 997 CG ASN A 491 -0.103 -11.865 4.335 1.00 0.00 C ATOM 998 OD1 ASN A 491 1.005 -12.289 4.007 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.219 -12.568 4.175 1.00 0.00 N ATOM 0 H ASN A 491 -0.951 -8.190 5.338 1.00 0.00 H new ATOM 0 HA ASN A 491 1.272 -9.313 4.019 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.310 -10.443 5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.311 -10.339 5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.180 -13.501 3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -2.115 -12.175 4.462 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.469 -9.070 2.283 1.00 0.00 N ATOM 1007 CA VAL A 492 -2.054 -9.206 0.956 1.00 0.00 C ATOM 1008 C VAL A 492 -1.800 -7.955 0.117 1.00 0.00 C ATOM 1009 O VAL A 492 -2.098 -7.924 -1.074 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.574 -9.448 1.052 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.244 -8.312 1.810 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.188 -9.613 -0.330 1.00 0.00 C ATOM 0 H VAL A 492 -2.041 -8.537 2.938 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.581 -10.062 0.475 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.739 -10.374 1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.317 -8.497 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.830 -8.252 2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -4.066 -7.372 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.260 -9.782 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -4.014 -8.710 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.730 -10.465 -0.832 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.248 -6.921 0.740 1.00 0.00 N ATOM 1023 CA LEU A 493 -0.961 -5.684 0.039 1.00 0.00 C ATOM 1024 C LEU A 493 0.481 -5.668 -0.459 1.00 0.00 C ATOM 1025 O LEU A 493 0.751 -5.323 -1.608 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.201 -4.478 0.954 1.00 0.00 C ATOM 1027 CG LEU A 493 -0.720 -3.144 0.383 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -1.408 -2.850 -0.941 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -0.958 -2.016 1.371 1.00 0.00 C ATOM 0 H LEU A 493 -0.992 -6.918 1.727 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.632 -5.621 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.268 -4.405 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.699 -4.654 1.905 1.00 0.00 H new ATOM 0 HG LEU A 493 0.353 -3.218 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.053 -1.896 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.179 -3.642 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.486 -2.800 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -0.608 -1.077 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.024 -1.941 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.414 -2.219 2.293 1.00 0.00 H new ATOM 1041 N ALA A 494 1.402 -6.038 0.425 1.00 0.00 N ATOM 1042 CA ALA A 494 2.823 -6.064 0.096 1.00 0.00 C ATOM 1043 C ALA A 494 3.078 -6.809 -1.207 1.00 0.00 C ATOM 1044 O ALA A 494 3.986 -6.466 -1.964 1.00 0.00 O ATOM 1045 CB ALA A 494 3.608 -6.705 1.227 1.00 0.00 C ATOM 0 H ALA A 494 1.188 -6.325 1.380 1.00 0.00 H new ATOM 0 HA ALA A 494 3.157 -5.035 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.668 -6.720 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.463 -6.130 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.258 -7.726 1.380 1.00 0.00 H new ATOM 1051 N GLN A 495 2.277 -7.835 -1.457 1.00 0.00 N ATOM 1052 CA GLN A 495 2.415 -8.638 -2.655 1.00 0.00 C ATOM 1053 C GLN A 495 2.041 -7.851 -3.909 1.00 0.00 C ATOM 1054 O GLN A 495 2.725 -7.928 -4.929 1.00 0.00 O ATOM 1055 CB GLN A 495 1.542 -9.884 -2.543 1.00 0.00 C ATOM 1056 CG GLN A 495 0.132 -9.593 -2.081 1.00 0.00 C ATOM 1057 CD GLN A 495 -0.900 -9.838 -3.166 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -0.570 -10.262 -4.273 1.00 0.00 O ATOM 1059 NE2 GLN A 495 -2.160 -9.570 -2.852 1.00 0.00 N ATOM 0 H GLN A 495 1.521 -8.129 -0.839 1.00 0.00 H new ATOM 0 HA GLN A 495 3.462 -8.928 -2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.503 -10.379 -3.513 1.00 0.00 H new ATOM 0 HB3 GLN A 495 2.007 -10.582 -1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -0.099 -10.216 -1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.068 -8.556 -1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -2.390 -9.220 -1.922 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -2.899 -9.714 -3.540 1.00 0.00 H new ATOM 1068 N ILE A 496 0.940 -7.112 -3.833 1.00 0.00 N ATOM 1069 CA ILE A 496 0.457 -6.332 -4.964 1.00 0.00 C ATOM 1070 C ILE A 496 1.218 -5.014 -5.143 1.00 0.00 C ATOM 1071 O ILE A 496 1.374 -4.528 -6.262 1.00 0.00 O ATOM 1072 CB ILE A 496 -1.046 -6.018 -4.818 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.884 -7.261 -5.116 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.440 -4.879 -5.744 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.153 -7.342 -4.296 1.00 0.00 C ATOM 0 H ILE A 496 0.363 -7.037 -2.995 1.00 0.00 H new ATOM 0 HA ILE A 496 0.628 -6.949 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.237 -5.712 -3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.143 -7.270 -6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.282 -8.150 -4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.503 -4.669 -5.630 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.865 -3.989 -5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.235 -5.162 -6.776 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.699 -8.248 -4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.900 -7.365 -3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.776 -6.471 -4.502 1.00 0.00 H new ATOM 1087 N LEU A 497 1.661 -4.427 -4.040 1.00 0.00 N ATOM 1088 CA LEU A 497 2.374 -3.150 -4.084 1.00 0.00 C ATOM 1089 C LEU A 497 3.421 -3.109 -5.205 1.00 0.00 C ATOM 1090 O LEU A 497 3.407 -2.213 -6.048 1.00 0.00 O ATOM 1091 CB LEU A 497 3.055 -2.887 -2.731 1.00 0.00 C ATOM 1092 CG LEU A 497 2.767 -1.531 -2.052 1.00 0.00 C ATOM 1093 CD1 LEU A 497 2.160 -0.515 -3.013 1.00 0.00 C ATOM 1094 CD2 LEU A 497 1.855 -1.722 -0.855 1.00 0.00 C ATOM 0 H LEU A 497 1.541 -4.811 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 497 1.639 -2.372 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 497 2.759 -3.679 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 497 4.132 -2.973 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 497 3.726 -1.132 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.977 0.421 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 497 2.850 -0.337 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.219 -0.901 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.662 -0.757 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.913 -2.162 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 497 2.334 -2.385 -0.134 1.00 0.00 H new ATOM 1106 N LYS A 498 4.350 -4.060 -5.180 1.00 0.00 N ATOM 1107 CA LYS A 498 5.434 -4.117 -6.165 1.00 0.00 C ATOM 1108 C LYS A 498 4.935 -4.256 -7.599 1.00 0.00 C ATOM 1109 O LYS A 498 5.555 -3.737 -8.528 1.00 0.00 O ATOM 1110 CB LYS A 498 6.392 -5.261 -5.832 1.00 0.00 C ATOM 1111 CG LYS A 498 5.732 -6.632 -5.827 1.00 0.00 C ATOM 1112 CD LYS A 498 5.266 -7.038 -4.435 1.00 0.00 C ATOM 1113 CE LYS A 498 6.393 -6.952 -3.410 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.205 -7.925 -2.299 1.00 0.00 N ATOM 0 H LYS A 498 4.377 -4.807 -4.486 1.00 0.00 H new ATOM 0 HA LYS A 498 5.958 -3.163 -6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.207 -5.263 -6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.836 -5.078 -4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 498 4.880 -6.626 -6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.436 -7.374 -6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.444 -6.393 -4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 498 4.879 -8.057 -4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.347 -7.142 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.439 -5.941 -3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 7.066 -7.958 -1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.400 -7.629 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 6.017 -8.869 -2.692 1.00 0.00 H new ATOM 1128 N ARG A 499 3.826 -4.953 -7.784 1.00 0.00 N ATOM 1129 CA ARG A 499 3.270 -5.146 -9.128 1.00 0.00 C ATOM 1130 C ARG A 499 3.008 -3.804 -9.804 1.00 0.00 C ATOM 1131 O ARG A 499 2.919 -3.718 -11.030 1.00 0.00 O ATOM 1132 CB ARG A 499 1.962 -5.946 -9.085 1.00 0.00 C ATOM 1133 CG ARG A 499 1.889 -6.960 -7.961 1.00 0.00 C ATOM 1134 CD ARG A 499 3.081 -7.895 -7.971 1.00 0.00 C ATOM 1135 NE ARG A 499 3.021 -8.850 -9.073 1.00 0.00 N ATOM 1136 CZ ARG A 499 4.016 -9.675 -9.394 1.00 0.00 C ATOM 1137 NH1 ARG A 499 5.146 -9.666 -8.699 1.00 0.00 N ATOM 1138 NH2 ARG A 499 3.879 -10.513 -10.413 1.00 0.00 N ATOM 0 H ARG A 499 3.292 -5.393 -7.034 1.00 0.00 H new ATOM 0 HA ARG A 499 4.009 -5.706 -9.701 1.00 0.00 H new ATOM 0 HB2 ARG A 499 1.128 -5.251 -8.987 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.835 -6.464 -10.035 1.00 0.00 H new ATOM 0 HG2 ARG A 499 1.843 -6.440 -7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.971 -7.540 -8.053 1.00 0.00 H new ATOM 0 HD2 ARG A 499 3.998 -7.311 -8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 499 3.125 -8.436 -7.026 1.00 0.00 H new ATOM 0 HE ARG A 499 2.167 -8.888 -9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 499 5.257 -9.025 -7.914 1.00 0.00 H new ATOM 0 HH12 ARG A 499 5.904 -10.300 -8.950 1.00 0.00 H new ATOM 0 HH21 ARG A 499 3.012 -10.525 -10.950 1.00 0.00 H new ATOM 0 HH22 ARG A 499 4.641 -11.145 -10.659 1.00 0.00 H new ATOM 1152 N LEU A 500 2.868 -2.765 -8.993 1.00 0.00 N ATOM 1153 CA LEU A 500 2.595 -1.426 -9.494 1.00 0.00 C ATOM 1154 C LEU A 500 3.686 -0.930 -10.430 1.00 0.00 C ATOM 1155 O LEU A 500 3.405 -0.408 -11.509 1.00 0.00 O ATOM 1156 CB LEU A 500 2.448 -0.464 -8.319 1.00 0.00 C ATOM 1157 CG LEU A 500 1.293 -0.781 -7.366 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.256 0.219 -6.219 1.00 0.00 C ATOM 1159 CD2 LEU A 500 -0.032 -0.796 -8.115 1.00 0.00 C ATOM 0 H LEU A 500 2.940 -2.825 -7.977 1.00 0.00 H new ATOM 0 HA LEU A 500 1.668 -1.468 -10.066 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.378 -0.463 -7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.311 0.545 -8.709 1.00 0.00 H new ATOM 0 HG LEU A 500 1.456 -1.774 -6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.428 -0.023 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.194 0.172 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.119 1.224 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.840 -1.023 -7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -0.206 0.181 -8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -0.000 -1.556 -8.895 1.00 0.00 H new ATOM 1171 N ASN A 501 4.926 -1.087 -10.007 1.00 0.00 N ATOM 1172 CA ASN A 501 6.063 -0.647 -10.795 1.00 0.00 C ATOM 1173 C ASN A 501 5.965 0.855 -11.077 1.00 0.00 C ATOM 1174 O ASN A 501 5.957 1.284 -12.231 1.00 0.00 O ATOM 1175 CB ASN A 501 6.129 -1.444 -12.097 1.00 0.00 C ATOM 1176 CG ASN A 501 7.231 -0.978 -13.022 1.00 0.00 C ATOM 1177 OD1 ASN A 501 7.015 -0.145 -13.902 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.423 -1.524 -12.829 1.00 0.00 N ATOM 0 H ASN A 501 5.173 -1.519 -9.116 1.00 0.00 H new ATOM 0 HA ASN A 501 6.980 -0.825 -10.233 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.280 -2.498 -11.864 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.172 -1.366 -12.613 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.208 -1.257 -13.423 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.555 -2.211 -12.087 1.00 0.00 H new ATOM 1185 N PRO A 502 5.886 1.674 -10.013 1.00 0.00 N ATOM 1186 CA PRO A 502 5.788 3.117 -10.103 1.00 0.00 C ATOM 1187 C PRO A 502 7.135 3.779 -9.867 1.00 0.00 C ATOM 1188 O PRO A 502 8.181 3.142 -9.985 1.00 0.00 O ATOM 1189 CB PRO A 502 4.832 3.434 -8.949 1.00 0.00 C ATOM 1190 CG PRO A 502 4.994 2.309 -7.965 1.00 0.00 C ATOM 1191 CD PRO A 502 5.888 1.274 -8.607 1.00 0.00 C ATOM 0 HA PRO A 502 5.456 3.472 -11.079 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.076 4.393 -8.491 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.803 3.501 -9.301 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.433 2.672 -7.036 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.026 1.877 -7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 502 6.892 1.288 -8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.500 0.264 -8.473 1.00 0.00 H new ATOM 1199 N GLU A 503 7.102 5.053 -9.515 1.00 0.00 N ATOM 1200 CA GLU A 503 8.310 5.796 -9.239 1.00 0.00 C ATOM 1201 C GLU A 503 8.272 6.329 -7.816 1.00 0.00 C ATOM 1202 O GLU A 503 7.225 6.764 -7.336 1.00 0.00 O ATOM 1203 CB GLU A 503 8.468 6.933 -10.240 1.00 0.00 C ATOM 1204 CG GLU A 503 9.540 6.668 -11.283 1.00 0.00 C ATOM 1205 CD GLU A 503 10.774 7.526 -11.082 1.00 0.00 C ATOM 1206 OE1 GLU A 503 11.231 7.648 -9.926 1.00 0.00 O ATOM 1207 OE2 GLU A 503 11.283 8.078 -12.080 1.00 0.00 O ATOM 0 H GLU A 503 6.243 5.594 -9.414 1.00 0.00 H new ATOM 0 HA GLU A 503 9.170 5.134 -9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.515 7.101 -10.742 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.711 7.850 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 503 9.824 5.616 -11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.130 6.855 -12.276 1.00 0.00 H new ATOM 1214 N ARG A 504 9.405 6.278 -7.131 1.00 0.00 N ATOM 1215 CA ARG A 504 9.468 6.742 -5.755 1.00 0.00 C ATOM 1216 C ARG A 504 9.572 8.258 -5.682 1.00 0.00 C ATOM 1217 O ARG A 504 10.361 8.883 -6.390 1.00 0.00 O ATOM 1218 CB ARG A 504 10.638 6.100 -5.019 1.00 0.00 C ATOM 1219 CG ARG A 504 12.000 6.517 -5.550 1.00 0.00 C ATOM 1220 CD ARG A 504 13.119 6.059 -4.629 1.00 0.00 C ATOM 1221 NE ARG A 504 14.197 7.041 -4.548 1.00 0.00 N ATOM 1222 CZ ARG A 504 14.993 7.356 -5.569 1.00 0.00 C ATOM 1223 NH1 ARG A 504 14.833 6.769 -6.748 1.00 0.00 N ATOM 1224 NH2 ARG A 504 15.949 8.261 -5.410 1.00 0.00 N ATOM 0 H ARG A 504 10.286 5.923 -7.503 1.00 0.00 H new ATOM 0 HA ARG A 504 8.540 6.442 -5.268 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.576 6.358 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.548 5.016 -5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.149 6.095 -6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 504 12.035 7.601 -5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 504 12.717 5.879 -3.632 1.00 0.00 H new ATOM 0 HD3 ARG A 504 13.519 5.111 -4.988 1.00 0.00 H new ATOM 0 HE ARG A 504 14.350 7.514 -3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 504 14.098 6.073 -6.876 1.00 0.00 H new ATOM 0 HH12 ARG A 504 15.445 7.013 -7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 504 16.075 8.716 -4.506 1.00 0.00 H new ATOM 0 HH22 ARG A 504 16.558 8.502 -6.192 1.00 0.00 H new ATOM 1238 N LYS A 505 8.756 8.832 -4.810 1.00 0.00 N ATOM 1239 CA LYS A 505 8.718 10.275 -4.603 1.00 0.00 C ATOM 1240 C LYS A 505 8.172 10.579 -3.216 1.00 0.00 C ATOM 1241 O LYS A 505 7.519 9.735 -2.607 1.00 0.00 O ATOM 1242 CB LYS A 505 7.846 10.957 -5.664 1.00 0.00 C ATOM 1243 CG LYS A 505 7.921 10.309 -7.038 1.00 0.00 C ATOM 1244 CD LYS A 505 6.944 10.950 -8.009 1.00 0.00 C ATOM 1245 CE LYS A 505 5.509 10.554 -7.701 1.00 0.00 C ATOM 1246 NZ LYS A 505 4.541 11.610 -8.107 1.00 0.00 N ATOM 0 H LYS A 505 8.101 8.312 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 505 9.733 10.663 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.810 10.950 -5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 505 8.146 12.001 -5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 505 8.935 10.397 -7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.704 9.244 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 505 7.041 12.035 -7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 505 7.194 10.652 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 505 5.270 9.625 -8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.407 10.360 -6.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.572 11.287 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.731 12.480 -7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.643 11.802 -9.124 1.00 0.00 H new ATOM 1260 N MET A 506 8.438 11.777 -2.711 1.00 0.00 N ATOM 1261 CA MET A 506 7.956 12.150 -1.388 1.00 0.00 C ATOM 1262 C MET A 506 6.759 13.092 -1.474 1.00 0.00 C ATOM 1263 O MET A 506 6.893 14.254 -1.858 1.00 0.00 O ATOM 1264 CB MET A 506 9.071 12.796 -0.565 1.00 0.00 C ATOM 1265 CG MET A 506 9.767 13.952 -1.265 1.00 0.00 C ATOM 1266 SD MET A 506 10.218 15.279 -0.128 1.00 0.00 S ATOM 1267 CE MET A 506 10.680 14.345 1.331 1.00 0.00 C ATOM 0 H MET A 506 8.977 12.498 -3.190 1.00 0.00 H new ATOM 0 HA MET A 506 7.634 11.235 -0.890 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.653 13.153 0.376 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.812 12.036 -0.317 1.00 0.00 H new ATOM 0 HG2 MET A 506 10.664 13.584 -1.763 1.00 0.00 H new ATOM 0 HG3 MET A 506 9.113 14.350 -2.041 1.00 0.00 H new ATOM 0 HE1 MET A 506 11.164 15.007 2.049 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.788 13.911 1.783 1.00 0.00 H new ATOM 0 HE3 MET A 506 11.369 13.548 1.050 1.00 0.00 H new ATOM 1277 N ILE A 507 5.590 12.584 -1.095 1.00 0.00 N ATOM 1278 CA ILE A 507 4.370 13.379 -1.108 1.00 0.00 C ATOM 1279 C ILE A 507 4.182 14.067 0.243 1.00 0.00 C ATOM 1280 O ILE A 507 3.914 13.413 1.250 1.00 0.00 O ATOM 1281 CB ILE A 507 3.120 12.509 -1.420 1.00 0.00 C ATOM 1282 CG1 ILE A 507 3.058 12.093 -2.903 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.847 13.253 -1.040 1.00 0.00 C ATOM 1284 CD1 ILE A 507 3.981 12.876 -3.814 1.00 0.00 C ATOM 0 H ILE A 507 5.464 11.624 -0.775 1.00 0.00 H new ATOM 0 HA ILE A 507 4.472 14.125 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 507 3.204 11.601 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.304 11.034 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 507 2.034 12.209 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.981 12.630 -1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.863 13.481 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.784 14.181 -1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.872 12.517 -4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.723 13.934 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 507 5.013 12.741 -3.490 1.00 0.00 H new ATOM 1296 N ASN A 508 4.327 15.387 0.255 1.00 0.00 N ATOM 1297 CA ASN A 508 4.176 16.159 1.482 1.00 0.00 C ATOM 1298 C ASN A 508 5.185 15.709 2.534 1.00 0.00 C ATOM 1299 O ASN A 508 4.849 15.560 3.709 1.00 0.00 O ATOM 1300 CB ASN A 508 2.753 16.016 2.027 1.00 0.00 C ATOM 1301 CG ASN A 508 2.237 17.304 2.638 1.00 0.00 C ATOM 1302 OD1 ASN A 508 1.784 18.202 1.929 1.00 0.00 O ATOM 1303 ND2 ASN A 508 2.303 17.400 3.961 1.00 0.00 N ATOM 0 H ASN A 508 4.549 15.944 -0.570 1.00 0.00 H new ATOM 0 HA ASN A 508 4.364 17.207 1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 508 2.087 15.707 1.221 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.732 15.227 2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 508 1.970 18.243 4.428 1.00 0.00 H new ATOM 0 HD22 ASN A 508 2.686 16.630 4.510 1.00 0.00 H new ATOM 1310 N ASP A 509 6.426 15.493 2.102 1.00 0.00 N ATOM 1311 CA ASP A 509 7.493 15.058 3.003 1.00 0.00 C ATOM 1312 C ASP A 509 7.320 13.594 3.404 1.00 0.00 C ATOM 1313 O ASP A 509 7.982 13.115 4.324 1.00 0.00 O ATOM 1314 CB ASP A 509 7.536 15.941 4.254 1.00 0.00 C ATOM 1315 CG ASP A 509 7.416 17.416 3.928 1.00 0.00 C ATOM 1316 OD1 ASP A 509 8.440 18.028 3.558 1.00 0.00 O ATOM 1317 OD2 ASP A 509 6.298 17.961 4.043 1.00 0.00 O ATOM 0 H ASP A 509 6.718 15.612 1.132 1.00 0.00 H new ATOM 0 HA ASP A 509 8.437 15.156 2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 509 6.727 15.654 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 509 8.470 15.765 4.787 1.00 0.00 H new ATOM 1322 N LYS A 510 6.431 12.887 2.711 1.00 0.00 N ATOM 1323 CA LYS A 510 6.183 11.479 3.001 1.00 0.00 C ATOM 1324 C LYS A 510 6.577 10.605 1.820 1.00 0.00 C ATOM 1325 O LYS A 510 6.197 10.879 0.685 1.00 0.00 O ATOM 1326 CB LYS A 510 4.709 11.249 3.331 1.00 0.00 C ATOM 1327 CG LYS A 510 4.456 9.928 4.036 1.00 0.00 C ATOM 1328 CD LYS A 510 4.448 10.092 5.549 1.00 0.00 C ATOM 1329 CE LYS A 510 5.723 10.755 6.049 1.00 0.00 C ATOM 1330 NZ LYS A 510 6.911 9.874 5.878 1.00 0.00 N ATOM 0 H LYS A 510 5.872 13.266 1.947 1.00 0.00 H new ATOM 0 HA LYS A 510 6.791 11.206 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 510 4.352 12.064 3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 510 4.127 11.280 2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.501 9.518 3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 510 5.225 9.210 3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.586 10.690 5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 510 4.336 9.116 6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 510 5.883 11.688 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.610 11.011 7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 7.710 10.434 5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 7.168 9.456 6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 6.687 9.116 5.202 1.00 0.00 H new ATOM 1344 N MET A 511 7.335 9.546 2.088 1.00 0.00 N ATOM 1345 CA MET A 511 7.760 8.648 1.026 1.00 0.00 C ATOM 1346 C MET A 511 6.553 7.978 0.376 1.00 0.00 C ATOM 1347 O MET A 511 5.908 7.115 0.972 1.00 0.00 O ATOM 1348 CB MET A 511 8.715 7.585 1.574 1.00 0.00 C ATOM 1349 CG MET A 511 10.180 7.988 1.503 1.00 0.00 C ATOM 1350 SD MET A 511 10.735 8.299 -0.184 1.00 0.00 S ATOM 1351 CE MET A 511 10.065 6.871 -1.032 1.00 0.00 C ATOM 0 H MET A 511 7.663 9.293 3.020 1.00 0.00 H new ATOM 0 HA MET A 511 8.283 9.236 0.272 1.00 0.00 H new ATOM 0 HB2 MET A 511 8.455 7.375 2.611 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.574 6.659 1.016 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.336 8.884 2.103 1.00 0.00 H new ATOM 0 HG3 MET A 511 10.791 7.200 1.943 1.00 0.00 H new ATOM 0 HE1 MET A 511 10.696 6.626 -1.886 1.00 0.00 H new ATOM 0 HE2 MET A 511 10.035 6.023 -0.348 1.00 0.00 H new ATOM 0 HE3 MET A 511 9.056 7.094 -1.378 1.00 0.00 H new ATOM 1361 N HIS A 512 6.260 8.389 -0.851 1.00 0.00 N ATOM 1362 CA HIS A 512 5.144 7.849 -1.604 1.00 0.00 C ATOM 1363 C HIS A 512 5.611 7.263 -2.933 1.00 0.00 C ATOM 1364 O HIS A 512 6.247 7.949 -3.732 1.00 0.00 O ATOM 1365 CB HIS A 512 4.107 8.940 -1.876 1.00 0.00 C ATOM 1366 CG HIS A 512 3.149 9.174 -0.750 1.00 0.00 C ATOM 1367 ND1 HIS A 512 3.529 9.695 0.469 1.00 0.00 N ATOM 1368 CD2 HIS A 512 1.813 8.974 -0.672 1.00 0.00 C ATOM 1369 CE1 HIS A 512 2.466 9.806 1.247 1.00 0.00 C ATOM 1370 NE2 HIS A 512 1.413 9.376 0.579 1.00 0.00 N ATOM 0 H HIS A 512 6.790 9.105 -1.348 1.00 0.00 H new ATOM 0 HA HIS A 512 4.695 7.056 -1.005 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.627 9.873 -2.095 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.542 8.673 -2.769 1.00 0.00 H new ATOM 0 HD1 HIS A 512 4.481 9.954 0.729 1.00 0.00 H new ATOM 0 HD2 HIS A 512 1.179 8.573 -1.449 1.00 0.00 H new ATOM 0 HE1 HIS A 512 2.461 10.185 2.258 1.00 0.00 H new ATOM 1379 N PHE A 513 5.273 6.005 -3.179 1.00 0.00 N ATOM 1380 CA PHE A 513 5.640 5.352 -4.426 1.00 0.00 C ATOM 1381 C PHE A 513 4.417 5.243 -5.328 1.00 0.00 C ATOM 1382 O PHE A 513 3.392 4.692 -4.929 1.00 0.00 O ATOM 1383 CB PHE A 513 6.234 3.964 -4.160 1.00 0.00 C ATOM 1384 CG PHE A 513 5.988 3.444 -2.770 1.00 0.00 C ATOM 1385 CD1 PHE A 513 4.720 3.044 -2.380 1.00 0.00 C ATOM 1386 CD2 PHE A 513 7.025 3.358 -1.857 1.00 0.00 C ATOM 1387 CE1 PHE A 513 4.493 2.567 -1.103 1.00 0.00 C ATOM 1388 CE2 PHE A 513 6.804 2.882 -0.579 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.536 2.485 -0.203 1.00 0.00 C ATOM 0 H PHE A 513 4.746 5.418 -2.532 1.00 0.00 H new ATOM 0 HA PHE A 513 6.400 5.953 -4.925 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.817 3.259 -4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 513 7.309 4.001 -4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 513 3.901 3.106 -3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 513 8.018 3.667 -2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.500 2.259 -0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 513 7.621 2.821 0.124 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.361 2.111 0.795 1.00 0.00 H new ATOM 1399 N SER A 514 4.516 5.788 -6.537 1.00 0.00 N ATOM 1400 CA SER A 514 3.401 5.762 -7.472 1.00 0.00 C ATOM 1401 C SER A 514 3.757 6.461 -8.779 1.00 0.00 C ATOM 1402 O SER A 514 4.774 7.147 -8.876 1.00 0.00 O ATOM 1403 CB SER A 514 2.178 6.433 -6.847 1.00 0.00 C ATOM 1404 OG SER A 514 1.009 5.662 -7.061 1.00 0.00 O ATOM 0 H SER A 514 5.354 6.251 -6.889 1.00 0.00 H new ATOM 0 HA SER A 514 3.174 4.719 -7.693 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.339 6.566 -5.777 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.046 7.427 -7.275 1.00 0.00 H new ATOM 0 HG SER A 514 0.538 5.539 -6.210 1.00 0.00 H new ATOM 1410 N LEU A 515 2.891 6.301 -9.772 1.00 0.00 N ATOM 1411 CA LEU A 515 3.075 6.928 -11.064 1.00 0.00 C ATOM 1412 C LEU A 515 1.918 7.864 -11.345 1.00 0.00 C ATOM 1413 O LEU A 515 0.908 7.844 -10.641 1.00 0.00 O ATOM 1414 CB LEU A 515 3.220 5.891 -12.190 1.00 0.00 C ATOM 1415 CG LEU A 515 1.951 5.129 -12.576 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.352 4.435 -11.374 1.00 0.00 C ATOM 1417 CD2 LEU A 515 0.942 6.073 -13.196 1.00 0.00 C ATOM 0 H LEU A 515 2.046 5.734 -9.700 1.00 0.00 H new ATOM 0 HA LEU A 515 4.003 7.498 -11.034 1.00 0.00 H new ATOM 0 HB2 LEU A 515 3.597 6.400 -13.077 1.00 0.00 H new ATOM 0 HB3 LEU A 515 3.977 5.166 -11.892 1.00 0.00 H new ATOM 0 HG LEU A 515 2.219 4.368 -13.309 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.451 3.900 -11.674 1.00 0.00 H new ATOM 0 HD12 LEU A 515 2.074 3.728 -10.965 1.00 0.00 H new ATOM 0 HD13 LEU A 515 1.099 5.175 -10.615 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.043 5.519 -13.466 1.00 0.00 H new ATOM 0 HD22 LEU A 515 0.685 6.853 -12.479 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.370 6.528 -14.089 1.00 0.00 H new ATOM 1429 N LYS A 516 2.059 8.677 -12.375 1.00 0.00 N ATOM 1430 CA LYS A 516 1.009 9.606 -12.738 1.00 0.00 C ATOM 1431 C LYS A 516 0.797 9.636 -14.243 1.00 0.00 C ATOM 1432 O LYS A 516 1.605 10.192 -14.988 1.00 0.00 O ATOM 1433 CB LYS A 516 1.302 11.006 -12.204 1.00 0.00 C ATOM 1434 CG LYS A 516 2.607 11.097 -11.449 1.00 0.00 C ATOM 1435 CD LYS A 516 3.786 10.918 -12.384 1.00 0.00 C ATOM 1436 CE LYS A 516 4.910 10.136 -11.725 1.00 0.00 C ATOM 1437 NZ LYS A 516 6.249 10.565 -12.215 1.00 0.00 N ATOM 0 H LYS A 516 2.886 8.712 -12.971 1.00 0.00 H new ATOM 0 HA LYS A 516 0.086 9.256 -12.276 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.323 11.708 -13.037 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.488 11.315 -11.548 1.00 0.00 H new ATOM 0 HG2 LYS A 516 2.677 12.064 -10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 516 2.636 10.334 -10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.461 10.398 -13.285 1.00 0.00 H new ATOM 0 HD3 LYS A 516 4.156 11.895 -12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 516 4.859 10.269 -10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.776 9.072 -11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 6.987 10.007 -11.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 6.307 10.414 -13.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.389 11.574 -12.005 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.300 9.030 -14.681 1.00 0.00 N ATOM 1452 CA GLU A 517 -0.637 8.977 -16.091 1.00 0.00 C ATOM 1453 C GLU A 517 -0.842 10.377 -16.659 1.00 0.00 C ATOM 1454 O GLU A 517 -1.984 10.878 -16.601 1.00 0.00 O ATOM 1455 CB GLU A 517 -1.902 8.142 -16.286 1.00 0.00 C ATOM 1456 CG GLU A 517 -2.992 8.428 -15.265 1.00 0.00 C ATOM 1457 CD GLU A 517 -4.374 8.059 -15.768 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -4.470 7.161 -16.631 1.00 0.00 O ATOM 1459 OE2 GLU A 517 -5.359 8.667 -15.299 1.00 0.00 O ATOM 1460 OXT GLU A 517 0.143 10.963 -17.157 1.00 0.00 O ATOM 0 H GLU A 517 -0.974 8.566 -14.071 1.00 0.00 H new ATOM 0 HA GLU A 517 0.192 8.513 -16.627 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -2.297 8.326 -17.285 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -1.639 7.085 -16.236 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -2.782 7.873 -14.350 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -2.974 9.487 -15.007 1.00 0.00 H new TER 1467 GLU A 517