USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 702 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 491 ASN : amide:sc=-0.00379 K(o=-0.0038,f=-1.4) USER MOD Set 1.2: A 495 GLN : amide:sc= 0 K(o=-0.0038,f=-1.1) USER MOD Single : A 453 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot -15:sc= 0.362 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -109:sc= -1.71 (180deg=-4.45!) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 THR OG1 : rot -110:sc= -0.0282 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ -147:sc= -0.0699 (180deg=-0.581) USER MOD Single : A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN : amide:sc= -0.949 K(o=-0.95,f=-1.7) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ -172:sc= -1.19 (180deg=-1.55) USER MOD Single : A 481 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.112) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 485 SER OG : rot 180:sc= -0.143 USER MOD Single : A 486 SER OG : rot -93:sc= 1.2 USER MOD Single : A 488 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.25) USER MOD Single : A 489 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.89) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 164:sc= -0.0172 (180deg=-0.28) USER MOD Single : A 508 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.14) USER MOD Single : A 510 LYS NZ :NH3+ -165:sc= -0.0409 (180deg=-0.354) USER MOD Single : A 511 MET CE :methyl 165:sc=-0.00758 (180deg=-0.22) USER MOD Single : A 512 HIS :FLIP no HE2:sc= -3.52! C(o=-4!,f=-3.5!) USER MOD Single : A 514 SER OG : rot 41:sc= 0.0688 USER MOD Single : A 516 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0947) USER MOD Single : B 949 MET CE :methyl 139:sc= -3.5! (180deg=-8.01!) USER MOD Single : B 951 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 958 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 961 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N GLN A 453 -14.140 6.660 1.235 1.00 0.00 N ATOM 30 CA GLN A 453 -13.716 5.700 2.248 1.00 0.00 C ATOM 31 C GLN A 453 -12.703 4.715 1.673 1.00 0.00 C ATOM 32 O GLN A 453 -12.649 4.500 0.461 1.00 0.00 O ATOM 33 CB GLN A 453 -14.925 4.941 2.800 1.00 0.00 C ATOM 34 CG GLN A 453 -15.933 5.834 3.503 1.00 0.00 C ATOM 35 CD GLN A 453 -17.138 5.065 4.009 1.00 0.00 C ATOM 36 OE1 GLN A 453 -17.356 3.913 3.637 1.00 0.00 O ATOM 37 NE2 GLN A 453 -17.930 5.703 4.864 1.00 0.00 N ATOM 0 HA GLN A 453 -13.241 6.252 3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -15.422 4.421 1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -14.578 4.179 3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -15.448 6.335 4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -16.265 6.612 2.816 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -17.711 6.659 5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -18.756 5.237 5.239 1.00 0.00 H new ATOM 46 N VAL A 454 -11.899 4.121 2.549 1.00 0.00 N ATOM 47 CA VAL A 454 -10.887 3.160 2.127 1.00 0.00 C ATOM 48 C VAL A 454 -11.271 1.743 2.538 1.00 0.00 C ATOM 49 O VAL A 454 -11.607 1.490 3.696 1.00 0.00 O ATOM 50 CB VAL A 454 -9.508 3.499 2.723 1.00 0.00 C ATOM 51 CG1 VAL A 454 -8.434 2.600 2.131 1.00 0.00 C ATOM 52 CG2 VAL A 454 -9.174 4.965 2.493 1.00 0.00 C ATOM 0 H VAL A 454 -11.929 4.288 3.555 1.00 0.00 H new ATOM 0 HA VAL A 454 -10.829 3.218 1.040 1.00 0.00 H new ATOM 0 HB VAL A 454 -9.543 3.322 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.467 2.855 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -8.668 1.559 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -8.396 2.741 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -8.196 5.187 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.157 5.171 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.929 5.589 2.971 1.00 0.00 H new ATOM 62 N THR A 455 -11.219 0.820 1.583 1.00 0.00 N ATOM 63 CA THR A 455 -11.561 -0.573 1.844 1.00 0.00 C ATOM 64 C THR A 455 -10.461 -1.505 1.349 1.00 0.00 C ATOM 65 O THR A 455 -9.838 -1.255 0.317 1.00 0.00 O ATOM 66 CB THR A 455 -12.888 -0.930 1.173 1.00 0.00 C ATOM 67 OG1 THR A 455 -13.915 -0.048 1.591 1.00 0.00 O ATOM 68 CG2 THR A 455 -13.348 -2.341 1.468 1.00 0.00 C ATOM 0 H THR A 455 -10.943 1.012 0.620 1.00 0.00 H new ATOM 0 HA THR A 455 -11.662 -0.700 2.922 1.00 0.00 H new ATOM 0 HB THR A 455 -12.702 -0.842 0.103 1.00 0.00 H new ATOM 0 HG1 THR A 455 -14.755 -0.292 1.150 1.00 0.00 H new ATOM 0 HG21 THR A 455 -14.295 -2.528 0.962 1.00 0.00 H new ATOM 0 HG22 THR A 455 -12.600 -3.049 1.112 1.00 0.00 H new ATOM 0 HG23 THR A 455 -13.481 -2.463 2.543 1.00 0.00 H new ATOM 76 N GLU A 456 -10.225 -2.583 2.092 1.00 0.00 N ATOM 77 CA GLU A 456 -9.199 -3.554 1.728 1.00 0.00 C ATOM 78 C GLU A 456 -9.478 -4.150 0.352 1.00 0.00 C ATOM 79 O GLU A 456 -8.558 -4.398 -0.427 1.00 0.00 O ATOM 80 CB GLU A 456 -9.129 -4.668 2.773 1.00 0.00 C ATOM 81 CG GLU A 456 -7.981 -5.641 2.549 1.00 0.00 C ATOM 82 CD GLU A 456 -7.992 -6.796 3.531 1.00 0.00 C ATOM 83 OE1 GLU A 456 -8.915 -6.853 4.372 1.00 0.00 O ATOM 84 OE2 GLU A 456 -7.079 -7.645 3.458 1.00 0.00 O ATOM 0 H GLU A 456 -10.731 -2.806 2.949 1.00 0.00 H new ATOM 0 HA GLU A 456 -8.240 -3.037 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -9.028 -4.221 3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -10.069 -5.220 2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -8.035 -6.033 1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -7.035 -5.106 2.634 1.00 0.00 H new ATOM 91 N ASP A 457 -10.754 -4.378 0.059 1.00 0.00 N ATOM 92 CA ASP A 457 -11.155 -4.946 -1.222 1.00 0.00 C ATOM 93 C ASP A 457 -10.769 -4.023 -2.374 1.00 0.00 C ATOM 94 O ASP A 457 -10.293 -4.478 -3.414 1.00 0.00 O ATOM 95 CB ASP A 457 -12.663 -5.201 -1.242 1.00 0.00 C ATOM 96 CG ASP A 457 -13.083 -6.268 -0.249 1.00 0.00 C ATOM 97 OD1 ASP A 457 -12.206 -7.025 0.215 1.00 0.00 O ATOM 98 OD2 ASP A 457 -14.290 -6.348 0.062 1.00 0.00 O ATOM 0 H ASP A 457 -11.528 -4.178 0.692 1.00 0.00 H new ATOM 0 HA ASP A 457 -10.631 -5.893 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -13.189 -4.273 -1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -12.964 -5.503 -2.245 1.00 0.00 H new ATOM 103 N ALA A 458 -10.978 -2.725 -2.182 1.00 0.00 N ATOM 104 CA ALA A 458 -10.653 -1.739 -3.206 1.00 0.00 C ATOM 105 C ALA A 458 -9.157 -1.727 -3.504 1.00 0.00 C ATOM 106 O ALA A 458 -8.746 -1.769 -4.663 1.00 0.00 O ATOM 107 CB ALA A 458 -11.117 -0.356 -2.772 1.00 0.00 C ATOM 0 H ALA A 458 -11.371 -2.331 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 458 -11.176 -2.017 -4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -10.868 0.371 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -12.196 -0.366 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -10.620 -0.081 -1.842 1.00 0.00 H new ATOM 113 N VAL A 459 -8.349 -1.671 -2.451 1.00 0.00 N ATOM 114 CA VAL A 459 -6.899 -1.654 -2.601 1.00 0.00 C ATOM 115 C VAL A 459 -6.393 -2.965 -3.195 1.00 0.00 C ATOM 116 O VAL A 459 -5.462 -2.976 -4.000 1.00 0.00 O ATOM 117 CB VAL A 459 -6.196 -1.409 -1.250 1.00 0.00 C ATOM 118 CG1 VAL A 459 -4.694 -1.264 -1.444 1.00 0.00 C ATOM 119 CG2 VAL A 459 -6.774 -0.180 -0.563 1.00 0.00 C ATOM 0 H VAL A 459 -8.674 -1.637 -1.485 1.00 0.00 H new ATOM 0 HA VAL A 459 -6.661 -0.835 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 459 -6.372 -2.273 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -4.217 -1.092 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -4.295 -2.176 -1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -4.492 -0.420 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -6.266 -0.022 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -6.631 0.693 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -7.839 -0.330 -0.385 1.00 0.00 H new ATOM 129 N ARG A 460 -7.011 -4.069 -2.789 1.00 0.00 N ATOM 130 CA ARG A 460 -6.625 -5.388 -3.276 1.00 0.00 C ATOM 131 C ARG A 460 -6.738 -5.466 -4.797 1.00 0.00 C ATOM 132 O ARG A 460 -5.932 -6.125 -5.455 1.00 0.00 O ATOM 133 CB ARG A 460 -7.496 -6.468 -2.632 1.00 0.00 C ATOM 134 CG ARG A 460 -6.951 -7.876 -2.807 1.00 0.00 C ATOM 135 CD ARG A 460 -7.828 -8.903 -2.109 1.00 0.00 C ATOM 136 NE ARG A 460 -7.161 -10.197 -1.986 1.00 0.00 N ATOM 137 CZ ARG A 460 -7.552 -11.155 -1.147 1.00 0.00 C ATOM 138 NH1 ARG A 460 -8.605 -10.969 -0.360 1.00 0.00 N ATOM 139 NH2 ARG A 460 -6.889 -12.302 -1.096 1.00 0.00 N ATOM 0 H ARG A 460 -7.783 -4.076 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 460 -5.584 -5.557 -3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -7.595 -6.256 -1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -8.497 -6.419 -3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -6.886 -8.113 -3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -5.939 -7.928 -2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -8.096 -8.537 -1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -8.757 -9.025 -2.666 1.00 0.00 H new ATOM 0 HE ARG A 460 -6.349 -10.377 -2.577 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -9.119 -10.089 -0.396 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -8.900 -11.706 0.280 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -6.080 -12.451 -1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -7.188 -13.036 -0.454 1.00 0.00 H new ATOM 153 N ARG A 461 -7.741 -4.792 -5.348 1.00 0.00 N ATOM 154 CA ARG A 461 -7.958 -4.787 -6.791 1.00 0.00 C ATOM 155 C ARG A 461 -6.734 -4.255 -7.529 1.00 0.00 C ATOM 156 O ARG A 461 -6.382 -4.744 -8.602 1.00 0.00 O ATOM 157 CB ARG A 461 -9.185 -3.943 -7.142 1.00 0.00 C ATOM 158 CG ARG A 461 -10.499 -4.565 -6.701 1.00 0.00 C ATOM 159 CD ARG A 461 -11.689 -3.730 -7.147 1.00 0.00 C ATOM 160 NE ARG A 461 -12.936 -4.184 -6.536 1.00 0.00 N ATOM 161 CZ ARG A 461 -13.620 -5.248 -6.950 1.00 0.00 C ATOM 162 NH1 ARG A 461 -13.183 -5.969 -7.974 1.00 0.00 N ATOM 163 NH2 ARG A 461 -14.744 -5.592 -6.337 1.00 0.00 N ATOM 0 H ARG A 461 -8.417 -4.242 -4.818 1.00 0.00 H new ATOM 0 HA ARG A 461 -8.129 -5.816 -7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -9.084 -2.961 -6.679 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -9.211 -3.786 -8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -10.583 -5.570 -7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -10.509 -4.664 -5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -11.517 -2.686 -6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -11.779 -3.777 -8.232 1.00 0.00 H new ATOM 0 HE ARG A 461 -13.304 -3.654 -5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -12.318 -5.709 -8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -13.712 -6.783 -8.287 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -15.084 -5.041 -5.549 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -15.269 -6.407 -6.654 1.00 0.00 H new ATOM 177 N TYR A 462 -6.088 -3.251 -6.947 1.00 0.00 N ATOM 178 CA TYR A 462 -4.903 -2.652 -7.552 1.00 0.00 C ATOM 179 C TYR A 462 -3.734 -3.633 -7.554 1.00 0.00 C ATOM 180 O TYR A 462 -2.997 -3.732 -8.534 1.00 0.00 O ATOM 181 CB TYR A 462 -4.512 -1.377 -6.802 1.00 0.00 C ATOM 182 CG TYR A 462 -5.538 -0.272 -6.907 1.00 0.00 C ATOM 183 CD1 TYR A 462 -6.610 -0.208 -6.028 1.00 0.00 C ATOM 184 CD2 TYR A 462 -5.432 0.708 -7.887 1.00 0.00 C ATOM 185 CE1 TYR A 462 -7.549 0.802 -6.120 1.00 0.00 C ATOM 186 CE2 TYR A 462 -6.367 1.721 -7.985 1.00 0.00 C ATOM 187 CZ TYR A 462 -7.423 1.764 -7.101 1.00 0.00 C ATOM 188 OH TYR A 462 -8.356 2.770 -7.196 1.00 0.00 O ATOM 0 H TYR A 462 -6.364 -2.835 -6.058 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.142 -2.400 -8.585 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -4.357 -1.618 -5.750 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -3.560 -1.015 -7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -6.712 -0.960 -5.259 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.606 0.677 -8.583 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.377 0.838 -5.428 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -6.270 2.476 -8.751 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.121 3.365 -7.938 1.00 0.00 H new ATOM 198 N LEU A 463 -3.570 -4.354 -6.449 1.00 0.00 N ATOM 199 CA LEU A 463 -2.487 -5.323 -6.325 1.00 0.00 C ATOM 200 C LEU A 463 -2.742 -6.546 -7.200 1.00 0.00 C ATOM 201 O LEU A 463 -1.834 -7.044 -7.866 1.00 0.00 O ATOM 202 CB LEU A 463 -2.326 -5.752 -4.865 1.00 0.00 C ATOM 203 CG LEU A 463 -1.820 -4.658 -3.924 1.00 0.00 C ATOM 204 CD1 LEU A 463 -2.989 -3.926 -3.281 1.00 0.00 C ATOM 205 CD2 LEU A 463 -0.908 -5.251 -2.860 1.00 0.00 C ATOM 0 H LEU A 463 -4.172 -4.286 -5.628 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.567 -4.845 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -3.288 -6.110 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 463 -1.636 -6.595 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.244 -3.939 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 463 -2.611 -3.151 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 463 -3.603 -3.469 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 463 -3.591 -4.633 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.557 -4.459 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 463 -1.459 -5.990 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -0.053 -5.729 -3.339 1.00 0.00 H new ATOM 217 N THR A 464 -3.981 -7.026 -7.195 1.00 0.00 N ATOM 218 CA THR A 464 -4.353 -8.188 -7.986 1.00 0.00 C ATOM 219 C THR A 464 -4.165 -7.920 -9.477 1.00 0.00 C ATOM 220 O THR A 464 -3.956 -8.845 -10.261 1.00 0.00 O ATOM 221 CB THR A 464 -5.804 -8.566 -7.701 1.00 0.00 C ATOM 222 OG1 THR A 464 -6.682 -7.534 -8.112 1.00 0.00 O ATOM 223 CG2 THR A 464 -6.074 -8.844 -6.238 1.00 0.00 C ATOM 0 H THR A 464 -4.744 -6.626 -6.650 1.00 0.00 H new ATOM 0 HA THR A 464 -3.702 -9.016 -7.706 1.00 0.00 H new ATOM 0 HB THR A 464 -5.980 -9.481 -8.266 1.00 0.00 H new ATOM 0 HG1 THR A 464 -6.172 -6.710 -8.259 1.00 0.00 H new ATOM 0 HG21 THR A 464 -7.124 -9.107 -6.105 1.00 0.00 H new ATOM 0 HG22 THR A 464 -5.448 -9.671 -5.903 1.00 0.00 H new ATOM 0 HG23 THR A 464 -5.845 -7.955 -5.650 1.00 0.00 H new ATOM 231 N ARG A 465 -4.240 -6.650 -9.862 1.00 0.00 N ATOM 232 CA ARG A 465 -4.077 -6.265 -11.258 1.00 0.00 C ATOM 233 C ARG A 465 -2.616 -6.356 -11.679 1.00 0.00 C ATOM 234 O ARG A 465 -2.257 -7.143 -12.555 1.00 0.00 O ATOM 235 CB ARG A 465 -4.598 -4.844 -11.483 1.00 0.00 C ATOM 236 CG ARG A 465 -6.107 -4.767 -11.639 1.00 0.00 C ATOM 237 CD ARG A 465 -6.569 -5.433 -12.926 1.00 0.00 C ATOM 238 NE ARG A 465 -7.983 -5.185 -13.194 1.00 0.00 N ATOM 239 CZ ARG A 465 -8.550 -5.344 -14.388 1.00 0.00 C ATOM 240 NH1 ARG A 465 -7.828 -5.750 -15.424 1.00 0.00 N ATOM 241 NH2 ARG A 465 -9.843 -5.096 -14.545 1.00 0.00 N ATOM 0 H ARG A 465 -4.413 -5.871 -9.227 1.00 0.00 H new ATOM 0 HA ARG A 465 -4.657 -6.957 -11.869 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -4.296 -4.218 -10.644 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -4.127 -4.430 -12.375 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -6.587 -5.248 -10.787 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -6.421 -3.723 -11.635 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -5.972 -5.064 -13.760 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -6.395 -6.507 -12.861 1.00 0.00 H new ATOM 0 HE ARG A 465 -8.570 -4.872 -12.421 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -6.833 -5.942 -15.308 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -8.268 -5.870 -16.336 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -10.402 -4.784 -13.751 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -10.278 -5.218 -15.459 1.00 0.00 H new ATOM 255 N LYS A 466 -1.781 -5.544 -11.048 1.00 0.00 N ATOM 256 CA LYS A 466 -0.355 -5.525 -11.350 1.00 0.00 C ATOM 257 C LYS A 466 0.464 -5.234 -10.094 1.00 0.00 C ATOM 258 O LYS A 466 -0.028 -4.609 -9.155 1.00 0.00 O ATOM 259 CB LYS A 466 -0.054 -4.476 -12.422 1.00 0.00 C ATOM 260 CG LYS A 466 -0.522 -3.078 -12.053 1.00 0.00 C ATOM 261 CD LYS A 466 -0.662 -2.194 -13.282 1.00 0.00 C ATOM 262 CE LYS A 466 -2.102 -2.132 -13.762 1.00 0.00 C ATOM 263 NZ LYS A 466 -2.402 -0.849 -14.455 1.00 0.00 N ATOM 0 H LYS A 466 -2.066 -4.887 -10.321 1.00 0.00 H new ATOM 0 HA LYS A 466 -0.075 -6.510 -11.725 1.00 0.00 H new ATOM 0 HB2 LYS A 466 1.020 -4.454 -12.605 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -0.531 -4.775 -13.355 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -1.480 -3.139 -11.536 1.00 0.00 H new ATOM 0 HG3 LYS A 466 0.187 -2.627 -11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -0.311 -1.188 -13.050 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -0.027 -2.577 -14.081 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -2.295 -2.964 -14.439 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -2.773 -2.251 -12.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -3.394 -0.847 -14.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -2.243 -0.056 -13.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -1.779 -0.747 -15.282 1.00 0.00 H new ATOM 277 N PRO A 467 1.729 -5.685 -10.062 1.00 0.00 N ATOM 278 CA PRO A 467 2.615 -5.470 -8.914 1.00 0.00 C ATOM 279 C PRO A 467 2.774 -3.990 -8.575 1.00 0.00 C ATOM 280 O PRO A 467 2.995 -3.162 -9.458 1.00 0.00 O ATOM 281 CB PRO A 467 3.954 -6.056 -9.372 1.00 0.00 C ATOM 282 CG PRO A 467 3.603 -7.015 -10.457 1.00 0.00 C ATOM 283 CD PRO A 467 2.395 -6.440 -11.139 1.00 0.00 C ATOM 0 HA PRO A 467 2.222 -5.933 -8.009 1.00 0.00 H new ATOM 0 HB2 PRO A 467 4.623 -5.276 -9.736 1.00 0.00 H new ATOM 0 HB3 PRO A 467 4.467 -6.558 -8.552 1.00 0.00 H new ATOM 0 HG2 PRO A 467 4.429 -7.131 -11.158 1.00 0.00 H new ATOM 0 HG3 PRO A 467 3.389 -8.003 -10.051 1.00 0.00 H new ATOM 0 HD2 PRO A 467 2.672 -5.794 -11.972 1.00 0.00 H new ATOM 0 HD3 PRO A 467 1.750 -7.221 -11.542 1.00 0.00 H new ATOM 291 N MET A 468 2.659 -3.667 -7.291 1.00 0.00 N ATOM 292 CA MET A 468 2.791 -2.287 -6.836 1.00 0.00 C ATOM 293 C MET A 468 3.453 -2.228 -5.464 1.00 0.00 C ATOM 294 O MET A 468 3.232 -3.097 -4.621 1.00 0.00 O ATOM 295 CB MET A 468 1.419 -1.613 -6.784 1.00 0.00 C ATOM 296 CG MET A 468 0.720 -1.552 -8.132 1.00 0.00 C ATOM 297 SD MET A 468 -0.815 -0.608 -8.076 1.00 0.00 S ATOM 298 CE MET A 468 -0.183 1.063 -7.964 1.00 0.00 C ATOM 0 H MET A 468 2.475 -4.341 -6.548 1.00 0.00 H new ATOM 0 HA MET A 468 3.423 -1.754 -7.547 1.00 0.00 H new ATOM 0 HB2 MET A 468 0.785 -2.152 -6.079 1.00 0.00 H new ATOM 0 HB3 MET A 468 1.535 -0.600 -6.398 1.00 0.00 H new ATOM 0 HG2 MET A 468 1.391 -1.104 -8.865 1.00 0.00 H new ATOM 0 HG3 MET A 468 0.507 -2.565 -8.473 1.00 0.00 H new ATOM 0 HE1 MET A 468 -0.371 1.457 -6.965 1.00 0.00 H new ATOM 0 HE2 MET A 468 0.890 1.060 -8.157 1.00 0.00 H new ATOM 0 HE3 MET A 468 -0.682 1.691 -8.702 1.00 0.00 H new ATOM 308 N THR A 469 4.262 -1.197 -5.246 1.00 0.00 N ATOM 309 CA THR A 469 4.953 -1.025 -3.974 1.00 0.00 C ATOM 310 C THR A 469 4.063 -0.308 -2.965 1.00 0.00 C ATOM 311 O THR A 469 3.019 0.237 -3.321 1.00 0.00 O ATOM 312 CB THR A 469 6.251 -0.241 -4.177 1.00 0.00 C ATOM 313 OG1 THR A 469 5.977 1.125 -4.433 1.00 0.00 O ATOM 314 CG2 THR A 469 7.093 -0.762 -5.321 1.00 0.00 C ATOM 0 H THR A 469 4.455 -0.468 -5.933 1.00 0.00 H new ATOM 0 HA THR A 469 5.192 -2.013 -3.581 1.00 0.00 H new ATOM 0 HB THR A 469 6.811 -0.365 -3.250 1.00 0.00 H new ATOM 0 HG1 THR A 469 6.819 1.610 -4.558 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.998 -0.161 -5.410 1.00 0.00 H new ATOM 0 HG22 THR A 469 7.364 -1.800 -5.130 1.00 0.00 H new ATOM 0 HG23 THR A 469 6.524 -0.700 -6.249 1.00 0.00 H new ATOM 322 N THR A 470 4.484 -0.311 -1.704 1.00 0.00 N ATOM 323 CA THR A 470 3.723 0.340 -0.643 1.00 0.00 C ATOM 324 C THR A 470 3.499 1.815 -0.960 1.00 0.00 C ATOM 325 O THR A 470 2.409 2.347 -0.749 1.00 0.00 O ATOM 326 CB THR A 470 4.452 0.198 0.694 1.00 0.00 C ATOM 327 OG1 THR A 470 5.820 0.535 0.557 1.00 0.00 O ATOM 328 CG2 THR A 470 4.377 -1.199 1.272 1.00 0.00 C ATOM 0 H THR A 470 5.347 -0.756 -1.392 1.00 0.00 H new ATOM 0 HA THR A 470 2.751 -0.149 -0.574 1.00 0.00 H new ATOM 0 HB THR A 470 3.944 0.881 1.374 1.00 0.00 H new ATOM 0 HG1 THR A 470 6.367 -0.274 0.645 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.914 -1.230 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.334 -1.469 1.437 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.829 -1.906 0.576 1.00 0.00 H new ATOM 336 N LYS A 471 4.537 2.469 -1.470 1.00 0.00 N ATOM 337 CA LYS A 471 4.454 3.882 -1.820 1.00 0.00 C ATOM 338 C LYS A 471 3.373 4.120 -2.869 1.00 0.00 C ATOM 339 O LYS A 471 2.676 5.135 -2.842 1.00 0.00 O ATOM 340 CB LYS A 471 5.803 4.383 -2.341 1.00 0.00 C ATOM 341 CG LYS A 471 6.894 4.405 -1.284 1.00 0.00 C ATOM 342 CD LYS A 471 8.202 4.939 -1.845 1.00 0.00 C ATOM 343 CE LYS A 471 9.324 4.849 -0.823 1.00 0.00 C ATOM 344 NZ LYS A 471 10.598 5.416 -1.346 1.00 0.00 N ATOM 0 H LYS A 471 5.446 2.043 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 471 4.192 4.437 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 471 6.122 3.748 -3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 471 5.677 5.389 -2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 471 6.577 5.024 -0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 471 7.047 3.398 -0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 471 8.474 4.374 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 471 8.071 5.976 -2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 471 9.034 5.382 0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 471 9.478 3.807 -0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 11.338 5.336 -0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 10.889 4.891 -2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 10.458 6.418 -1.589 1.00 0.00 H new ATOM 358 N ASP A 472 3.239 3.175 -3.795 1.00 0.00 N ATOM 359 CA ASP A 472 2.245 3.279 -4.857 1.00 0.00 C ATOM 360 C ASP A 472 0.833 3.321 -4.281 1.00 0.00 C ATOM 361 O ASP A 472 -0.050 3.984 -4.824 1.00 0.00 O ATOM 362 CB ASP A 472 2.377 2.102 -5.825 1.00 0.00 C ATOM 363 CG ASP A 472 3.691 2.121 -6.584 1.00 0.00 C ATOM 364 OD1 ASP A 472 4.350 3.182 -6.601 1.00 0.00 O ATOM 365 OD2 ASP A 472 4.058 1.077 -7.160 1.00 0.00 O ATOM 0 H ASP A 472 3.807 2.328 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 472 2.425 4.208 -5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 472 2.295 1.168 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 472 1.550 2.125 -6.535 1.00 0.00 H new ATOM 370 N LEU A 473 0.627 2.607 -3.181 1.00 0.00 N ATOM 371 CA LEU A 473 -0.679 2.563 -2.532 1.00 0.00 C ATOM 372 C LEU A 473 -0.929 3.827 -1.715 1.00 0.00 C ATOM 373 O LEU A 473 -2.060 4.304 -1.623 1.00 0.00 O ATOM 374 CB LEU A 473 -0.780 1.331 -1.630 1.00 0.00 C ATOM 375 CG LEU A 473 -0.484 -0.003 -2.319 1.00 0.00 C ATOM 376 CD1 LEU A 473 -0.695 -1.158 -1.354 1.00 0.00 C ATOM 377 CD2 LEU A 473 -1.359 -0.169 -3.552 1.00 0.00 C ATOM 0 H LEU A 473 1.347 2.051 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.440 2.502 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.089 1.453 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.784 1.290 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 473 0.559 -0.006 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -0.480 -2.099 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 473 -0.028 -1.045 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -1.729 -1.160 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -1.136 -1.123 -4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.409 -0.146 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -1.160 0.643 -4.251 1.00 0.00 H new ATOM 389 N LEU A 474 0.131 4.361 -1.117 1.00 0.00 N ATOM 390 CA LEU A 474 0.023 5.565 -0.301 1.00 0.00 C ATOM 391 C LEU A 474 -0.061 6.820 -1.165 1.00 0.00 C ATOM 392 O LEU A 474 -0.821 7.739 -0.864 1.00 0.00 O ATOM 393 CB LEU A 474 1.216 5.667 0.653 1.00 0.00 C ATOM 394 CG LEU A 474 0.990 5.056 2.037 1.00 0.00 C ATOM 395 CD1 LEU A 474 2.320 4.765 2.715 1.00 0.00 C ATOM 396 CD2 LEU A 474 0.142 5.984 2.895 1.00 0.00 C ATOM 0 H LEU A 474 1.075 3.979 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 474 -0.897 5.492 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 474 2.074 5.178 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 474 1.476 6.718 0.774 1.00 0.00 H new ATOM 0 HG LEU A 474 0.455 4.114 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 474 2.140 4.331 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 474 2.892 4.063 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 474 2.883 5.692 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -0.010 5.535 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 474 0.651 6.941 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.824 6.142 2.415 1.00 0.00 H new ATOM 408 N LYS A 475 0.727 6.859 -2.236 1.00 0.00 N ATOM 409 CA LYS A 475 0.736 8.011 -3.133 1.00 0.00 C ATOM 410 C LYS A 475 -0.660 8.292 -3.683 1.00 0.00 C ATOM 411 O LYS A 475 -1.000 9.438 -3.977 1.00 0.00 O ATOM 412 CB LYS A 475 1.716 7.784 -4.287 1.00 0.00 C ATOM 413 CG LYS A 475 1.323 6.639 -5.205 1.00 0.00 C ATOM 414 CD LYS A 475 2.301 6.490 -6.359 1.00 0.00 C ATOM 415 CE LYS A 475 2.281 7.708 -7.269 1.00 0.00 C ATOM 416 NZ LYS A 475 3.394 8.648 -6.963 1.00 0.00 N ATOM 0 H LYS A 475 1.365 6.110 -2.503 1.00 0.00 H new ATOM 0 HA LYS A 475 1.059 8.878 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 475 1.791 8.699 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 475 2.707 7.586 -3.877 1.00 0.00 H new ATOM 0 HG2 LYS A 475 1.287 5.710 -4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 475 0.321 6.812 -5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 475 3.308 6.344 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 475 2.051 5.600 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 475 2.353 7.386 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 475 1.328 8.226 -7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 3.083 9.624 -7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 3.668 8.548 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 4.210 8.429 -7.570 1.00 0.00 H new ATOM 430 N LYS A 476 -1.463 7.242 -3.818 1.00 0.00 N ATOM 431 CA LYS A 476 -2.822 7.384 -4.330 1.00 0.00 C ATOM 432 C LYS A 476 -3.666 8.256 -3.407 1.00 0.00 C ATOM 433 O LYS A 476 -4.506 9.032 -3.865 1.00 0.00 O ATOM 434 CB LYS A 476 -3.474 6.009 -4.491 1.00 0.00 C ATOM 435 CG LYS A 476 -2.899 5.193 -5.637 1.00 0.00 C ATOM 436 CD LYS A 476 -3.201 5.832 -6.982 1.00 0.00 C ATOM 437 CE LYS A 476 -2.724 4.959 -8.132 1.00 0.00 C ATOM 438 NZ LYS A 476 -1.383 5.377 -8.626 1.00 0.00 N ATOM 0 H LYS A 476 -1.198 6.286 -3.581 1.00 0.00 H new ATOM 0 HA LYS A 476 -2.767 7.869 -5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -3.356 5.450 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -4.544 6.140 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -1.820 5.098 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -3.313 4.185 -5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -4.274 6.002 -7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -2.718 6.808 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -2.683 3.920 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -3.444 5.009 -8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -1.093 4.758 -9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -1.427 6.361 -8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -0.690 5.305 -7.853 1.00 0.00 H new ATOM 452 N PHE A 477 -3.439 8.125 -2.103 1.00 0.00 N ATOM 453 CA PHE A 477 -4.181 8.903 -1.116 1.00 0.00 C ATOM 454 C PHE A 477 -3.229 9.629 -0.170 1.00 0.00 C ATOM 455 O PHE A 477 -3.554 9.859 0.995 1.00 0.00 O ATOM 456 CB PHE A 477 -5.114 7.991 -0.317 1.00 0.00 C ATOM 457 CG PHE A 477 -6.043 7.182 -1.175 1.00 0.00 C ATOM 458 CD1 PHE A 477 -5.549 6.193 -2.012 1.00 0.00 C ATOM 459 CD2 PHE A 477 -7.410 7.408 -1.144 1.00 0.00 C ATOM 460 CE1 PHE A 477 -6.402 5.446 -2.803 1.00 0.00 C ATOM 461 CE2 PHE A 477 -8.267 6.664 -1.932 1.00 0.00 C ATOM 462 CZ PHE A 477 -7.762 5.681 -2.763 1.00 0.00 C ATOM 0 H PHE A 477 -2.748 7.488 -1.706 1.00 0.00 H new ATOM 0 HA PHE A 477 -4.776 9.647 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -4.514 7.315 0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -5.703 8.599 0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -4.486 6.004 -2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -7.810 8.174 -0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -6.005 4.679 -3.452 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -9.330 6.850 -1.899 1.00 0.00 H new ATOM 0 HZ PHE A 477 -8.430 5.098 -3.380 1.00 0.00 H new ATOM 472 N GLN A 478 -2.054 9.985 -0.677 1.00 0.00 N ATOM 473 CA GLN A 478 -1.055 10.682 0.126 1.00 0.00 C ATOM 474 C GLN A 478 -1.505 12.103 0.449 1.00 0.00 C ATOM 475 O GLN A 478 -1.425 12.544 1.595 1.00 0.00 O ATOM 476 CB GLN A 478 0.288 10.713 -0.606 1.00 0.00 C ATOM 477 CG GLN A 478 0.250 11.482 -1.916 1.00 0.00 C ATOM 478 CD GLN A 478 1.552 11.381 -2.689 1.00 0.00 C ATOM 479 OE1 GLN A 478 2.591 11.028 -2.132 1.00 0.00 O ATOM 480 NE2 GLN A 478 1.499 11.693 -3.978 1.00 0.00 N ATOM 0 H GLN A 478 -1.770 9.803 -1.639 1.00 0.00 H new ATOM 0 HA GLN A 478 -0.938 10.138 1.063 1.00 0.00 H new ATOM 0 HB2 GLN A 478 1.038 11.161 0.047 1.00 0.00 H new ATOM 0 HB3 GLN A 478 0.608 9.690 -0.804 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -0.565 11.102 -2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 478 0.033 12.531 -1.712 1.00 0.00 H new ATOM 0 HE21 GLN A 478 0.615 11.981 -4.397 1.00 0.00 H new ATOM 0 HE22 GLN A 478 2.343 11.645 -4.549 1.00 0.00 H new ATOM 489 N THR A 479 -1.977 12.817 -0.569 1.00 0.00 N ATOM 490 CA THR A 479 -2.437 14.189 -0.389 1.00 0.00 C ATOM 491 C THR A 479 -3.709 14.452 -1.189 1.00 0.00 C ATOM 492 O THR A 479 -3.977 15.585 -1.590 1.00 0.00 O ATOM 493 CB THR A 479 -1.344 15.173 -0.808 1.00 0.00 C ATOM 494 OG1 THR A 479 -1.078 15.066 -2.195 1.00 0.00 O ATOM 495 CG2 THR A 479 -0.038 14.966 -0.073 1.00 0.00 C ATOM 0 H THR A 479 -2.051 12.469 -1.525 1.00 0.00 H new ATOM 0 HA THR A 479 -2.662 14.332 0.668 1.00 0.00 H new ATOM 0 HB THR A 479 -1.732 16.160 -0.555 1.00 0.00 H new ATOM 0 HG1 THR A 479 -0.377 15.704 -2.444 1.00 0.00 H new ATOM 0 HG21 THR A 479 0.693 15.697 -0.418 1.00 0.00 H new ATOM 0 HG22 THR A 479 -0.199 15.092 0.998 1.00 0.00 H new ATOM 0 HG23 THR A 479 0.334 13.960 -0.268 1.00 0.00 H new ATOM 503 N LYS A 480 -4.490 13.401 -1.418 1.00 0.00 N ATOM 504 CA LYS A 480 -5.733 13.526 -2.169 1.00 0.00 C ATOM 505 C LYS A 480 -6.926 13.650 -1.227 1.00 0.00 C ATOM 506 O LYS A 480 -6.926 13.089 -0.132 1.00 0.00 O ATOM 507 CB LYS A 480 -5.922 12.320 -3.092 1.00 0.00 C ATOM 508 CG LYS A 480 -4.890 12.240 -4.206 1.00 0.00 C ATOM 509 CD LYS A 480 -5.307 11.249 -5.281 1.00 0.00 C ATOM 510 CE LYS A 480 -6.106 11.926 -6.382 1.00 0.00 C ATOM 511 NZ LYS A 480 -7.331 12.588 -5.854 1.00 0.00 N ATOM 0 H LYS A 480 -4.284 12.456 -1.095 1.00 0.00 H new ATOM 0 HA LYS A 480 -5.673 14.431 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -5.875 11.407 -2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -6.918 12.363 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -4.756 13.226 -4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -3.927 11.944 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -4.421 10.780 -5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -5.903 10.454 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -5.481 12.666 -6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -6.388 11.187 -7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -7.916 12.920 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -7.874 11.909 -5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -7.060 13.399 -5.262 1.00 0.00 H new ATOM 525 N LYS A 481 -7.942 14.391 -1.662 1.00 0.00 N ATOM 526 CA LYS A 481 -9.141 14.590 -0.856 1.00 0.00 C ATOM 527 C LYS A 481 -9.884 13.274 -0.653 1.00 0.00 C ATOM 528 O LYS A 481 -10.472 12.730 -1.588 1.00 0.00 O ATOM 529 CB LYS A 481 -10.063 15.612 -1.523 1.00 0.00 C ATOM 530 CG LYS A 481 -11.172 16.115 -0.613 1.00 0.00 C ATOM 531 CD LYS A 481 -12.251 16.842 -1.398 1.00 0.00 C ATOM 532 CE LYS A 481 -11.746 18.168 -1.944 1.00 0.00 C ATOM 533 NZ LYS A 481 -11.537 19.171 -0.864 1.00 0.00 N ATOM 0 H LYS A 481 -7.958 14.862 -2.566 1.00 0.00 H new ATOM 0 HA LYS A 481 -8.835 14.968 0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -9.468 16.461 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -10.508 15.163 -2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -11.614 15.275 -0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -10.752 16.785 0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -12.589 16.213 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -13.114 17.017 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -10.809 18.008 -2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -12.461 18.558 -2.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -11.391 20.110 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -12.373 19.195 -0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -10.700 18.909 -0.304 1.00 0.00 H new ATOM 547 N THR A 482 -9.855 12.768 0.575 1.00 0.00 N ATOM 548 CA THR A 482 -10.526 11.516 0.902 1.00 0.00 C ATOM 549 C THR A 482 -10.976 11.499 2.360 1.00 0.00 C ATOM 550 O THR A 482 -11.159 10.435 2.951 1.00 0.00 O ATOM 551 CB THR A 482 -9.599 10.330 0.630 1.00 0.00 C ATOM 552 OG1 THR A 482 -8.267 10.641 0.997 1.00 0.00 O ATOM 553 CG2 THR A 482 -9.589 9.899 -0.820 1.00 0.00 C ATOM 0 H THR A 482 -9.374 13.206 1.360 1.00 0.00 H new ATOM 0 HA THR A 482 -11.409 11.433 0.269 1.00 0.00 H new ATOM 0 HB THR A 482 -9.993 9.511 1.232 1.00 0.00 H new ATOM 0 HG1 THR A 482 -7.690 9.870 0.817 1.00 0.00 H new ATOM 0 HG21 THR A 482 -8.912 9.054 -0.944 1.00 0.00 H new ATOM 0 HG22 THR A 482 -10.595 9.604 -1.119 1.00 0.00 H new ATOM 0 HG23 THR A 482 -9.253 10.728 -1.444 1.00 0.00 H new ATOM 561 N GLY A 483 -11.154 12.685 2.937 1.00 0.00 N ATOM 562 CA GLY A 483 -11.580 12.779 4.321 1.00 0.00 C ATOM 563 C GLY A 483 -10.431 12.604 5.296 1.00 0.00 C ATOM 564 O GLY A 483 -10.166 13.484 6.116 1.00 0.00 O ATOM 0 H GLY A 483 -11.011 13.581 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -12.050 13.748 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -12.337 12.020 4.517 1.00 0.00 H new ATOM 568 N LEU A 484 -9.751 11.466 5.209 1.00 0.00 N ATOM 569 CA LEU A 484 -8.626 11.179 6.090 1.00 0.00 C ATOM 570 C LEU A 484 -7.354 11.857 5.590 1.00 0.00 C ATOM 571 O LEU A 484 -7.115 11.939 4.385 1.00 0.00 O ATOM 572 CB LEU A 484 -8.404 9.669 6.192 1.00 0.00 C ATOM 573 CG LEU A 484 -9.649 8.855 6.550 1.00 0.00 C ATOM 574 CD1 LEU A 484 -9.358 7.366 6.457 1.00 0.00 C ATOM 575 CD2 LEU A 484 -10.141 9.219 7.943 1.00 0.00 C ATOM 0 H LEU A 484 -9.960 10.727 4.537 1.00 0.00 H new ATOM 0 HA LEU A 484 -8.862 11.574 7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -8.015 9.309 5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.636 9.480 6.942 1.00 0.00 H new ATOM 0 HG LEU A 484 -10.435 9.095 5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -10.255 6.803 6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -9.054 7.118 5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -8.556 7.108 7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -11.027 8.631 8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -9.359 9.008 8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -10.390 10.280 7.975 1.00 0.00 H new ATOM 587 N SER A 485 -6.540 12.341 6.524 1.00 0.00 N ATOM 588 CA SER A 485 -5.293 13.012 6.177 1.00 0.00 C ATOM 589 C SER A 485 -4.193 11.996 5.885 1.00 0.00 C ATOM 590 O SER A 485 -4.411 10.788 5.965 1.00 0.00 O ATOM 591 CB SER A 485 -4.857 13.943 7.309 1.00 0.00 C ATOM 592 OG SER A 485 -5.096 13.354 8.577 1.00 0.00 O ATOM 0 H SER A 485 -6.722 12.281 7.526 1.00 0.00 H new ATOM 0 HA SER A 485 -5.465 13.603 5.278 1.00 0.00 H new ATOM 0 HB2 SER A 485 -3.797 14.174 7.206 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.397 14.887 7.236 1.00 0.00 H new ATOM 0 HG SER A 485 -4.807 13.969 9.283 1.00 0.00 H new ATOM 598 N SER A 486 -3.009 12.497 5.542 1.00 0.00 N ATOM 599 CA SER A 486 -1.873 11.635 5.234 1.00 0.00 C ATOM 600 C SER A 486 -1.539 10.726 6.414 1.00 0.00 C ATOM 601 O SER A 486 -1.230 9.549 6.234 1.00 0.00 O ATOM 602 CB SER A 486 -0.653 12.480 4.867 1.00 0.00 C ATOM 603 OG SER A 486 -0.974 13.437 3.872 1.00 0.00 O ATOM 0 H SER A 486 -2.812 13.495 5.471 1.00 0.00 H new ATOM 0 HA SER A 486 -2.145 11.009 4.384 1.00 0.00 H new ATOM 0 HB2 SER A 486 -0.278 12.987 5.756 1.00 0.00 H new ATOM 0 HB3 SER A 486 0.147 11.832 4.508 1.00 0.00 H new ATOM 0 HG SER A 486 -0.774 13.068 2.986 1.00 0.00 H new ATOM 609 N GLU A 487 -1.603 11.281 7.620 1.00 0.00 N ATOM 610 CA GLU A 487 -1.306 10.519 8.827 1.00 0.00 C ATOM 611 C GLU A 487 -2.349 9.430 9.055 1.00 0.00 C ATOM 612 O GLU A 487 -2.010 8.283 9.346 1.00 0.00 O ATOM 613 CB GLU A 487 -1.246 11.449 10.041 1.00 0.00 C ATOM 614 CG GLU A 487 -2.578 12.104 10.373 1.00 0.00 C ATOM 615 CD GLU A 487 -2.466 13.112 11.499 1.00 0.00 C ATOM 616 OE1 GLU A 487 -2.237 12.690 12.653 1.00 0.00 O ATOM 617 OE2 GLU A 487 -2.608 14.323 11.230 1.00 0.00 O ATOM 0 H GLU A 487 -1.858 12.254 7.787 1.00 0.00 H new ATOM 0 HA GLU A 487 -0.335 10.042 8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -0.904 10.881 10.906 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.504 12.226 9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -2.967 12.600 9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.299 11.334 10.649 1.00 0.00 H new ATOM 624 N GLN A 488 -3.620 9.797 8.922 1.00 0.00 N ATOM 625 CA GLN A 488 -4.712 8.851 9.112 1.00 0.00 C ATOM 626 C GLN A 488 -4.697 7.777 8.030 1.00 0.00 C ATOM 627 O GLN A 488 -5.028 6.620 8.286 1.00 0.00 O ATOM 628 CB GLN A 488 -6.056 9.582 9.102 1.00 0.00 C ATOM 629 CG GLN A 488 -6.203 10.602 10.220 1.00 0.00 C ATOM 630 CD GLN A 488 -6.092 9.976 11.598 1.00 0.00 C ATOM 631 OE1 GLN A 488 -6.667 8.919 11.860 1.00 0.00 O ATOM 632 NE2 GLN A 488 -5.351 10.628 12.485 1.00 0.00 N ATOM 0 H GLN A 488 -3.918 10.743 8.683 1.00 0.00 H new ATOM 0 HA GLN A 488 -4.576 8.368 10.080 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -6.179 10.086 8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -6.859 8.849 9.182 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -5.436 11.369 10.110 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -7.168 11.100 10.128 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -4.893 11.501 12.223 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -5.240 10.256 13.428 1.00 0.00 H new ATOM 641 N THR A 489 -4.312 8.169 6.821 1.00 0.00 N ATOM 642 CA THR A 489 -4.254 7.241 5.697 1.00 0.00 C ATOM 643 C THR A 489 -3.302 6.086 5.992 1.00 0.00 C ATOM 644 O THR A 489 -3.628 4.924 5.754 1.00 0.00 O ATOM 645 CB THR A 489 -3.811 7.970 4.429 1.00 0.00 C ATOM 646 OG1 THR A 489 -4.651 9.080 4.167 1.00 0.00 O ATOM 647 CG2 THR A 489 -3.818 7.089 3.197 1.00 0.00 C ATOM 0 H THR A 489 -4.035 9.124 6.593 1.00 0.00 H new ATOM 0 HA THR A 489 -5.253 6.834 5.544 1.00 0.00 H new ATOM 0 HB THR A 489 -2.787 8.287 4.624 1.00 0.00 H new ATOM 0 HG1 THR A 489 -4.271 9.883 4.582 1.00 0.00 H new ATOM 0 HG21 THR A 489 -3.493 7.669 2.333 1.00 0.00 H new ATOM 0 HG22 THR A 489 -3.139 6.249 3.346 1.00 0.00 H new ATOM 0 HG23 THR A 489 -4.827 6.714 3.024 1.00 0.00 H new ATOM 655 N VAL A 490 -2.124 6.415 6.513 1.00 0.00 N ATOM 656 CA VAL A 490 -1.126 5.404 6.841 1.00 0.00 C ATOM 657 C VAL A 490 -1.624 4.480 7.947 1.00 0.00 C ATOM 658 O VAL A 490 -1.422 3.267 7.894 1.00 0.00 O ATOM 659 CB VAL A 490 0.203 6.046 7.282 1.00 0.00 C ATOM 660 CG1 VAL A 490 1.274 4.984 7.481 1.00 0.00 C ATOM 661 CG2 VAL A 490 0.655 7.088 6.269 1.00 0.00 C ATOM 0 H VAL A 490 -1.838 7.373 6.717 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.955 4.823 5.935 1.00 0.00 H new ATOM 0 HB VAL A 490 0.042 6.546 8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 490 2.204 5.459 7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 490 0.951 4.281 8.249 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.435 4.450 6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 490 1.595 7.531 6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 490 0.797 6.614 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -0.103 7.867 6.185 1.00 0.00 H new ATOM 671 N ASN A 491 -2.276 5.062 8.948 1.00 0.00 N ATOM 672 CA ASN A 491 -2.802 4.290 10.069 1.00 0.00 C ATOM 673 C ASN A 491 -3.800 3.242 9.590 1.00 0.00 C ATOM 674 O ASN A 491 -3.761 2.091 10.024 1.00 0.00 O ATOM 675 CB ASN A 491 -3.467 5.219 11.085 1.00 0.00 C ATOM 676 CG ASN A 491 -3.760 4.522 12.399 1.00 0.00 C ATOM 677 OD1 ASN A 491 -3.265 3.426 12.659 1.00 0.00 O ATOM 678 ND2 ASN A 491 -4.569 5.158 13.239 1.00 0.00 N ATOM 0 H ASN A 491 -2.453 6.065 9.006 1.00 0.00 H new ATOM 0 HA ASN A 491 -1.968 3.776 10.547 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -2.819 6.076 11.268 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -4.396 5.605 10.666 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -4.801 4.739 14.139 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -4.958 6.066 12.984 1.00 0.00 H new ATOM 685 N VAL A 492 -4.697 3.646 8.696 1.00 0.00 N ATOM 686 CA VAL A 492 -5.705 2.740 8.161 1.00 0.00 C ATOM 687 C VAL A 492 -5.080 1.709 7.227 1.00 0.00 C ATOM 688 O VAL A 492 -5.321 0.509 7.360 1.00 0.00 O ATOM 689 CB VAL A 492 -6.805 3.506 7.402 1.00 0.00 C ATOM 690 CG1 VAL A 492 -7.918 2.562 6.971 1.00 0.00 C ATOM 691 CG2 VAL A 492 -7.357 4.636 8.258 1.00 0.00 C ATOM 0 H VAL A 492 -4.746 4.596 8.327 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.152 2.228 9.013 1.00 0.00 H new ATOM 0 HB VAL A 492 -6.364 3.941 6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.685 3.123 6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -7.509 1.792 6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -8.359 2.093 7.851 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -8.133 5.166 7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -7.781 4.225 9.174 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -6.553 5.328 8.509 1.00 0.00 H new ATOM 701 N LEU A 493 -4.276 2.185 6.283 1.00 0.00 N ATOM 702 CA LEU A 493 -3.618 1.303 5.326 1.00 0.00 C ATOM 703 C LEU A 493 -2.639 0.368 6.029 1.00 0.00 C ATOM 704 O LEU A 493 -2.478 -0.787 5.636 1.00 0.00 O ATOM 705 CB LEU A 493 -2.884 2.124 4.263 1.00 0.00 C ATOM 706 CG LEU A 493 -3.752 2.592 3.093 1.00 0.00 C ATOM 707 CD1 LEU A 493 -4.678 3.715 3.531 1.00 0.00 C ATOM 708 CD2 LEU A 493 -2.880 3.039 1.931 1.00 0.00 C ATOM 0 H LEU A 493 -4.064 3.175 6.160 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.385 0.698 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.443 2.999 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.061 1.528 3.869 1.00 0.00 H new ATOM 0 HG LEU A 493 -4.365 1.754 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -5.287 4.035 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -5.326 3.360 4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -4.085 4.556 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.513 3.369 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.242 3.863 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -2.259 2.206 1.601 1.00 0.00 H new ATOM 720 N ALA A 494 -1.987 0.875 7.071 1.00 0.00 N ATOM 721 CA ALA A 494 -1.026 0.081 7.827 1.00 0.00 C ATOM 722 C ALA A 494 -1.718 -1.058 8.564 1.00 0.00 C ATOM 723 O ALA A 494 -1.209 -2.177 8.619 1.00 0.00 O ATOM 724 CB ALA A 494 -0.265 0.963 8.806 1.00 0.00 C ATOM 0 H ALA A 494 -2.107 1.830 7.410 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.317 -0.354 7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 494 0.449 0.356 9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 494 0.269 1.739 8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -0.967 1.426 9.500 1.00 0.00 H new ATOM 730 N GLN A 495 -2.882 -0.764 9.130 1.00 0.00 N ATOM 731 CA GLN A 495 -3.651 -1.761 9.866 1.00 0.00 C ATOM 732 C GLN A 495 -4.334 -2.735 8.911 1.00 0.00 C ATOM 733 O GLN A 495 -4.333 -3.945 9.138 1.00 0.00 O ATOM 734 CB GLN A 495 -4.695 -1.080 10.752 1.00 0.00 C ATOM 735 CG GLN A 495 -4.094 -0.279 11.895 1.00 0.00 C ATOM 736 CD GLN A 495 -5.142 0.469 12.696 1.00 0.00 C ATOM 737 OE1 GLN A 495 -6.264 0.674 12.233 1.00 0.00 O ATOM 738 NE2 GLN A 495 -4.779 0.882 13.905 1.00 0.00 N ATOM 0 H GLN A 495 -3.315 0.159 9.094 1.00 0.00 H new ATOM 0 HA GLN A 495 -2.961 -2.322 10.497 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -5.305 -0.418 10.137 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -5.362 -1.839 11.162 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -3.547 -0.951 12.557 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.371 0.432 11.495 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -3.838 0.690 14.248 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -5.441 1.391 14.490 1.00 0.00 H new ATOM 747 N ILE A 496 -4.917 -2.198 7.844 1.00 0.00 N ATOM 748 CA ILE A 496 -5.605 -3.020 6.856 1.00 0.00 C ATOM 749 C ILE A 496 -4.625 -3.948 6.144 1.00 0.00 C ATOM 750 O ILE A 496 -4.898 -5.132 5.951 1.00 0.00 O ATOM 751 CB ILE A 496 -6.352 -2.141 5.824 1.00 0.00 C ATOM 752 CG1 ILE A 496 -7.598 -2.863 5.313 1.00 0.00 C ATOM 753 CG2 ILE A 496 -5.448 -1.747 4.659 1.00 0.00 C ATOM 754 CD1 ILE A 496 -8.604 -1.942 4.655 1.00 0.00 C ATOM 0 H ILE A 496 -4.927 -1.198 7.642 1.00 0.00 H new ATOM 0 HA ILE A 496 -6.339 -3.628 7.385 1.00 0.00 H new ATOM 0 HB ILE A 496 -6.656 -1.224 6.329 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -7.297 -3.629 4.598 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -8.078 -3.376 6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -6.008 -1.131 3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -4.594 -1.183 5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -5.095 -2.645 4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -9.462 -2.523 4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -8.934 -1.191 5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -8.141 -1.448 3.801 1.00 0.00 H new ATOM 766 N LEU A 497 -3.483 -3.393 5.761 1.00 0.00 N ATOM 767 CA LEU A 497 -2.449 -4.157 5.072 1.00 0.00 C ATOM 768 C LEU A 497 -1.763 -5.132 6.023 1.00 0.00 C ATOM 769 O LEU A 497 -1.250 -6.166 5.599 1.00 0.00 O ATOM 770 CB LEU A 497 -1.411 -3.215 4.457 1.00 0.00 C ATOM 771 CG LEU A 497 -1.888 -2.438 3.229 1.00 0.00 C ATOM 772 CD1 LEU A 497 -0.911 -1.323 2.890 1.00 0.00 C ATOM 773 CD2 LEU A 497 -2.065 -3.373 2.043 1.00 0.00 C ATOM 0 H LEU A 497 -3.248 -2.413 5.916 1.00 0.00 H new ATOM 0 HA LEU A 497 -2.929 -4.729 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 497 -1.094 -2.502 5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 497 -0.533 -3.798 4.180 1.00 0.00 H new ATOM 0 HG LEU A 497 -2.854 -1.989 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 497 -1.267 -0.781 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 497 -0.834 -0.637 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 497 0.069 -1.750 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 497 -2.405 -2.803 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 497 -1.113 -3.851 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 497 -2.804 -4.136 2.288 1.00 0.00 H new ATOM 785 N LYS A 498 -1.757 -4.796 7.312 1.00 0.00 N ATOM 786 CA LYS A 498 -1.126 -5.640 8.325 1.00 0.00 C ATOM 787 C LYS A 498 -1.537 -7.101 8.166 1.00 0.00 C ATOM 788 O LYS A 498 -0.691 -7.989 8.077 1.00 0.00 O ATOM 789 CB LYS A 498 -1.497 -5.149 9.726 1.00 0.00 C ATOM 790 CG LYS A 498 -0.704 -5.821 10.835 1.00 0.00 C ATOM 791 CD LYS A 498 -1.389 -7.088 11.320 1.00 0.00 C ATOM 792 CE LYS A 498 -0.388 -8.210 11.549 1.00 0.00 C ATOM 793 NZ LYS A 498 0.024 -8.305 12.977 1.00 0.00 N ATOM 0 H LYS A 498 -2.182 -3.945 7.680 1.00 0.00 H new ATOM 0 HA LYS A 498 -0.047 -5.572 8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 498 -1.338 -4.072 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 498 -2.560 -5.323 9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 498 0.296 -6.062 10.474 1.00 0.00 H new ATOM 0 HG3 LYS A 498 -0.584 -5.129 11.669 1.00 0.00 H new ATOM 0 HD2 LYS A 498 -1.924 -6.882 12.247 1.00 0.00 H new ATOM 0 HD3 LYS A 498 -2.131 -7.405 10.587 1.00 0.00 H new ATOM 0 HE2 LYS A 498 -0.826 -9.157 11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 498 0.492 -8.044 10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 0.706 -9.082 13.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 0.465 -7.410 13.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 -0.812 -8.489 13.568 1.00 0.00 H new ATOM 807 N ARG A 499 -2.840 -7.343 8.136 1.00 0.00 N ATOM 808 CA ARG A 499 -3.365 -8.695 7.990 1.00 0.00 C ATOM 809 C ARG A 499 -3.326 -9.167 6.536 1.00 0.00 C ATOM 810 O ARG A 499 -3.485 -10.355 6.259 1.00 0.00 O ATOM 811 CB ARG A 499 -4.797 -8.768 8.523 1.00 0.00 C ATOM 812 CG ARG A 499 -4.904 -8.504 10.016 1.00 0.00 C ATOM 813 CD ARG A 499 -6.332 -8.673 10.510 1.00 0.00 C ATOM 814 NE ARG A 499 -6.482 -8.257 11.903 1.00 0.00 N ATOM 815 CZ ARG A 499 -6.424 -6.991 12.310 1.00 0.00 C ATOM 816 NH1 ARG A 499 -6.220 -6.015 11.434 1.00 0.00 N ATOM 817 NH2 ARG A 499 -6.570 -6.701 13.595 1.00 0.00 N ATOM 0 H ARG A 499 -3.555 -6.620 8.211 1.00 0.00 H new ATOM 0 HA ARG A 499 -2.726 -9.358 8.573 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -5.412 -8.043 7.989 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -5.207 -9.755 8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -4.248 -9.187 10.555 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -4.560 -7.493 10.234 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -7.004 -8.088 9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -6.629 -9.717 10.409 1.00 0.00 H new ATOM 0 HE ARG A 499 -6.641 -8.980 12.605 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -6.107 -6.234 10.444 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -6.176 -5.046 11.751 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -6.727 -7.448 14.272 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -6.526 -5.731 13.907 1.00 0.00 H new ATOM 831 N LEU A 500 -3.140 -8.230 5.608 1.00 0.00 N ATOM 832 CA LEU A 500 -3.111 -8.553 4.182 1.00 0.00 C ATOM 833 C LEU A 500 -2.256 -9.779 3.880 1.00 0.00 C ATOM 834 O LEU A 500 -2.727 -10.735 3.261 1.00 0.00 O ATOM 835 CB LEU A 500 -2.608 -7.355 3.375 1.00 0.00 C ATOM 836 CG LEU A 500 -2.628 -7.544 1.857 1.00 0.00 C ATOM 837 CD1 LEU A 500 -4.059 -7.654 1.352 1.00 0.00 C ATOM 838 CD2 LEU A 500 -1.906 -6.395 1.168 1.00 0.00 C ATOM 0 H LEU A 500 -3.007 -7.241 5.818 1.00 0.00 H new ATOM 0 HA LEU A 500 -4.134 -8.788 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -3.216 -6.486 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -1.587 -7.130 3.685 1.00 0.00 H new ATOM 0 HG LEU A 500 -2.107 -8.471 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -4.054 -7.788 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -4.546 -8.509 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -4.604 -6.744 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -1.930 -6.545 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -2.400 -5.455 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -0.871 -6.360 1.507 1.00 0.00 H new ATOM 850 N ASN A 501 -1.005 -9.748 4.307 1.00 0.00 N ATOM 851 CA ASN A 501 -0.094 -10.863 4.065 1.00 0.00 C ATOM 852 C ASN A 501 0.094 -11.097 2.567 1.00 0.00 C ATOM 853 O ASN A 501 -0.027 -12.225 2.085 1.00 0.00 O ATOM 854 CB ASN A 501 -0.622 -12.136 4.733 1.00 0.00 C ATOM 855 CG ASN A 501 0.343 -13.297 4.608 1.00 0.00 C ATOM 856 OD1 ASN A 501 1.553 -13.134 4.762 1.00 0.00 O ATOM 857 ND2 ASN A 501 -0.189 -14.482 4.327 1.00 0.00 N ATOM 0 H ASN A 501 -0.595 -8.968 4.821 1.00 0.00 H new ATOM 0 HA ASN A 501 0.874 -10.610 4.498 1.00 0.00 H new ATOM 0 HB2 ASN A 501 -0.812 -11.937 5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 501 -1.576 -12.410 4.283 1.00 0.00 H new ATOM 0 HD21 ASN A 501 0.412 -15.301 4.231 1.00 0.00 H new ATOM 0 HD22 ASN A 501 -1.198 -14.573 4.207 1.00 0.00 H new ATOM 864 N PRO A 502 0.396 -10.030 1.806 1.00 0.00 N ATOM 865 CA PRO A 502 0.602 -10.125 0.358 1.00 0.00 C ATOM 866 C PRO A 502 1.950 -10.742 0.003 1.00 0.00 C ATOM 867 O PRO A 502 2.831 -10.863 0.853 1.00 0.00 O ATOM 868 CB PRO A 502 0.548 -8.667 -0.095 1.00 0.00 C ATOM 869 CG PRO A 502 1.037 -7.895 1.081 1.00 0.00 C ATOM 870 CD PRO A 502 0.562 -8.645 2.296 1.00 0.00 C ATOM 0 HA PRO A 502 -0.138 -10.767 -0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 502 1.176 -8.499 -0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 502 -0.465 -8.374 -0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 502 2.124 -7.816 1.071 1.00 0.00 H new ATOM 0 HG3 PRO A 502 0.644 -6.878 1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 502 1.286 -8.591 3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 502 -0.375 -8.239 2.677 1.00 0.00 H new ATOM 878 N GLU A 503 2.105 -11.125 -1.260 1.00 0.00 N ATOM 879 CA GLU A 503 3.349 -11.725 -1.729 1.00 0.00 C ATOM 880 C GLU A 503 4.299 -10.654 -2.256 1.00 0.00 C ATOM 881 O GLU A 503 3.871 -9.693 -2.896 1.00 0.00 O ATOM 882 CB GLU A 503 3.064 -12.755 -2.824 1.00 0.00 C ATOM 883 CG GLU A 503 2.158 -13.889 -2.371 1.00 0.00 C ATOM 884 CD GLU A 503 1.948 -14.935 -3.449 1.00 0.00 C ATOM 885 OE1 GLU A 503 2.323 -14.674 -4.612 1.00 0.00 O ATOM 886 OE2 GLU A 503 1.408 -16.015 -3.130 1.00 0.00 O ATOM 0 H GLU A 503 1.385 -11.031 -1.977 1.00 0.00 H new ATOM 0 HA GLU A 503 3.824 -12.227 -0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 503 2.604 -12.251 -3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 503 4.008 -13.173 -3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 503 2.589 -14.363 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 503 1.192 -13.481 -2.073 1.00 0.00 H new ATOM 893 N ARG A 504 5.588 -10.823 -1.981 1.00 0.00 N ATOM 894 CA ARG A 504 6.594 -9.867 -2.427 1.00 0.00 C ATOM 895 C ARG A 504 7.441 -10.450 -3.554 1.00 0.00 C ATOM 896 O ARG A 504 7.941 -11.570 -3.453 1.00 0.00 O ATOM 897 CB ARG A 504 7.493 -9.456 -1.259 1.00 0.00 C ATOM 898 CG ARG A 504 6.745 -8.766 -0.130 1.00 0.00 C ATOM 899 CD ARG A 504 7.701 -8.101 0.849 1.00 0.00 C ATOM 900 NE ARG A 504 8.687 -9.042 1.375 1.00 0.00 N ATOM 901 CZ ARG A 504 9.381 -8.839 2.493 1.00 0.00 C ATOM 902 NH1 ARG A 504 9.202 -7.733 3.204 1.00 0.00 N ATOM 903 NH2 ARG A 504 10.258 -9.746 2.901 1.00 0.00 N ATOM 0 H ARG A 504 5.960 -11.612 -1.452 1.00 0.00 H new ATOM 0 HA ARG A 504 6.076 -8.986 -2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 504 7.991 -10.342 -0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 504 8.272 -8.789 -1.628 1.00 0.00 H new ATOM 0 HG2 ARG A 504 6.069 -8.018 -0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 504 6.130 -9.494 0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 504 8.214 -7.278 0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 504 7.134 -7.671 1.674 1.00 0.00 H new ATOM 0 HE ARG A 504 8.853 -9.904 0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 504 8.529 -7.031 2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 504 9.737 -7.584 4.059 1.00 0.00 H new ATOM 0 HH21 ARG A 504 10.400 -10.598 2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 504 10.790 -9.592 3.757 1.00 0.00 H new ATOM 917 N LYS A 505 7.596 -9.681 -4.626 1.00 0.00 N ATOM 918 CA LYS A 505 8.383 -10.118 -5.774 1.00 0.00 C ATOM 919 C LYS A 505 9.362 -9.030 -6.205 1.00 0.00 C ATOM 920 O LYS A 505 9.056 -7.840 -6.129 1.00 0.00 O ATOM 921 CB LYS A 505 7.463 -10.483 -6.940 1.00 0.00 C ATOM 922 CG LYS A 505 6.487 -11.603 -6.617 1.00 0.00 C ATOM 923 CD LYS A 505 5.764 -12.087 -7.863 1.00 0.00 C ATOM 924 CE LYS A 505 4.896 -10.993 -8.463 1.00 0.00 C ATOM 925 NZ LYS A 505 4.332 -11.393 -9.782 1.00 0.00 N ATOM 0 H LYS A 505 7.187 -8.752 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 505 8.952 -11.000 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.902 -9.598 -7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 505 8.072 -10.778 -7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 505 7.024 -12.434 -6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 505 5.759 -11.253 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 505 6.493 -12.421 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 505 5.145 -12.949 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.083 -10.757 -7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.487 -10.085 -8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.746 -10.620 -10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 5.108 -11.593 -10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 3.747 -12.245 -9.666 1.00 0.00 H new ATOM 939 N MET A 506 10.540 -9.447 -6.656 1.00 0.00 N ATOM 940 CA MET A 506 11.563 -8.506 -7.099 1.00 0.00 C ATOM 941 C MET A 506 11.352 -8.118 -8.559 1.00 0.00 C ATOM 942 O MET A 506 11.633 -8.900 -9.466 1.00 0.00 O ATOM 943 CB MET A 506 12.956 -9.112 -6.918 1.00 0.00 C ATOM 944 CG MET A 506 13.325 -9.366 -5.465 1.00 0.00 C ATOM 945 SD MET A 506 15.038 -9.892 -5.265 1.00 0.00 S ATOM 946 CE MET A 506 15.903 -8.358 -5.594 1.00 0.00 C ATOM 0 H MET A 506 10.810 -10.428 -6.725 1.00 0.00 H new ATOM 0 HA MET A 506 11.482 -7.607 -6.488 1.00 0.00 H new ATOM 0 HB2 MET A 506 13.008 -10.052 -7.467 1.00 0.00 H new ATOM 0 HB3 MET A 506 13.694 -8.443 -7.360 1.00 0.00 H new ATOM 0 HG2 MET A 506 13.159 -8.457 -4.888 1.00 0.00 H new ATOM 0 HG3 MET A 506 12.664 -10.130 -5.055 1.00 0.00 H new ATOM 0 HE1 MET A 506 16.931 -8.436 -5.239 1.00 0.00 H new ATOM 0 HE2 MET A 506 15.903 -8.163 -6.666 1.00 0.00 H new ATOM 0 HE3 MET A 506 15.402 -7.540 -5.077 1.00 0.00 H new ATOM 956 N ILE A 507 10.855 -6.904 -8.778 1.00 0.00 N ATOM 957 CA ILE A 507 10.606 -6.413 -10.128 1.00 0.00 C ATOM 958 C ILE A 507 11.454 -5.181 -10.424 1.00 0.00 C ATOM 959 O ILE A 507 11.392 -4.183 -9.705 1.00 0.00 O ATOM 960 CB ILE A 507 9.119 -6.062 -10.333 1.00 0.00 C ATOM 961 CG1 ILE A 507 8.233 -7.235 -9.909 1.00 0.00 C ATOM 962 CG2 ILE A 507 8.857 -5.691 -11.785 1.00 0.00 C ATOM 963 CD1 ILE A 507 6.753 -6.933 -9.990 1.00 0.00 C ATOM 0 H ILE A 507 10.617 -6.243 -8.038 1.00 0.00 H new ATOM 0 HA ILE A 507 10.878 -7.214 -10.815 1.00 0.00 H new ATOM 0 HB ILE A 507 8.875 -5.202 -9.709 1.00 0.00 H new ATOM 0 HG12 ILE A 507 8.455 -8.095 -10.541 1.00 0.00 H new ATOM 0 HG13 ILE A 507 8.483 -7.518 -8.886 1.00 0.00 H new ATOM 0 HG21 ILE A 507 7.803 -5.446 -11.913 1.00 0.00 H new ATOM 0 HG22 ILE A 507 9.466 -4.828 -12.056 1.00 0.00 H new ATOM 0 HG23 ILE A 507 9.115 -6.533 -12.428 1.00 0.00 H new ATOM 0 HD11 ILE A 507 6.185 -7.809 -9.675 1.00 0.00 H new ATOM 0 HD12 ILE A 507 6.517 -6.093 -9.337 1.00 0.00 H new ATOM 0 HD13 ILE A 507 6.489 -6.679 -11.017 1.00 0.00 H new ATOM 975 N ASN A 508 12.247 -5.256 -11.489 1.00 0.00 N ATOM 976 CA ASN A 508 13.109 -4.146 -11.881 1.00 0.00 C ATOM 977 C ASN A 508 14.059 -3.769 -10.748 1.00 0.00 C ATOM 978 O ASN A 508 14.287 -2.588 -10.481 1.00 0.00 O ATOM 979 CB ASN A 508 12.266 -2.935 -12.282 1.00 0.00 C ATOM 980 CG ASN A 508 13.056 -1.917 -13.078 1.00 0.00 C ATOM 981 OD1 ASN A 508 13.542 -2.208 -14.172 1.00 0.00 O ATOM 982 ND2 ASN A 508 13.191 -0.713 -12.533 1.00 0.00 N ATOM 0 H ASN A 508 12.310 -6.074 -12.096 1.00 0.00 H new ATOM 0 HA ASN A 508 13.703 -4.464 -12.738 1.00 0.00 H new ATOM 0 HB2 ASN A 508 11.412 -3.270 -12.872 1.00 0.00 H new ATOM 0 HB3 ASN A 508 11.868 -2.461 -11.385 1.00 0.00 H new ATOM 0 HD21 ASN A 508 13.714 0.013 -13.023 1.00 0.00 H new ATOM 0 HD22 ASN A 508 12.772 -0.515 -11.624 1.00 0.00 H new ATOM 989 N ASP A 509 14.611 -4.779 -10.084 1.00 0.00 N ATOM 990 CA ASP A 509 15.535 -4.556 -8.979 1.00 0.00 C ATOM 991 C ASP A 509 14.870 -3.749 -7.869 1.00 0.00 C ATOM 992 O ASP A 509 15.520 -2.953 -7.190 1.00 0.00 O ATOM 993 CB ASP A 509 16.788 -3.830 -9.472 1.00 0.00 C ATOM 994 CG ASP A 509 17.595 -4.665 -10.448 1.00 0.00 C ATOM 995 OD1 ASP A 509 17.373 -5.893 -10.503 1.00 0.00 O ATOM 996 OD2 ASP A 509 18.448 -4.091 -11.157 1.00 0.00 O ATOM 0 H ASP A 509 14.434 -5.762 -10.293 1.00 0.00 H new ATOM 0 HA ASP A 509 15.822 -5.528 -8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 509 16.498 -2.895 -9.952 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.413 -3.569 -8.618 1.00 0.00 H new ATOM 1001 N LYS A 510 13.569 -3.960 -7.690 1.00 0.00 N ATOM 1002 CA LYS A 510 12.813 -3.253 -6.662 1.00 0.00 C ATOM 1003 C LYS A 510 11.768 -4.167 -6.031 1.00 0.00 C ATOM 1004 O LYS A 510 11.293 -5.112 -6.662 1.00 0.00 O ATOM 1005 CB LYS A 510 12.135 -2.017 -7.257 1.00 0.00 C ATOM 1006 CG LYS A 510 13.108 -1.025 -7.873 1.00 0.00 C ATOM 1007 CD LYS A 510 13.968 -0.357 -6.812 1.00 0.00 C ATOM 1008 CE LYS A 510 14.863 0.714 -7.414 1.00 0.00 C ATOM 1009 NZ LYS A 510 15.549 0.235 -8.647 1.00 0.00 N ATOM 0 H LYS A 510 13.017 -4.615 -8.244 1.00 0.00 H new ATOM 0 HA LYS A 510 13.510 -2.937 -5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 510 11.423 -2.335 -8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.564 -1.515 -6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 510 13.747 -1.539 -8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 510 12.554 -0.266 -8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 510 13.328 0.088 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 510 14.582 -1.108 -6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 510 14.267 1.596 -7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 510 15.608 1.020 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 16.329 0.881 -8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 15.927 -0.720 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 14.870 0.209 -9.434 1.00 0.00 H new ATOM 1023 N MET A 511 11.412 -3.879 -4.783 1.00 0.00 N ATOM 1024 CA MET A 511 10.422 -4.675 -4.067 1.00 0.00 C ATOM 1025 C MET A 511 9.009 -4.204 -4.394 1.00 0.00 C ATOM 1026 O MET A 511 8.690 -3.023 -4.254 1.00 0.00 O ATOM 1027 CB MET A 511 10.665 -4.593 -2.560 1.00 0.00 C ATOM 1028 CG MET A 511 9.758 -5.503 -1.747 1.00 0.00 C ATOM 1029 SD MET A 511 9.951 -5.269 0.030 1.00 0.00 S ATOM 1030 CE MET A 511 9.143 -3.687 0.254 1.00 0.00 C ATOM 0 H MET A 511 11.795 -3.100 -4.247 1.00 0.00 H new ATOM 0 HA MET A 511 10.523 -5.712 -4.387 1.00 0.00 H new ATOM 0 HB2 MET A 511 11.704 -4.851 -2.353 1.00 0.00 H new ATOM 0 HB3 MET A 511 10.521 -3.563 -2.233 1.00 0.00 H new ATOM 0 HG2 MET A 511 8.720 -5.316 -2.023 1.00 0.00 H new ATOM 0 HG3 MET A 511 9.973 -6.542 -1.998 1.00 0.00 H new ATOM 0 HE1 MET A 511 8.942 -3.528 1.313 1.00 0.00 H new ATOM 0 HE2 MET A 511 9.791 -2.892 -0.116 1.00 0.00 H new ATOM 0 HE3 MET A 511 8.204 -3.677 -0.299 1.00 0.00 H new ATOM 1040 N HIS A 512 8.166 -5.134 -4.830 1.00 0.00 N ATOM 1041 CA HIS A 512 6.786 -4.812 -5.178 1.00 0.00 C ATOM 1042 C HIS A 512 5.812 -5.752 -4.473 1.00 0.00 C ATOM 1043 O HIS A 512 6.148 -6.895 -4.166 1.00 0.00 O ATOM 1044 CB HIS A 512 6.587 -4.896 -6.692 1.00 0.00 C ATOM 1045 CG HIS A 512 7.198 -3.752 -7.440 1.00 0.00 C ATOM 1046 ND1 HIS A 512 6.683 -2.553 -7.802 1.00 0.00 N flip ATOM 1047 CD2 HIS A 512 8.497 -3.765 -7.907 1.00 0.00 C flip ATOM 1048 CE1 HIS A 512 7.668 -1.872 -8.473 1.00 0.00 C flip ATOM 1049 NE2 HIS A 512 8.752 -2.624 -8.523 1.00 0.00 N flip ATOM 0 H HIS A 512 8.413 -6.116 -4.951 1.00 0.00 H new ATOM 0 HA HIS A 512 6.583 -3.793 -4.847 1.00 0.00 H new ATOM 0 HB2 HIS A 512 7.018 -5.829 -7.056 1.00 0.00 H new ATOM 0 HB3 HIS A 512 5.519 -4.932 -6.909 1.00 0.00 H new ATOM 0 HD1 HIS A 512 5.739 -2.218 -7.611 1.00 0.00 H new ATOM 0 HD2 HIS A 512 9.195 -4.580 -7.788 1.00 0.00 H new ATOM 0 HE1 HIS A 512 7.572 -0.881 -8.892 1.00 0.00 H new ATOM 1058 N PHE A 513 4.603 -5.260 -4.220 1.00 0.00 N ATOM 1059 CA PHE A 513 3.578 -6.053 -3.551 1.00 0.00 C ATOM 1060 C PHE A 513 2.509 -6.507 -4.541 1.00 0.00 C ATOM 1061 O PHE A 513 1.939 -5.694 -5.269 1.00 0.00 O ATOM 1062 CB PHE A 513 2.934 -5.248 -2.421 1.00 0.00 C ATOM 1063 CG PHE A 513 3.700 -5.308 -1.129 1.00 0.00 C ATOM 1064 CD1 PHE A 513 3.594 -6.411 -0.299 1.00 0.00 C ATOM 1065 CD2 PHE A 513 4.523 -4.261 -0.746 1.00 0.00 C ATOM 1066 CE1 PHE A 513 4.295 -6.471 0.892 1.00 0.00 C ATOM 1067 CE2 PHE A 513 5.226 -4.314 0.443 1.00 0.00 C ATOM 1068 CZ PHE A 513 5.111 -5.421 1.263 1.00 0.00 C ATOM 0 H PHE A 513 4.309 -4.315 -4.468 1.00 0.00 H new ATOM 0 HA PHE A 513 4.057 -6.937 -3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 513 2.844 -4.207 -2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 513 1.923 -5.619 -2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 513 2.956 -7.234 -0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 513 4.616 -3.394 -1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 513 4.204 -7.337 1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.864 -3.492 0.731 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.659 -5.464 2.193 1.00 0.00 H new ATOM 1078 N SER A 514 2.242 -7.809 -4.562 1.00 0.00 N ATOM 1079 CA SER A 514 1.242 -8.369 -5.462 1.00 0.00 C ATOM 1080 C SER A 514 0.678 -9.673 -4.908 1.00 0.00 C ATOM 1081 O SER A 514 1.402 -10.471 -4.314 1.00 0.00 O ATOM 1082 CB SER A 514 1.849 -8.612 -6.845 1.00 0.00 C ATOM 1083 OG SER A 514 0.840 -8.807 -7.819 1.00 0.00 O ATOM 0 H SER A 514 2.705 -8.495 -3.966 1.00 0.00 H new ATOM 0 HA SER A 514 0.428 -7.650 -5.550 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.471 -7.762 -7.127 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.500 -9.486 -6.811 1.00 0.00 H new ATOM 0 HG SER A 514 0.108 -8.175 -7.663 1.00 0.00 H new ATOM 1089 N LEU A 515 -0.620 -9.883 -5.108 1.00 0.00 N ATOM 1090 CA LEU A 515 -1.281 -11.094 -4.629 1.00 0.00 C ATOM 1091 C LEU A 515 -2.112 -11.727 -5.739 1.00 0.00 C ATOM 1092 O LEU A 515 -2.522 -11.053 -6.685 1.00 0.00 O ATOM 1093 CB LEU A 515 -2.171 -10.789 -3.414 1.00 0.00 C ATOM 1094 CG LEU A 515 -2.229 -9.319 -2.988 1.00 0.00 C ATOM 1095 CD1 LEU A 515 -3.209 -8.550 -3.859 1.00 0.00 C ATOM 1096 CD2 LEU A 515 -2.614 -9.206 -1.521 1.00 0.00 C ATOM 0 H LEU A 515 -1.234 -9.232 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 515 -0.508 -11.799 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.184 -11.125 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -1.817 -11.380 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 515 -1.239 -8.882 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -3.237 -7.508 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -2.891 -8.604 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.203 -8.986 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -2.651 -8.155 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.593 -9.659 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -1.874 -9.723 -0.910 1.00 0.00 H new ATOM 1108 N LYS A 516 -2.359 -13.027 -5.617 1.00 0.00 N ATOM 1109 CA LYS A 516 -3.143 -13.753 -6.611 1.00 0.00 C ATOM 1110 C LYS A 516 -4.560 -14.005 -6.108 1.00 0.00 C ATOM 1111 O LYS A 516 -4.758 -14.639 -5.072 1.00 0.00 O ATOM 1112 CB LYS A 516 -2.467 -15.082 -6.953 1.00 0.00 C ATOM 1113 CG LYS A 516 -3.118 -15.813 -8.116 1.00 0.00 C ATOM 1114 CD LYS A 516 -2.448 -17.153 -8.376 1.00 0.00 C ATOM 1115 CE LYS A 516 -2.993 -17.814 -9.632 1.00 0.00 C ATOM 1116 NZ LYS A 516 -2.554 -17.106 -10.866 1.00 0.00 N ATOM 0 H LYS A 516 -2.028 -13.600 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 516 -3.200 -13.140 -7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 516 -1.420 -14.897 -7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 516 -2.485 -15.726 -6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 516 -4.176 -15.969 -7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 516 -3.061 -15.196 -9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 516 -1.372 -17.010 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 516 -2.603 -17.811 -7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 516 -2.660 -18.851 -9.670 1.00 0.00 H new ATOM 0 HE3 LYS A 516 -4.082 -17.830 -9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 -2.770 -17.692 -11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 -3.055 -16.198 -10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 -1.529 -16.933 -10.821 1.00 0.00 H new ATOM 1130 N GLU A 517 -5.543 -13.505 -6.850 1.00 0.00 N ATOM 1131 CA GLU A 517 -6.943 -13.678 -6.481 1.00 0.00 C ATOM 1132 C GLU A 517 -7.847 -13.568 -7.705 1.00 0.00 C ATOM 1133 O GLU A 517 -8.753 -14.414 -7.849 1.00 0.00 O ATOM 1134 CB GLU A 517 -7.350 -12.636 -5.438 1.00 0.00 C ATOM 1135 CG GLU A 517 -6.661 -12.816 -4.096 1.00 0.00 C ATOM 1136 CD GLU A 517 -6.940 -14.171 -3.474 1.00 0.00 C ATOM 1137 OE1 GLU A 517 -7.919 -14.826 -3.892 1.00 0.00 O ATOM 1138 OE2 GLU A 517 -6.181 -14.577 -2.569 1.00 0.00 O ATOM 1139 OXT GLU A 517 -7.639 -12.635 -8.511 1.00 0.00 O ATOM 0 H GLU A 517 -5.396 -12.977 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 517 -7.059 -14.674 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -7.123 -11.642 -5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -8.429 -12.683 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -5.586 -12.694 -4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -6.991 -12.032 -3.414 1.00 0.00 H new ATOM 1187 N GLU B 945 8.028 13.296 2.449 1.00 0.00 N ATOM 1188 CA GLU B 945 6.897 12.911 3.286 1.00 0.00 C ATOM 1189 C GLU B 945 6.351 11.549 2.871 1.00 0.00 C ATOM 1190 O GLU B 945 5.933 10.754 3.711 1.00 0.00 O ATOM 1191 CB GLU B 945 5.790 13.964 3.201 1.00 0.00 C ATOM 1192 CG GLU B 945 6.196 15.319 3.756 1.00 0.00 C ATOM 1193 CD GLU B 945 5.065 16.329 3.715 1.00 0.00 C ATOM 1194 OE1 GLU B 945 4.046 16.054 3.046 1.00 0.00 O ATOM 1195 OE2 GLU B 945 5.198 17.395 4.353 1.00 0.00 O ATOM 0 HA GLU B 945 7.247 12.844 4.316 1.00 0.00 H new ATOM 0 HB2 GLU B 945 5.491 14.082 2.159 1.00 0.00 H new ATOM 0 HB3 GLU B 945 4.916 13.605 3.744 1.00 0.00 H new ATOM 0 HG2 GLU B 945 6.534 15.199 4.785 1.00 0.00 H new ATOM 0 HG3 GLU B 945 7.042 15.703 3.185 1.00 0.00 H new ATOM 1202 N ALA B 946 6.359 11.285 1.568 1.00 0.00 N ATOM 1203 CA ALA B 946 5.864 10.020 1.041 1.00 0.00 C ATOM 1204 C ALA B 946 6.705 8.850 1.538 1.00 0.00 C ATOM 1205 O ALA B 946 6.178 7.781 1.849 1.00 0.00 O ATOM 1206 CB ALA B 946 5.849 10.051 -0.481 1.00 0.00 C ATOM 0 H ALA B 946 6.703 11.931 0.858 1.00 0.00 H new ATOM 0 HA ALA B 946 4.845 9.880 1.402 1.00 0.00 H new ATOM 0 HB1 ALA B 946 5.477 9.099 -0.861 1.00 0.00 H new ATOM 0 HB2 ALA B 946 5.199 10.857 -0.822 1.00 0.00 H new ATOM 0 HB3 ALA B 946 6.860 10.219 -0.851 1.00 0.00 H new ATOM 1212 N ASP B 947 8.016 9.058 1.611 1.00 0.00 N ATOM 1213 CA ASP B 947 8.930 8.019 2.072 1.00 0.00 C ATOM 1214 C ASP B 947 8.594 7.588 3.495 1.00 0.00 C ATOM 1215 O ASP B 947 8.588 6.398 3.809 1.00 0.00 O ATOM 1216 CB ASP B 947 10.375 8.516 2.005 1.00 0.00 C ATOM 1217 CG ASP B 947 11.381 7.405 2.235 1.00 0.00 C ATOM 1218 OD1 ASP B 947 10.988 6.222 2.158 1.00 0.00 O ATOM 1219 OD2 ASP B 947 12.563 7.719 2.492 1.00 0.00 O ATOM 0 H ASP B 947 8.469 9.936 1.357 1.00 0.00 H new ATOM 0 HA ASP B 947 8.818 7.156 1.416 1.00 0.00 H new ATOM 0 HB2 ASP B 947 10.555 8.969 1.030 1.00 0.00 H new ATOM 0 HB3 ASP B 947 10.523 9.296 2.752 1.00 0.00 H new ATOM 1224 N GLU B 948 8.314 8.564 4.354 1.00 0.00 N ATOM 1225 CA GLU B 948 7.977 8.285 5.744 1.00 0.00 C ATOM 1226 C GLU B 948 6.645 7.548 5.846 1.00 0.00 C ATOM 1227 O GLU B 948 6.490 6.635 6.657 1.00 0.00 O ATOM 1228 CB GLU B 948 7.914 9.587 6.546 1.00 0.00 C ATOM 1229 CG GLU B 948 7.698 9.374 8.036 1.00 0.00 C ATOM 1230 CD GLU B 948 7.540 10.677 8.797 1.00 0.00 C ATOM 1231 OE1 GLU B 948 7.566 11.748 8.155 1.00 0.00 O ATOM 1232 OE2 GLU B 948 7.391 10.626 10.036 1.00 0.00 O ATOM 0 H GLU B 948 8.314 9.555 4.111 1.00 0.00 H new ATOM 0 HA GLU B 948 8.757 7.646 6.159 1.00 0.00 H new ATOM 0 HB2 GLU B 948 8.841 10.141 6.397 1.00 0.00 H new ATOM 0 HB3 GLU B 948 7.107 10.206 6.155 1.00 0.00 H new ATOM 0 HG2 GLU B 948 6.810 8.760 8.186 1.00 0.00 H new ATOM 0 HG3 GLU B 948 8.542 8.819 8.446 1.00 0.00 H new ATOM 1239 N MET B 949 5.687 7.952 5.019 1.00 0.00 N ATOM 1240 CA MET B 949 4.368 7.331 5.015 1.00 0.00 C ATOM 1241 C MET B 949 4.461 5.855 4.641 1.00 0.00 C ATOM 1242 O MET B 949 3.770 5.014 5.216 1.00 0.00 O ATOM 1243 CB MET B 949 3.443 8.059 4.037 1.00 0.00 C ATOM 1244 CG MET B 949 3.107 9.479 4.460 1.00 0.00 C ATOM 1245 SD MET B 949 2.140 10.363 3.220 1.00 0.00 S ATOM 1246 CE MET B 949 0.531 9.609 3.441 1.00 0.00 C ATOM 0 H MET B 949 5.799 8.707 4.343 1.00 0.00 H new ATOM 0 HA MET B 949 3.956 7.406 6.021 1.00 0.00 H new ATOM 0 HB2 MET B 949 3.914 8.083 3.054 1.00 0.00 H new ATOM 0 HB3 MET B 949 2.518 7.491 3.933 1.00 0.00 H new ATOM 0 HG2 MET B 949 2.552 9.453 5.397 1.00 0.00 H new ATOM 0 HG3 MET B 949 4.031 10.025 4.652 1.00 0.00 H new ATOM 0 HE1 MET B 949 -0.241 10.376 3.382 1.00 0.00 H new ATOM 0 HE2 MET B 949 0.366 8.867 2.660 1.00 0.00 H new ATOM 0 HE3 MET B 949 0.487 9.125 4.416 1.00 0.00 H new ATOM 1256 N ALA B 950 5.319 5.547 3.674 1.00 0.00 N ATOM 1257 CA ALA B 950 5.500 4.173 3.222 1.00 0.00 C ATOM 1258 C ALA B 950 6.496 3.427 4.104 1.00 0.00 C ATOM 1259 O ALA B 950 6.418 2.207 4.247 1.00 0.00 O ATOM 1260 CB ALA B 950 5.961 4.152 1.772 1.00 0.00 C ATOM 0 H ALA B 950 5.900 6.231 3.188 1.00 0.00 H new ATOM 0 HA ALA B 950 4.539 3.665 3.297 1.00 0.00 H new ATOM 0 HB1 ALA B 950 6.092 3.120 1.447 1.00 0.00 H new ATOM 0 HB2 ALA B 950 5.213 4.637 1.145 1.00 0.00 H new ATOM 0 HB3 ALA B 950 6.908 4.684 1.684 1.00 0.00 H new ATOM 1266 N LYS B 951 7.431 4.166 4.693 1.00 0.00 N ATOM 1267 CA LYS B 951 8.443 3.571 5.561 1.00 0.00 C ATOM 1268 C LYS B 951 7.794 2.795 6.705 1.00 0.00 C ATOM 1269 O LYS B 951 8.260 1.720 7.081 1.00 0.00 O ATOM 1270 CB LYS B 951 9.365 4.653 6.123 1.00 0.00 C ATOM 1271 CG LYS B 951 10.517 4.103 6.947 1.00 0.00 C ATOM 1272 CD LYS B 951 11.366 5.219 7.534 1.00 0.00 C ATOM 1273 CE LYS B 951 12.605 4.671 8.225 1.00 0.00 C ATOM 1274 NZ LYS B 951 13.787 5.552 8.025 1.00 0.00 N ATOM 0 H LYS B 951 7.509 5.177 4.586 1.00 0.00 H new ATOM 0 HA LYS B 951 9.033 2.876 4.963 1.00 0.00 H new ATOM 0 HB2 LYS B 951 9.768 5.240 5.298 1.00 0.00 H new ATOM 0 HB3 LYS B 951 8.779 5.333 6.742 1.00 0.00 H new ATOM 0 HG2 LYS B 951 10.125 3.481 7.752 1.00 0.00 H new ATOM 0 HG3 LYS B 951 11.139 3.462 6.322 1.00 0.00 H new ATOM 0 HD2 LYS B 951 11.664 5.906 6.742 1.00 0.00 H new ATOM 0 HD3 LYS B 951 10.773 5.792 8.247 1.00 0.00 H new ATOM 0 HE2 LYS B 951 12.408 4.564 9.292 1.00 0.00 H new ATOM 0 HE3 LYS B 951 12.825 3.675 7.840 1.00 0.00 H new ATOM 0 HZ1 LYS B 951 14.611 5.144 8.511 1.00 0.00 H new ATOM 0 HZ2 LYS B 951 13.991 5.634 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS B 951 13.587 6.495 8.415 1.00 0.00 H new ATOM 1288 N ALA B 952 6.718 3.349 7.253 1.00 0.00 N ATOM 1289 CA ALA B 952 6.007 2.709 8.353 1.00 0.00 C ATOM 1290 C ALA B 952 5.057 1.632 7.841 1.00 0.00 C ATOM 1291 O ALA B 952 4.960 0.550 8.420 1.00 0.00 O ATOM 1292 CB ALA B 952 5.245 3.748 9.162 1.00 0.00 C ATOM 0 H ALA B 952 6.320 4.239 6.954 1.00 0.00 H new ATOM 0 HA ALA B 952 6.742 2.229 8.999 1.00 0.00 H new ATOM 0 HB1 ALA B 952 4.718 3.257 9.980 1.00 0.00 H new ATOM 0 HB2 ALA B 952 5.945 4.479 9.567 1.00 0.00 H new ATOM 0 HB3 ALA B 952 4.525 4.254 8.519 1.00 0.00 H new ATOM 1298 N LEU B 953 4.355 1.937 6.754 1.00 0.00 N ATOM 1299 CA LEU B 953 3.410 0.996 6.165 1.00 0.00 C ATOM 1300 C LEU B 953 4.120 -0.260 5.671 1.00 0.00 C ATOM 1301 O LEU B 953 3.631 -1.374 5.856 1.00 0.00 O ATOM 1302 CB LEU B 953 2.657 1.658 5.009 1.00 0.00 C ATOM 1303 CG LEU B 953 1.489 0.845 4.447 1.00 0.00 C ATOM 1304 CD1 LEU B 953 0.404 1.769 3.915 1.00 0.00 C ATOM 1305 CD2 LEU B 953 1.973 -0.099 3.355 1.00 0.00 C ATOM 0 H LEU B 953 4.423 2.829 6.264 1.00 0.00 H new ATOM 0 HA LEU B 953 2.699 0.705 6.938 1.00 0.00 H new ATOM 0 HB2 LEU B 953 2.279 2.623 5.347 1.00 0.00 H new ATOM 0 HB3 LEU B 953 3.363 1.857 4.202 1.00 0.00 H new ATOM 0 HG LEU B 953 1.065 0.247 5.254 1.00 0.00 H new ATOM 0 HD11 LEU B 953 -0.419 1.174 3.519 1.00 0.00 H new ATOM 0 HD12 LEU B 953 0.038 2.403 4.723 1.00 0.00 H new ATOM 0 HD13 LEU B 953 0.815 2.393 3.122 1.00 0.00 H new ATOM 0 HD21 LEU B 953 1.129 -0.669 2.967 1.00 0.00 H new ATOM 0 HD22 LEU B 953 2.423 0.479 2.548 1.00 0.00 H new ATOM 0 HD23 LEU B 953 2.714 -0.783 3.768 1.00 0.00 H new ATOM 1317 N GLU B 954 5.274 -0.073 5.041 1.00 0.00 N ATOM 1318 CA GLU B 954 6.050 -1.194 4.519 1.00 0.00 C ATOM 1319 C GLU B 954 6.632 -2.033 5.651 1.00 0.00 C ATOM 1320 O GLU B 954 6.725 -3.256 5.547 1.00 0.00 O ATOM 1321 CB GLU B 954 7.174 -0.687 3.614 1.00 0.00 C ATOM 1322 CG GLU B 954 8.219 0.140 4.345 1.00 0.00 C ATOM 1323 CD GLU B 954 9.407 -0.686 4.796 1.00 0.00 C ATOM 1324 OE1 GLU B 954 9.292 -1.930 4.816 1.00 0.00 O ATOM 1325 OE2 GLU B 954 10.454 -0.090 5.127 1.00 0.00 O ATOM 0 H GLU B 954 5.693 0.843 4.879 1.00 0.00 H new ATOM 0 HA GLU B 954 5.379 -1.824 3.936 1.00 0.00 H new ATOM 0 HB2 GLU B 954 7.662 -1.540 3.143 1.00 0.00 H new ATOM 0 HB3 GLU B 954 6.742 -0.086 2.814 1.00 0.00 H new ATOM 0 HG2 GLU B 954 8.565 0.941 3.691 1.00 0.00 H new ATOM 0 HG3 GLU B 954 7.760 0.613 5.213 1.00 0.00 H new ATOM 1332 N ALA B 955 7.025 -1.367 6.733 1.00 0.00 N ATOM 1333 CA ALA B 955 7.600 -2.053 7.885 1.00 0.00 C ATOM 1334 C ALA B 955 6.585 -2.989 8.532 1.00 0.00 C ATOM 1335 O ALA B 955 6.950 -4.021 9.097 1.00 0.00 O ATOM 1336 CB ALA B 955 8.109 -1.040 8.900 1.00 0.00 C ATOM 0 H ALA B 955 6.956 -0.355 6.836 1.00 0.00 H new ATOM 0 HA ALA B 955 8.438 -2.656 7.536 1.00 0.00 H new ATOM 0 HB1 ALA B 955 8.536 -1.564 9.755 1.00 0.00 H new ATOM 0 HB2 ALA B 955 8.874 -0.416 8.439 1.00 0.00 H new ATOM 0 HB3 ALA B 955 7.282 -0.413 9.235 1.00 0.00 H new ATOM 1342 N GLU B 956 5.310 -2.622 8.449 1.00 0.00 N ATOM 1343 CA GLU B 956 4.244 -3.430 9.030 1.00 0.00 C ATOM 1344 C GLU B 956 4.142 -4.786 8.338 1.00 0.00 C ATOM 1345 O GLU B 956 3.874 -5.801 8.981 1.00 0.00 O ATOM 1346 CB GLU B 956 2.907 -2.693 8.931 1.00 0.00 C ATOM 1347 CG GLU B 956 2.810 -1.483 9.845 1.00 0.00 C ATOM 1348 CD GLU B 956 2.941 -1.847 11.311 1.00 0.00 C ATOM 1349 OE1 GLU B 956 2.774 -3.039 11.644 1.00 0.00 O ATOM 1350 OE2 GLU B 956 3.212 -0.939 12.126 1.00 0.00 O ATOM 0 H GLU B 956 4.990 -1.771 7.986 1.00 0.00 H new ATOM 0 HA GLU B 956 4.484 -3.598 10.080 1.00 0.00 H new ATOM 0 HB2 GLU B 956 2.754 -2.373 7.900 1.00 0.00 H new ATOM 0 HB3 GLU B 956 2.101 -3.386 9.173 1.00 0.00 H new ATOM 0 HG2 GLU B 956 3.590 -0.769 9.581 1.00 0.00 H new ATOM 0 HG3 GLU B 956 1.854 -0.985 9.682 1.00 0.00 H new ATOM 1357 N LEU B 957 4.355 -4.797 7.026 1.00 0.00 N ATOM 1358 CA LEU B 957 4.283 -6.031 6.252 1.00 0.00 C ATOM 1359 C LEU B 957 5.676 -6.573 5.931 1.00 0.00 C ATOM 1360 O LEU B 957 5.814 -7.698 5.450 1.00 0.00 O ATOM 1361 CB LEU B 957 3.493 -5.803 4.961 1.00 0.00 C ATOM 1362 CG LEU B 957 2.043 -6.288 5.004 1.00 0.00 C ATOM 1363 CD1 LEU B 957 1.306 -5.664 6.178 1.00 0.00 C ATOM 1364 CD2 LEU B 957 1.329 -5.972 3.697 1.00 0.00 C ATOM 0 H LEU B 957 4.579 -3.967 6.477 1.00 0.00 H new ATOM 0 HA LEU B 957 3.767 -6.775 6.859 1.00 0.00 H new ATOM 0 HB2 LEU B 957 3.499 -4.738 4.731 1.00 0.00 H new ATOM 0 HB3 LEU B 957 4.007 -6.308 4.143 1.00 0.00 H new ATOM 0 HG LEU B 957 2.050 -7.370 5.136 1.00 0.00 H new ATOM 0 HD11 LEU B 957 0.276 -6.021 6.192 1.00 0.00 H new ATOM 0 HD12 LEU B 957 1.800 -5.944 7.108 1.00 0.00 H new ATOM 0 HD13 LEU B 957 1.313 -4.579 6.076 1.00 0.00 H new ATOM 0 HD21 LEU B 957 0.299 -6.326 3.750 1.00 0.00 H new ATOM 0 HD22 LEU B 957 1.334 -4.895 3.531 1.00 0.00 H new ATOM 0 HD23 LEU B 957 1.841 -6.469 2.873 1.00 0.00 H new ATOM 1376 N ASN B 958 6.706 -5.775 6.202 1.00 0.00 N ATOM 1377 CA ASN B 958 8.080 -6.189 5.941 1.00 0.00 C ATOM 1378 C ASN B 958 8.410 -7.477 6.690 1.00 0.00 C ATOM 1379 O ASN B 958 9.169 -8.315 6.201 1.00 0.00 O ATOM 1380 CB ASN B 958 9.055 -5.083 6.348 1.00 0.00 C ATOM 1381 CG ASN B 958 10.479 -5.383 5.924 1.00 0.00 C ATOM 1382 OD1 ASN B 958 11.316 -5.764 6.743 1.00 0.00 O ATOM 1383 ND2 ASN B 958 10.763 -5.213 4.638 1.00 0.00 N ATOM 0 H ASN B 958 6.615 -4.841 6.601 1.00 0.00 H new ATOM 0 HA ASN B 958 8.181 -6.375 4.872 1.00 0.00 H new ATOM 0 HB2 ASN B 958 8.737 -4.140 5.903 1.00 0.00 H new ATOM 0 HB3 ASN B 958 9.021 -4.952 7.430 1.00 0.00 H new ATOM 0 HD21 ASN B 958 11.705 -5.400 4.295 1.00 0.00 H new ATOM 0 HD22 ASN B 958 10.039 -4.896 3.993 1.00 0.00 H new ATOM 1390 N ASP B 959 7.835 -7.626 7.879 1.00 0.00 N ATOM 1391 CA ASP B 959 8.066 -8.810 8.699 1.00 0.00 C ATOM 1392 C ASP B 959 6.863 -9.751 8.660 1.00 0.00 C ATOM 1393 O ASP B 959 6.989 -10.943 8.938 1.00 0.00 O ATOM 1394 CB ASP B 959 8.363 -8.405 10.144 1.00 0.00 C ATOM 1395 CG ASP B 959 8.793 -9.581 10.998 1.00 0.00 C ATOM 1396 OD1 ASP B 959 9.129 -10.640 10.427 1.00 0.00 O ATOM 1397 OD2 ASP B 959 8.796 -9.443 12.240 1.00 0.00 O ATOM 0 H ASP B 959 7.205 -6.941 8.297 1.00 0.00 H new ATOM 0 HA ASP B 959 8.927 -9.338 8.290 1.00 0.00 H new ATOM 0 HB2 ASP B 959 9.147 -7.648 10.152 1.00 0.00 H new ATOM 0 HB3 ASP B 959 7.475 -7.949 10.580 1.00 0.00 H new ATOM 1402 N LEU B 960 5.698 -9.208 8.313 1.00 0.00 N ATOM 1403 CA LEU B 960 4.474 -10.002 8.239 1.00 0.00 C ATOM 1404 C LEU B 960 4.661 -11.215 7.333 1.00 0.00 C ATOM 1405 O LEU B 960 4.088 -12.277 7.576 1.00 0.00 O ATOM 1406 CB LEU B 960 3.318 -9.141 7.727 1.00 0.00 C ATOM 1407 CG LEU B 960 1.983 -9.872 7.572 1.00 0.00 C ATOM 1408 CD1 LEU B 960 1.197 -9.835 8.874 1.00 0.00 C ATOM 1409 CD2 LEU B 960 1.171 -9.258 6.442 1.00 0.00 C ATOM 0 H LEU B 960 5.576 -8.223 8.079 1.00 0.00 H new ATOM 0 HA LEU B 960 4.240 -10.358 9.242 1.00 0.00 H new ATOM 0 HB2 LEU B 960 3.179 -8.304 8.411 1.00 0.00 H new ATOM 0 HB3 LEU B 960 3.599 -8.721 6.761 1.00 0.00 H new ATOM 0 HG LEU B 960 2.188 -10.914 7.326 1.00 0.00 H new ATOM 0 HD11 LEU B 960 0.251 -10.360 8.743 1.00 0.00 H new ATOM 0 HD12 LEU B 960 1.775 -10.319 9.662 1.00 0.00 H new ATOM 0 HD13 LEU B 960 1.002 -8.799 9.152 1.00 0.00 H new ATOM 0 HD21 LEU B 960 0.224 -9.789 6.344 1.00 0.00 H new ATOM 0 HD22 LEU B 960 0.977 -8.208 6.662 1.00 0.00 H new ATOM 0 HD23 LEU B 960 1.729 -9.336 5.509 1.00 0.00 H new ATOM 1421 N MET B 961 5.465 -11.049 6.288 1.00 0.00 N ATOM 1422 CA MET B 961 5.727 -12.131 5.345 1.00 0.00 C ATOM 1423 C MET B 961 6.313 -13.345 6.059 1.00 0.00 C ATOM 1424 O MET B 961 6.920 -13.163 7.135 1.00 0.00 O ATOM 1425 CB MET B 961 6.686 -11.660 4.250 1.00 0.00 C ATOM 1426 CG MET B 961 6.968 -12.716 3.195 1.00 0.00 C ATOM 1427 SD MET B 961 8.241 -12.206 2.024 1.00 0.00 S ATOM 1428 CE MET B 961 9.582 -13.302 2.481 1.00 0.00 C ATOM 1429 OXT MET B 961 6.158 -14.469 5.536 1.00 0.00 O ATOM 0 H MET B 961 5.946 -10.176 6.073 1.00 0.00 H new ATOM 0 HA MET B 961 4.779 -12.420 4.891 1.00 0.00 H new ATOM 0 HB2 MET B 961 6.267 -10.778 3.766 1.00 0.00 H new ATOM 0 HB3 MET B 961 7.627 -11.356 4.709 1.00 0.00 H new ATOM 0 HG2 MET B 961 7.279 -13.639 3.684 1.00 0.00 H new ATOM 0 HG3 MET B 961 6.049 -12.937 2.653 1.00 0.00 H new ATOM 0 HE1 MET B 961 10.444 -13.107 1.844 1.00 0.00 H new ATOM 0 HE2 MET B 961 9.854 -13.130 3.522 1.00 0.00 H new ATOM 0 HE3 MET B 961 9.265 -14.337 2.356 1.00 0.00 H new