USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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= -0.101 K(o=-0.079,f=-1.5) USER MOD Set 1.2: A 495 GLN : amide:sc= 0.0227 X(o=-0.079,f=-0.1) USER MOD Set 2.1: A 466 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Set 2.2: A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 453 GLN : amide:sc= 0 K(o=0,f=-0.93) 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 -25:sc= 0.505 USER MOD Single : A 468 MET CE :methyl 149:sc= -5.48! (180deg=-7.17!) USER MOD Single : A 469 THR OG1 : rot 180:sc= -0.0683 USER MOD Single : A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0488) USER MOD Single : A 478 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 479 THR OG1 : rot -60:sc= 0.556 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.9!) USER MOD Single : A 505 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0212) USER MOD Single : A 506 MET CE :methyl -163:sc= -0.1 (180deg=-0.532) USER MOD Single : A 508 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.18) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 512 HIS :FLIP no HD1:sc= -4.62! C(o=-5.4!,f=-4.6!) USER MOD Single : A 514 SER OG : rot 180:sc= 0 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 451 -20.182 -1.430 1.704 1.00 0.00 N ATOM 2 CA ASP A 451 -18.962 -0.608 1.491 1.00 0.00 C ATOM 3 C ASP A 451 -17.730 -1.287 2.080 1.00 0.00 C ATOM 4 O ASP A 451 -17.814 -1.970 3.101 1.00 0.00 O ATOM 5 CB ASP A 451 -19.175 0.759 2.143 1.00 0.00 C ATOM 6 CG ASP A 451 -19.421 0.655 3.636 1.00 0.00 C ATOM 7 OD1 ASP A 451 -18.435 0.543 4.394 1.00 0.00 O ATOM 8 OD2 ASP A 451 -20.600 0.685 4.046 1.00 0.00 O ATOM 0 HA ASP A 451 -18.792 -0.491 0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -18.300 1.384 1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -20.023 1.255 1.671 1.00 0.00 H new ATOM 12 N VAL A 452 -16.587 -1.095 1.430 1.00 0.00 N ATOM 13 CA VAL A 452 -15.337 -1.688 1.890 1.00 0.00 C ATOM 14 C VAL A 452 -14.359 -0.615 2.355 1.00 0.00 C ATOM 15 O VAL A 452 -14.183 0.408 1.693 1.00 0.00 O ATOM 16 CB VAL A 452 -14.672 -2.528 0.782 1.00 0.00 C ATOM 17 CG1 VAL A 452 -13.454 -3.261 1.323 1.00 0.00 C ATOM 18 CG2 VAL A 452 -15.669 -3.508 0.182 1.00 0.00 C ATOM 0 H VAL A 452 -16.501 -0.533 0.583 1.00 0.00 H new ATOM 0 HA VAL A 452 -15.585 -2.338 2.729 1.00 0.00 H new ATOM 0 HB VAL A 452 -14.340 -1.854 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -12.999 -3.848 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -12.731 -2.537 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -13.758 -3.924 2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -15.181 -4.092 -0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -16.035 -4.177 0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -16.507 -2.958 -0.247 1.00 0.00 H new ATOM 28 N GLN A 453 -13.724 -0.855 3.498 1.00 0.00 N ATOM 29 CA GLN A 453 -12.762 0.092 4.052 1.00 0.00 C ATOM 30 C GLN A 453 -11.353 -0.491 4.034 1.00 0.00 C ATOM 31 O GLN A 453 -11.168 -1.699 4.185 1.00 0.00 O ATOM 32 CB GLN A 453 -13.153 0.468 5.483 1.00 0.00 C ATOM 33 CG GLN A 453 -14.495 1.174 5.581 1.00 0.00 C ATOM 34 CD GLN A 453 -14.881 1.495 7.012 1.00 0.00 C ATOM 35 OE1 GLN A 453 -14.312 0.950 7.958 1.00 0.00 O ATOM 36 NE2 GLN A 453 -15.855 2.383 7.177 1.00 0.00 N ATOM 0 H GLN A 453 -13.858 -1.697 4.058 1.00 0.00 H new ATOM 0 HA GLN A 453 -12.772 0.988 3.432 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -13.182 -0.435 6.092 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -12.381 1.112 5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -14.459 2.097 5.002 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -15.265 0.546 5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -16.299 2.810 6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -16.159 2.638 8.117 1.00 0.00 H new ATOM 45 N VAL A 454 -10.362 0.375 3.849 1.00 0.00 N ATOM 46 CA VAL A 454 -8.972 -0.048 3.811 1.00 0.00 C ATOM 47 C VAL A 454 -8.522 -0.586 5.165 1.00 0.00 C ATOM 48 O VAL A 454 -8.844 -0.016 6.208 1.00 0.00 O ATOM 49 CB VAL A 454 -8.053 1.114 3.400 1.00 0.00 C ATOM 50 CG1 VAL A 454 -8.168 1.388 1.908 1.00 0.00 C ATOM 51 CG2 VAL A 454 -8.375 2.364 4.206 1.00 0.00 C ATOM 0 H VAL A 454 -10.500 1.378 3.723 1.00 0.00 H new ATOM 0 HA VAL A 454 -8.899 -0.844 3.070 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.023 0.828 3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.510 2.214 1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -7.879 0.497 1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -9.198 1.650 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.714 3.175 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -9.411 2.654 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -8.232 2.160 5.267 1.00 0.00 H new ATOM 61 N THR A 455 -7.777 -1.686 5.142 1.00 0.00 N ATOM 62 CA THR A 455 -7.282 -2.301 6.368 1.00 0.00 C ATOM 63 C THR A 455 -5.760 -2.407 6.348 1.00 0.00 C ATOM 64 O THR A 455 -5.160 -2.662 5.304 1.00 0.00 O ATOM 65 CB THR A 455 -7.899 -3.688 6.552 1.00 0.00 C ATOM 66 OG1 THR A 455 -9.313 -3.616 6.527 1.00 0.00 O ATOM 67 CG2 THR A 455 -7.497 -4.355 7.850 1.00 0.00 C ATOM 0 H THR A 455 -7.503 -2.170 4.287 1.00 0.00 H new ATOM 0 HA THR A 455 -7.573 -1.667 7.206 1.00 0.00 H new ATOM 0 HB THR A 455 -7.519 -4.284 5.722 1.00 0.00 H new ATOM 0 HG1 THR A 455 -9.688 -4.514 6.645 1.00 0.00 H new ATOM 0 HG21 THR A 455 -7.969 -5.335 7.917 1.00 0.00 H new ATOM 0 HG22 THR A 455 -6.414 -4.472 7.879 1.00 0.00 H new ATOM 0 HG23 THR A 455 -7.818 -3.739 8.690 1.00 0.00 H new ATOM 75 N GLU A 456 -5.142 -2.210 7.508 1.00 0.00 N ATOM 76 CA GLU A 456 -3.690 -2.284 7.623 1.00 0.00 C ATOM 77 C GLU A 456 -3.181 -3.662 7.214 1.00 0.00 C ATOM 78 O GLU A 456 -2.149 -3.783 6.554 1.00 0.00 O ATOM 79 CB GLU A 456 -3.256 -1.974 9.058 1.00 0.00 C ATOM 80 CG GLU A 456 -3.591 -0.561 9.505 1.00 0.00 C ATOM 81 CD GLU A 456 -3.146 -0.277 10.927 1.00 0.00 C ATOM 82 OE1 GLU A 456 -2.795 -1.238 11.643 1.00 0.00 O ATOM 83 OE2 GLU A 456 -3.149 0.907 11.324 1.00 0.00 O ATOM 0 H GLU A 456 -5.624 -1.998 8.382 1.00 0.00 H new ATOM 0 HA GLU A 456 -3.259 -1.543 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.734 -2.683 9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.180 -2.128 9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -3.116 0.151 8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -4.667 -0.405 9.427 1.00 0.00 H new ATOM 90 N ASP A 457 -3.912 -4.699 7.610 1.00 0.00 N ATOM 91 CA ASP A 457 -3.535 -6.070 7.286 1.00 0.00 C ATOM 92 C ASP A 457 -3.600 -6.314 5.782 1.00 0.00 C ATOM 93 O ASP A 457 -2.755 -7.010 5.219 1.00 0.00 O ATOM 94 CB ASP A 457 -4.449 -7.058 8.014 1.00 0.00 C ATOM 95 CG ASP A 457 -4.000 -8.495 7.842 1.00 0.00 C ATOM 96 OD1 ASP A 457 -3.108 -8.933 8.599 1.00 0.00 O ATOM 97 OD2 ASP A 457 -4.540 -9.183 6.951 1.00 0.00 O ATOM 0 H ASP A 457 -4.769 -4.616 8.156 1.00 0.00 H new ATOM 0 HA ASP A 457 -2.507 -6.224 7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -4.473 -6.812 9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -5.467 -6.951 7.639 1.00 0.00 H new ATOM 102 N ALA A 458 -4.610 -5.740 5.137 1.00 0.00 N ATOM 103 CA ALA A 458 -4.787 -5.897 3.699 1.00 0.00 C ATOM 104 C ALA A 458 -3.581 -5.361 2.934 1.00 0.00 C ATOM 105 O ALA A 458 -3.148 -5.952 1.945 1.00 0.00 O ATOM 106 CB ALA A 458 -6.057 -5.195 3.244 1.00 0.00 C ATOM 0 H ALA A 458 -5.319 -5.162 5.588 1.00 0.00 H new ATOM 0 HA ALA A 458 -4.876 -6.962 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -6.177 -5.320 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -6.916 -5.628 3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -5.990 -4.133 3.480 1.00 0.00 H new ATOM 112 N VAL A 459 -3.045 -4.237 3.398 1.00 0.00 N ATOM 113 CA VAL A 459 -1.890 -3.621 2.756 1.00 0.00 C ATOM 114 C VAL A 459 -0.655 -4.510 2.876 1.00 0.00 C ATOM 115 O VAL A 459 0.093 -4.682 1.914 1.00 0.00 O ATOM 116 CB VAL A 459 -1.578 -2.242 3.368 1.00 0.00 C ATOM 117 CG1 VAL A 459 -0.473 -1.546 2.588 1.00 0.00 C ATOM 118 CG2 VAL A 459 -2.833 -1.383 3.413 1.00 0.00 C ATOM 0 H VAL A 459 -3.392 -3.735 4.215 1.00 0.00 H new ATOM 0 HA VAL A 459 -2.142 -3.495 1.703 1.00 0.00 H new ATOM 0 HB VAL A 459 -1.229 -2.389 4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.268 -0.574 3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 459 0.430 -2.156 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -0.788 -1.409 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.594 -0.413 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.215 -1.243 2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.590 -1.877 4.022 1.00 0.00 H new ATOM 128 N ARG A 460 -0.448 -5.070 4.063 1.00 0.00 N ATOM 129 CA ARG A 460 0.697 -5.939 4.309 1.00 0.00 C ATOM 130 C ARG A 460 0.676 -7.148 3.379 1.00 0.00 C ATOM 131 O ARG A 460 1.724 -7.632 2.951 1.00 0.00 O ATOM 132 CB ARG A 460 0.707 -6.405 5.766 1.00 0.00 C ATOM 133 CG ARG A 460 0.895 -5.276 6.766 1.00 0.00 C ATOM 134 CD ARG A 460 1.075 -5.806 8.179 1.00 0.00 C ATOM 135 NE ARG A 460 -0.058 -6.624 8.606 1.00 0.00 N ATOM 136 CZ ARG A 460 -0.288 -6.971 9.870 1.00 0.00 C ATOM 137 NH1 ARG A 460 0.533 -6.572 10.835 1.00 0.00 N ATOM 138 NH2 ARG A 460 -1.341 -7.717 10.172 1.00 0.00 N ATOM 0 H ARG A 460 -1.058 -4.938 4.870 1.00 0.00 H new ATOM 0 HA ARG A 460 1.603 -5.366 4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -0.231 -6.917 5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 460 1.506 -7.134 5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 460 1.765 -4.682 6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 460 0.031 -4.612 6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 460 1.989 -6.398 8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 460 1.198 -4.969 8.867 1.00 0.00 H new ATOM 0 HE ARG A 460 -0.711 -6.948 7.893 1.00 0.00 H new ATOM 0 HH11 ARG A 460 1.344 -5.997 10.609 1.00 0.00 H new ATOM 0 HH12 ARG A 460 0.352 -6.841 11.802 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -1.976 -8.025 9.435 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -1.517 -7.983 11.141 1.00 0.00 H new ATOM 152 N ARG A 461 -0.523 -7.634 3.073 1.00 0.00 N ATOM 153 CA ARG A 461 -0.681 -8.790 2.196 1.00 0.00 C ATOM 154 C ARG A 461 0.029 -8.569 0.862 1.00 0.00 C ATOM 155 O ARG A 461 0.673 -9.475 0.334 1.00 0.00 O ATOM 156 CB ARG A 461 -2.165 -9.073 1.955 1.00 0.00 C ATOM 157 CG ARG A 461 -2.470 -10.536 1.677 1.00 0.00 C ATOM 158 CD ARG A 461 -1.796 -11.014 0.401 1.00 0.00 C ATOM 159 NE ARG A 461 -2.378 -12.259 -0.092 1.00 0.00 N ATOM 160 CZ ARG A 461 -1.808 -13.030 -1.016 1.00 0.00 C ATOM 161 NH1 ARG A 461 -0.640 -12.688 -1.547 1.00 0.00 N ATOM 162 NH2 ARG A 461 -2.406 -14.146 -1.409 1.00 0.00 N ATOM 0 H ARG A 461 -1.400 -7.245 3.419 1.00 0.00 H new ATOM 0 HA ARG A 461 -0.227 -9.650 2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -2.734 -8.752 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -2.508 -8.473 1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -2.134 -11.144 2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -3.548 -10.674 1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -1.884 -10.244 -0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -0.732 -11.160 0.586 1.00 0.00 H new ATOM 0 HE ARG A 461 -3.274 -12.556 0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -0.175 -11.831 -1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -0.208 -13.282 -2.254 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -3.303 -14.414 -1.004 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -1.969 -14.737 -2.117 1.00 0.00 H new ATOM 176 N TYR A 462 -0.094 -7.361 0.323 1.00 0.00 N ATOM 177 CA TYR A 462 0.535 -7.025 -0.949 1.00 0.00 C ATOM 178 C TYR A 462 2.042 -6.848 -0.786 1.00 0.00 C ATOM 179 O TYR A 462 2.820 -7.250 -1.651 1.00 0.00 O ATOM 180 CB TYR A 462 -0.080 -5.747 -1.523 1.00 0.00 C ATOM 181 CG TYR A 462 -1.567 -5.853 -1.781 1.00 0.00 C ATOM 182 CD1 TYR A 462 -2.049 -6.457 -2.935 1.00 0.00 C ATOM 183 CD2 TYR A 462 -2.487 -5.350 -0.870 1.00 0.00 C ATOM 184 CE1 TYR A 462 -3.407 -6.556 -3.175 1.00 0.00 C ATOM 185 CE2 TYR A 462 -3.846 -5.446 -1.102 1.00 0.00 C ATOM 186 CZ TYR A 462 -4.301 -6.049 -2.255 1.00 0.00 C ATOM 187 OH TYR A 462 -5.653 -6.145 -2.490 1.00 0.00 O ATOM 0 H TYR A 462 -0.623 -6.599 0.747 1.00 0.00 H new ATOM 0 HA TYR A 462 0.359 -7.850 -1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 462 0.103 -4.924 -0.832 1.00 0.00 H new ATOM 0 HB3 TYR A 462 0.425 -5.498 -2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -1.352 -6.856 -3.657 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -2.135 -4.876 0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -3.766 -7.028 -4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -4.548 -5.050 -0.383 1.00 0.00 H new ATOM 0 HH TYR A 462 -6.144 -5.740 -1.745 1.00 0.00 H new ATOM 197 N LEU A 463 2.447 -6.242 0.325 1.00 0.00 N ATOM 198 CA LEU A 463 3.861 -6.008 0.597 1.00 0.00 C ATOM 199 C LEU A 463 4.588 -7.315 0.900 1.00 0.00 C ATOM 200 O LEU A 463 5.723 -7.518 0.469 1.00 0.00 O ATOM 201 CB LEU A 463 4.022 -5.039 1.769 1.00 0.00 C ATOM 202 CG LEU A 463 3.821 -3.564 1.420 1.00 0.00 C ATOM 203 CD1 LEU A 463 2.355 -3.180 1.548 1.00 0.00 C ATOM 204 CD2 LEU A 463 4.685 -2.683 2.309 1.00 0.00 C ATOM 0 H LEU A 463 1.816 -5.904 1.052 1.00 0.00 H new ATOM 0 HA LEU A 463 4.306 -5.568 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 463 3.310 -5.313 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 463 5.019 -5.165 2.190 1.00 0.00 H new ATOM 0 HG LEU A 463 4.126 -3.411 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 463 2.231 -2.127 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 463 1.759 -3.788 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 463 2.023 -3.349 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 463 4.529 -1.637 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 463 4.412 -2.840 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 463 5.735 -2.940 2.166 1.00 0.00 H new ATOM 216 N THR A 464 3.931 -8.197 1.646 1.00 0.00 N ATOM 217 CA THR A 464 4.516 -9.478 2.006 1.00 0.00 C ATOM 218 C THR A 464 4.859 -10.297 0.765 1.00 0.00 C ATOM 219 O THR A 464 5.738 -11.158 0.802 1.00 0.00 O ATOM 220 CB THR A 464 3.551 -10.259 2.897 1.00 0.00 C ATOM 221 OG1 THR A 464 2.330 -10.504 2.222 1.00 0.00 O ATOM 222 CG2 THR A 464 3.225 -9.549 4.193 1.00 0.00 C ATOM 0 H THR A 464 2.991 -8.045 2.012 1.00 0.00 H new ATOM 0 HA THR A 464 5.440 -9.288 2.552 1.00 0.00 H new ATOM 0 HB THR A 464 4.066 -11.191 3.132 1.00 0.00 H new ATOM 0 HG1 THR A 464 2.196 -9.823 1.530 1.00 0.00 H new ATOM 0 HG21 THR A 464 2.535 -10.158 4.778 1.00 0.00 H new ATOM 0 HG22 THR A 464 4.141 -9.391 4.762 1.00 0.00 H new ATOM 0 HG23 THR A 464 2.763 -8.586 3.974 1.00 0.00 H new ATOM 230 N ARG A 465 4.160 -10.026 -0.334 1.00 0.00 N ATOM 231 CA ARG A 465 4.396 -10.742 -1.582 1.00 0.00 C ATOM 232 C ARG A 465 5.648 -10.225 -2.279 1.00 0.00 C ATOM 233 O ARG A 465 6.634 -10.947 -2.426 1.00 0.00 O ATOM 234 CB ARG A 465 3.188 -10.604 -2.510 1.00 0.00 C ATOM 235 CG ARG A 465 3.034 -11.760 -3.485 1.00 0.00 C ATOM 236 CD ARG A 465 4.228 -11.862 -4.420 1.00 0.00 C ATOM 237 NE ARG A 465 4.040 -12.893 -5.438 1.00 0.00 N ATOM 238 CZ ARG A 465 4.755 -12.968 -6.558 1.00 0.00 C ATOM 239 NH1 ARG A 465 5.707 -12.077 -6.807 1.00 0.00 N ATOM 240 NH2 ARG A 465 4.519 -13.938 -7.431 1.00 0.00 N ATOM 0 H ARG A 465 3.428 -9.318 -0.385 1.00 0.00 H new ATOM 0 HA ARG A 465 4.544 -11.795 -1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 465 2.284 -10.526 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 465 3.277 -9.675 -3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 465 2.923 -12.692 -2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 465 2.123 -11.626 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 465 4.392 -10.900 -4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 465 5.124 -12.084 -3.841 1.00 0.00 H new ATOM 0 HE ARG A 465 3.318 -13.597 -5.281 1.00 0.00 H new ATOM 0 HH11 ARG A 465 5.894 -11.330 -6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 465 6.252 -12.140 -7.667 1.00 0.00 H new ATOM 0 HH21 ARG A 465 3.790 -14.626 -7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 465 5.067 -13.996 -8.290 1.00 0.00 H new ATOM 254 N LYS A 466 5.599 -8.971 -2.704 1.00 0.00 N ATOM 255 CA LYS A 466 6.728 -8.349 -3.387 1.00 0.00 C ATOM 256 C LYS A 466 6.819 -6.862 -3.048 1.00 0.00 C ATOM 257 O LYS A 466 5.800 -6.194 -2.876 1.00 0.00 O ATOM 258 CB LYS A 466 6.597 -8.530 -4.901 1.00 0.00 C ATOM 259 CG LYS A 466 5.235 -8.132 -5.445 1.00 0.00 C ATOM 260 CD LYS A 466 5.313 -7.747 -6.914 1.00 0.00 C ATOM 261 CE LYS A 466 4.333 -6.634 -7.250 1.00 0.00 C ATOM 262 NZ LYS A 466 2.990 -7.167 -7.608 1.00 0.00 N ATOM 0 H LYS A 466 4.789 -8.362 -2.589 1.00 0.00 H new ATOM 0 HA LYS A 466 7.640 -8.838 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 466 7.365 -7.937 -5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 466 6.789 -9.573 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 466 4.537 -8.960 -5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 466 4.842 -7.294 -4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 466 6.327 -7.426 -7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 466 5.100 -8.619 -7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 466 4.241 -5.961 -6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 466 4.723 -6.045 -8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 2.366 -6.381 -7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 3.080 -7.829 -8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 2.584 -7.664 -6.790 1.00 0.00 H new ATOM 276 N PRO A 467 8.047 -6.320 -2.948 1.00 0.00 N ATOM 277 CA PRO A 467 8.259 -4.903 -2.630 1.00 0.00 C ATOM 278 C PRO A 467 7.553 -3.980 -3.617 1.00 0.00 C ATOM 279 O PRO A 467 7.605 -4.196 -4.828 1.00 0.00 O ATOM 280 CB PRO A 467 9.778 -4.731 -2.732 1.00 0.00 C ATOM 281 CG PRO A 467 10.334 -6.100 -2.550 1.00 0.00 C ATOM 282 CD PRO A 467 9.319 -7.039 -3.137 1.00 0.00 C ATOM 0 HA PRO A 467 7.855 -4.642 -1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 467 10.064 -4.314 -3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 467 10.150 -4.049 -1.967 1.00 0.00 H new ATOM 0 HG2 PRO A 467 11.296 -6.201 -3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 467 10.502 -6.316 -1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 467 9.516 -7.238 -4.190 1.00 0.00 H new ATOM 0 HD3 PRO A 467 9.317 -8.001 -2.625 1.00 0.00 H new ATOM 290 N MET A 468 6.894 -2.952 -3.094 1.00 0.00 N ATOM 291 CA MET A 468 6.179 -1.998 -3.934 1.00 0.00 C ATOM 292 C MET A 468 6.275 -0.587 -3.363 1.00 0.00 C ATOM 293 O MET A 468 6.456 -0.404 -2.159 1.00 0.00 O ATOM 294 CB MET A 468 4.711 -2.405 -4.069 1.00 0.00 C ATOM 295 CG MET A 468 4.515 -3.765 -4.720 1.00 0.00 C ATOM 296 SD MET A 468 2.796 -4.082 -5.163 1.00 0.00 S ATOM 297 CE MET A 468 2.003 -3.942 -3.563 1.00 0.00 C ATOM 0 H MET A 468 6.840 -2.758 -2.094 1.00 0.00 H new ATOM 0 HA MET A 468 6.644 -2.004 -4.920 1.00 0.00 H new ATOM 0 HB2 MET A 468 4.253 -2.415 -3.080 1.00 0.00 H new ATOM 0 HB3 MET A 468 4.186 -1.651 -4.656 1.00 0.00 H new ATOM 0 HG2 MET A 468 5.134 -3.828 -5.615 1.00 0.00 H new ATOM 0 HG3 MET A 468 4.860 -4.543 -4.039 1.00 0.00 H new ATOM 0 HE1 MET A 468 0.988 -3.567 -3.692 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.970 -4.922 -3.086 1.00 0.00 H new ATOM 0 HE3 MET A 468 2.568 -3.252 -2.936 1.00 0.00 H new ATOM 307 N THR A 469 6.149 0.408 -4.235 1.00 0.00 N ATOM 308 CA THR A 469 6.218 1.804 -3.819 1.00 0.00 C ATOM 309 C THR A 469 4.846 2.304 -3.379 1.00 0.00 C ATOM 310 O THR A 469 3.834 1.640 -3.600 1.00 0.00 O ATOM 311 CB THR A 469 6.748 2.673 -4.960 1.00 0.00 C ATOM 312 OG1 THR A 469 5.765 2.835 -5.966 1.00 0.00 O ATOM 313 CG2 THR A 469 7.988 2.105 -5.618 1.00 0.00 C ATOM 0 H THR A 469 5.998 0.273 -5.235 1.00 0.00 H new ATOM 0 HA THR A 469 6.902 1.874 -2.973 1.00 0.00 H new ATOM 0 HB THR A 469 7.004 3.628 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 469 6.123 3.395 -6.686 1.00 0.00 H new ATOM 0 HG21 THR A 469 8.312 2.770 -6.419 1.00 0.00 H new ATOM 0 HG22 THR A 469 8.783 2.014 -4.878 1.00 0.00 H new ATOM 0 HG23 THR A 469 7.763 1.122 -6.031 1.00 0.00 H new ATOM 321 N THR A 470 4.818 3.477 -2.756 1.00 0.00 N ATOM 322 CA THR A 470 3.567 4.064 -2.286 1.00 0.00 C ATOM 323 C THR A 470 2.548 4.163 -3.417 1.00 0.00 C ATOM 324 O THR A 470 1.376 3.831 -3.242 1.00 0.00 O ATOM 325 CB THR A 470 3.822 5.450 -1.692 1.00 0.00 C ATOM 326 OG1 THR A 470 4.537 6.263 -2.606 1.00 0.00 O ATOM 327 CG2 THR A 470 4.606 5.413 -0.399 1.00 0.00 C ATOM 0 H THR A 470 5.646 4.040 -2.564 1.00 0.00 H new ATOM 0 HA THR A 470 3.159 3.412 -1.513 1.00 0.00 H new ATOM 0 HB THR A 470 2.834 5.862 -1.486 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.689 7.146 -2.209 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.751 6.429 -0.032 1.00 0.00 H new ATOM 0 HG22 THR A 470 4.056 4.835 0.343 1.00 0.00 H new ATOM 0 HG23 THR A 470 5.576 4.949 -0.575 1.00 0.00 H new ATOM 335 N LYS A 471 3.004 4.622 -4.577 1.00 0.00 N ATOM 336 CA LYS A 471 2.134 4.766 -5.739 1.00 0.00 C ATOM 337 C LYS A 471 1.623 3.409 -6.213 1.00 0.00 C ATOM 338 O LYS A 471 0.490 3.290 -6.679 1.00 0.00 O ATOM 339 CB LYS A 471 2.880 5.468 -6.876 1.00 0.00 C ATOM 340 CG LYS A 471 2.008 5.759 -8.086 1.00 0.00 C ATOM 341 CD LYS A 471 1.065 6.922 -7.827 1.00 0.00 C ATOM 342 CE LYS A 471 0.246 7.261 -9.062 1.00 0.00 C ATOM 343 NZ LYS A 471 -0.574 8.489 -8.866 1.00 0.00 N ATOM 0 H LYS A 471 3.972 4.901 -4.738 1.00 0.00 H new ATOM 0 HA LYS A 471 1.277 5.372 -5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 471 3.295 6.405 -6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 471 3.721 4.848 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 471 2.640 5.986 -8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 471 1.430 4.871 -8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 471 0.396 6.673 -7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 471 1.639 7.796 -7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 471 0.913 7.402 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 471 -0.408 6.423 -9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 -1.117 8.685 -9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 -1.229 8.346 -8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 0.051 9.294 -8.659 1.00 0.00 H new ATOM 357 N ASP A 472 2.467 2.388 -6.094 1.00 0.00 N ATOM 358 CA ASP A 472 2.100 1.039 -6.515 1.00 0.00 C ATOM 359 C ASP A 472 0.854 0.556 -5.782 1.00 0.00 C ATOM 360 O ASP A 472 -0.038 -0.045 -6.382 1.00 0.00 O ATOM 361 CB ASP A 472 3.259 0.072 -6.267 1.00 0.00 C ATOM 362 CG ASP A 472 4.462 0.373 -7.140 1.00 0.00 C ATOM 363 OD1 ASP A 472 4.307 1.121 -8.128 1.00 0.00 O ATOM 364 OD2 ASP A 472 5.560 -0.139 -6.834 1.00 0.00 O ATOM 0 H ASP A 472 3.409 2.469 -5.710 1.00 0.00 H new ATOM 0 HA ASP A 472 1.881 1.068 -7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.553 0.123 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 472 2.924 -0.948 -6.455 1.00 0.00 H new ATOM 369 N LEU A 473 0.799 0.823 -4.484 1.00 0.00 N ATOM 370 CA LEU A 473 -0.338 0.417 -3.667 1.00 0.00 C ATOM 371 C LEU A 473 -1.627 1.059 -4.170 1.00 0.00 C ATOM 372 O LEU A 473 -2.688 0.434 -4.162 1.00 0.00 O ATOM 373 CB LEU A 473 -0.098 0.798 -2.204 1.00 0.00 C ATOM 374 CG LEU A 473 0.844 -0.128 -1.425 1.00 0.00 C ATOM 375 CD1 LEU A 473 0.058 -1.236 -0.744 1.00 0.00 C ATOM 376 CD2 LEU A 473 1.912 -0.716 -2.339 1.00 0.00 C ATOM 0 H LEU A 473 1.529 1.320 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 473 -0.443 -0.665 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 473 0.307 1.809 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.060 0.824 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 473 1.344 0.465 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 473 0.742 -1.884 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 473 -0.661 -0.799 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.472 -1.821 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 473 2.566 -1.369 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 473 1.435 -1.291 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 473 2.500 0.090 -2.778 1.00 0.00 H new ATOM 388 N LEU A 474 -1.528 2.310 -4.608 1.00 0.00 N ATOM 389 CA LEU A 474 -2.686 3.035 -5.117 1.00 0.00 C ATOM 390 C LEU A 474 -3.265 2.342 -6.345 1.00 0.00 C ATOM 391 O LEU A 474 -4.482 2.278 -6.520 1.00 0.00 O ATOM 392 CB LEU A 474 -2.301 4.475 -5.463 1.00 0.00 C ATOM 393 CG LEU A 474 -3.453 5.353 -5.954 1.00 0.00 C ATOM 394 CD1 LEU A 474 -4.434 5.627 -4.824 1.00 0.00 C ATOM 395 CD2 LEU A 474 -2.921 6.657 -6.528 1.00 0.00 C ATOM 0 H LEU A 474 -0.658 2.842 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.447 3.047 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -1.861 4.939 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -1.528 4.454 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 474 -3.981 4.819 -6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -5.247 6.253 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -4.840 4.684 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -3.919 6.141 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -3.754 7.270 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -2.369 7.195 -5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -2.258 6.442 -7.366 1.00 0.00 H new ATOM 407 N LYS A 475 -2.384 1.822 -7.194 1.00 0.00 N ATOM 408 CA LYS A 475 -2.806 1.132 -8.408 1.00 0.00 C ATOM 409 C LYS A 475 -3.678 -0.074 -8.073 1.00 0.00 C ATOM 410 O LYS A 475 -4.613 -0.400 -8.805 1.00 0.00 O ATOM 411 CB LYS A 475 -1.586 0.685 -9.216 1.00 0.00 C ATOM 412 CG LYS A 475 -1.941 0.018 -10.535 1.00 0.00 C ATOM 413 CD LYS A 475 -2.150 -1.478 -10.365 1.00 0.00 C ATOM 414 CE LYS A 475 -2.069 -2.207 -11.696 1.00 0.00 C ATOM 415 NZ LYS A 475 -3.051 -1.676 -12.681 1.00 0.00 N ATOM 0 H LYS A 475 -1.373 1.865 -7.064 1.00 0.00 H new ATOM 0 HA LYS A 475 -3.394 1.828 -9.006 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -0.955 1.551 -9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -0.997 -0.008 -8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -2.847 0.469 -10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -1.146 0.195 -11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.398 -1.876 -9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -3.122 -1.661 -9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.061 -2.112 -12.101 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -2.251 -3.270 -11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -3.096 -2.311 -13.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -3.990 -1.616 -12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -2.754 -0.729 -12.992 1.00 0.00 H new ATOM 429 N LYS A 476 -3.366 -0.734 -6.962 1.00 0.00 N ATOM 430 CA LYS A 476 -4.121 -1.905 -6.529 1.00 0.00 C ATOM 431 C LYS A 476 -5.594 -1.561 -6.331 1.00 0.00 C ATOM 432 O LYS A 476 -6.474 -2.373 -6.615 1.00 0.00 O ATOM 433 CB LYS A 476 -3.536 -2.463 -5.231 1.00 0.00 C ATOM 434 CG LYS A 476 -2.071 -2.855 -5.343 1.00 0.00 C ATOM 435 CD LYS A 476 -1.870 -3.976 -6.349 1.00 0.00 C ATOM 436 CE LYS A 476 -0.435 -4.478 -6.344 1.00 0.00 C ATOM 437 NZ LYS A 476 -0.331 -5.870 -6.863 1.00 0.00 N ATOM 0 H LYS A 476 -2.595 -0.478 -6.345 1.00 0.00 H new ATOM 0 HA LYS A 476 -4.046 -2.663 -7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -3.645 -1.718 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -4.115 -3.335 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -1.483 -1.987 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -1.702 -3.170 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -2.546 -4.800 -6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -2.129 -3.622 -7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 476 0.183 -3.817 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -0.040 -4.439 -5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 0.663 -6.175 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -0.900 -6.506 -6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -0.684 -5.903 -7.841 1.00 0.00 H new ATOM 451 N PHE A 477 -5.854 -0.353 -5.842 1.00 0.00 N ATOM 452 CA PHE A 477 -7.222 0.097 -5.607 1.00 0.00 C ATOM 453 C PHE A 477 -7.688 1.042 -6.712 1.00 0.00 C ATOM 454 O PHE A 477 -8.632 1.810 -6.525 1.00 0.00 O ATOM 455 CB PHE A 477 -7.324 0.793 -4.249 1.00 0.00 C ATOM 456 CG PHE A 477 -7.006 -0.105 -3.088 1.00 0.00 C ATOM 457 CD1 PHE A 477 -7.983 -0.919 -2.537 1.00 0.00 C ATOM 458 CD2 PHE A 477 -5.730 -0.136 -2.548 1.00 0.00 C ATOM 459 CE1 PHE A 477 -7.693 -1.747 -1.469 1.00 0.00 C ATOM 460 CE2 PHE A 477 -5.434 -0.962 -1.480 1.00 0.00 C ATOM 461 CZ PHE A 477 -6.417 -1.768 -0.940 1.00 0.00 C ATOM 0 H PHE A 477 -5.137 0.331 -5.601 1.00 0.00 H new ATOM 0 HA PHE A 477 -7.870 -0.780 -5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.645 1.645 -4.235 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.333 1.187 -4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.982 -0.906 -2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -4.958 0.493 -2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -8.463 -2.377 -1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -4.436 -0.977 -1.068 1.00 0.00 H new ATOM 0 HZ PHE A 477 -6.188 -2.414 -0.105 1.00 0.00 H new ATOM 471 N GLN A 478 -7.022 0.983 -7.863 1.00 0.00 N ATOM 472 CA GLN A 478 -7.374 1.835 -8.993 1.00 0.00 C ATOM 473 C GLN A 478 -8.794 1.549 -9.469 1.00 0.00 C ATOM 474 O GLN A 478 -9.530 2.462 -9.843 1.00 0.00 O ATOM 475 CB GLN A 478 -6.386 1.627 -10.142 1.00 0.00 C ATOM 476 CG GLN A 478 -6.565 2.614 -11.284 1.00 0.00 C ATOM 477 CD GLN A 478 -5.658 2.315 -12.461 1.00 0.00 C ATOM 478 OE1 GLN A 478 -5.758 1.257 -13.083 1.00 0.00 O ATOM 479 NE2 GLN A 478 -4.766 3.248 -12.773 1.00 0.00 N ATOM 0 H GLN A 478 -6.237 0.355 -8.036 1.00 0.00 H new ATOM 0 HA GLN A 478 -7.324 2.873 -8.663 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -5.370 1.711 -9.756 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -6.498 0.614 -10.528 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -7.603 2.595 -11.616 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -6.364 3.622 -10.922 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -4.718 4.110 -12.230 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -4.128 3.103 -13.556 1.00 0.00 H new ATOM 488 N THR A 479 -9.172 0.275 -9.454 1.00 0.00 N ATOM 489 CA THR A 479 -10.505 -0.132 -9.884 1.00 0.00 C ATOM 490 C THR A 479 -11.052 -1.240 -8.989 1.00 0.00 C ATOM 491 O THR A 479 -11.152 -2.395 -9.403 1.00 0.00 O ATOM 492 CB THR A 479 -10.471 -0.603 -11.339 1.00 0.00 C ATOM 493 OG1 THR A 479 -11.706 -1.193 -11.704 1.00 0.00 O ATOM 494 CG2 THR A 479 -9.380 -1.614 -11.616 1.00 0.00 C ATOM 0 H THR A 479 -8.574 -0.493 -9.149 1.00 0.00 H new ATOM 0 HA THR A 479 -11.166 0.731 -9.804 1.00 0.00 H new ATOM 0 HB THR A 479 -10.272 0.293 -11.927 1.00 0.00 H new ATOM 0 HG1 THR A 479 -11.886 -1.961 -11.123 1.00 0.00 H new ATOM 0 HG21 THR A 479 -9.412 -1.906 -12.666 1.00 0.00 H new ATOM 0 HG22 THR A 479 -8.409 -1.172 -11.392 1.00 0.00 H new ATOM 0 HG23 THR A 479 -9.532 -2.494 -10.990 1.00 0.00 H new ATOM 502 N LYS A 480 -11.404 -0.879 -7.759 1.00 0.00 N ATOM 503 CA LYS A 480 -11.941 -1.841 -6.805 1.00 0.00 C ATOM 504 C LYS A 480 -13.196 -1.295 -6.131 1.00 0.00 C ATOM 505 O LYS A 480 -13.226 -0.146 -5.692 1.00 0.00 O ATOM 506 CB LYS A 480 -10.889 -2.184 -5.748 1.00 0.00 C ATOM 507 CG LYS A 480 -11.323 -3.285 -4.793 1.00 0.00 C ATOM 508 CD LYS A 480 -10.269 -3.546 -3.730 1.00 0.00 C ATOM 509 CE LYS A 480 -10.628 -4.749 -2.873 1.00 0.00 C ATOM 510 NZ LYS A 480 -10.223 -6.030 -3.516 1.00 0.00 N ATOM 0 H LYS A 480 -11.327 0.073 -7.400 1.00 0.00 H new ATOM 0 HA LYS A 480 -12.207 -2.747 -7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -9.970 -2.489 -6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -10.657 -1.287 -5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -12.262 -3.005 -4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -11.511 -4.201 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -9.303 -3.713 -4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -10.164 -2.665 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -10.142 -4.661 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -11.703 -4.758 -2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -10.485 -6.826 -2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -10.707 -6.127 -4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -9.194 -6.033 -3.666 1.00 0.00 H new ATOM 524 N LYS A 481 -14.230 -2.127 -6.053 1.00 0.00 N ATOM 525 CA LYS A 481 -15.487 -1.726 -5.433 1.00 0.00 C ATOM 526 C LYS A 481 -15.286 -1.403 -3.956 1.00 0.00 C ATOM 527 O LYS A 481 -15.460 -2.262 -3.092 1.00 0.00 O ATOM 528 CB LYS A 481 -16.532 -2.832 -5.587 1.00 0.00 C ATOM 529 CG LYS A 481 -17.157 -2.889 -6.972 1.00 0.00 C ATOM 530 CD LYS A 481 -18.670 -2.749 -6.911 1.00 0.00 C ATOM 531 CE LYS A 481 -19.116 -1.346 -7.290 1.00 0.00 C ATOM 532 NZ LYS A 481 -20.329 -0.925 -6.536 1.00 0.00 N ATOM 0 H LYS A 481 -14.222 -3.082 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 481 -15.842 -0.828 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -16.067 -3.793 -5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -17.319 -2.682 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -16.742 -2.094 -7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -16.898 -3.834 -7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -19.131 -3.472 -7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -19.018 -2.983 -5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -18.306 -0.643 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -19.322 -1.307 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -20.600 0.037 -6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -21.110 -1.581 -6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -20.125 -0.937 -5.516 1.00 0.00 H new ATOM 546 N THR A 482 -14.920 -0.157 -3.674 1.00 0.00 N ATOM 547 CA THR A 482 -14.696 0.282 -2.301 1.00 0.00 C ATOM 548 C THR A 482 -15.782 1.257 -1.855 1.00 0.00 C ATOM 549 O THR A 482 -16.103 1.343 -0.670 1.00 0.00 O ATOM 550 CB THR A 482 -13.321 0.940 -2.173 1.00 0.00 C ATOM 551 OG1 THR A 482 -13.272 2.147 -2.913 1.00 0.00 O ATOM 552 CG2 THR A 482 -12.189 0.059 -2.655 1.00 0.00 C ATOM 0 H THR A 482 -14.772 0.567 -4.378 1.00 0.00 H new ATOM 0 HA THR A 482 -14.734 -0.595 -1.655 1.00 0.00 H new ATOM 0 HB THR A 482 -13.187 1.125 -1.107 1.00 0.00 H new ATOM 0 HG1 THR A 482 -12.386 2.554 -2.817 1.00 0.00 H new ATOM 0 HG21 THR A 482 -11.242 0.586 -2.536 1.00 0.00 H new ATOM 0 HG22 THR A 482 -12.169 -0.860 -2.069 1.00 0.00 H new ATOM 0 HG23 THR A 482 -12.340 -0.184 -3.707 1.00 0.00 H new ATOM 560 N GLY A 483 -16.343 1.990 -2.812 1.00 0.00 N ATOM 561 CA GLY A 483 -17.386 2.948 -2.495 1.00 0.00 C ATOM 562 C GLY A 483 -16.855 4.363 -2.368 1.00 0.00 C ATOM 563 O GLY A 483 -17.586 5.329 -2.585 1.00 0.00 O ATOM 0 H GLY A 483 -16.094 1.938 -3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -18.150 2.918 -3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -17.869 2.659 -1.561 1.00 0.00 H new ATOM 567 N LEU A 484 -15.580 4.485 -2.015 1.00 0.00 N ATOM 568 CA LEU A 484 -14.951 5.792 -1.859 1.00 0.00 C ATOM 569 C LEU A 484 -14.106 6.138 -3.081 1.00 0.00 C ATOM 570 O LEU A 484 -13.519 5.259 -3.711 1.00 0.00 O ATOM 571 CB LEU A 484 -14.083 5.816 -0.600 1.00 0.00 C ATOM 572 CG LEU A 484 -14.804 5.424 0.692 1.00 0.00 C ATOM 573 CD1 LEU A 484 -13.870 5.557 1.885 1.00 0.00 C ATOM 574 CD2 LEU A 484 -16.047 6.279 0.887 1.00 0.00 C ATOM 0 H LEU A 484 -14.962 3.695 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 484 -15.739 6.538 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -13.239 5.142 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -13.673 6.819 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 484 -15.113 4.382 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -14.399 5.274 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -13.009 4.903 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -13.531 6.590 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -16.548 5.987 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -15.761 7.329 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -16.724 6.134 0.045 1.00 0.00 H new ATOM 586 N SER A 485 -14.049 7.425 -3.409 1.00 0.00 N ATOM 587 CA SER A 485 -13.275 7.887 -4.556 1.00 0.00 C ATOM 588 C SER A 485 -11.802 7.521 -4.402 1.00 0.00 C ATOM 589 O SER A 485 -11.308 7.351 -3.287 1.00 0.00 O ATOM 590 CB SER A 485 -13.421 9.401 -4.719 1.00 0.00 C ATOM 591 OG SER A 485 -14.782 9.769 -4.867 1.00 0.00 O ATOM 0 H SER A 485 -14.529 8.166 -2.898 1.00 0.00 H new ATOM 0 HA SER A 485 -13.662 7.393 -5.447 1.00 0.00 H new ATOM 0 HB2 SER A 485 -12.997 9.906 -3.851 1.00 0.00 H new ATOM 0 HB3 SER A 485 -12.855 9.733 -5.589 1.00 0.00 H new ATOM 0 HG SER A 485 -14.849 10.742 -4.968 1.00 0.00 H new ATOM 597 N SER A 486 -11.107 7.400 -5.528 1.00 0.00 N ATOM 598 CA SER A 486 -9.690 7.053 -5.518 1.00 0.00 C ATOM 599 C SER A 486 -8.882 8.081 -4.732 1.00 0.00 C ATOM 600 O SER A 486 -7.934 7.733 -4.029 1.00 0.00 O ATOM 601 CB SER A 486 -9.158 6.957 -6.949 1.00 0.00 C ATOM 602 OG SER A 486 -9.925 6.047 -7.719 1.00 0.00 O ATOM 0 H SER A 486 -11.501 7.537 -6.459 1.00 0.00 H new ATOM 0 HA SER A 486 -9.583 6.084 -5.030 1.00 0.00 H new ATOM 0 HB2 SER A 486 -9.181 7.942 -7.415 1.00 0.00 H new ATOM 0 HB3 SER A 486 -8.116 6.636 -6.932 1.00 0.00 H new ATOM 0 HG SER A 486 -9.566 6.005 -8.630 1.00 0.00 H new ATOM 608 N GLU A 487 -9.265 9.348 -4.855 1.00 0.00 N ATOM 609 CA GLU A 487 -8.575 10.425 -4.155 1.00 0.00 C ATOM 610 C GLU A 487 -8.661 10.235 -2.645 1.00 0.00 C ATOM 611 O GLU A 487 -7.688 10.461 -1.925 1.00 0.00 O ATOM 612 CB GLU A 487 -9.172 11.779 -4.545 1.00 0.00 C ATOM 613 CG GLU A 487 -8.428 12.965 -3.953 1.00 0.00 C ATOM 614 CD GLU A 487 -9.092 14.291 -4.272 1.00 0.00 C ATOM 615 OE1 GLU A 487 -10.155 14.282 -4.928 1.00 0.00 O ATOM 616 OE2 GLU A 487 -8.547 15.340 -3.866 1.00 0.00 O ATOM 0 H GLU A 487 -10.049 9.653 -5.432 1.00 0.00 H new ATOM 0 HA GLU A 487 -7.525 10.400 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -9.173 11.867 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -10.212 11.815 -4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -8.365 12.846 -2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -7.406 12.974 -4.333 1.00 0.00 H new ATOM 623 N GLN A 488 -9.830 9.817 -2.171 1.00 0.00 N ATOM 624 CA GLN A 488 -10.042 9.595 -0.746 1.00 0.00 C ATOM 625 C GLN A 488 -9.148 8.471 -0.232 1.00 0.00 C ATOM 626 O GLN A 488 -8.637 8.533 0.886 1.00 0.00 O ATOM 627 CB GLN A 488 -11.510 9.261 -0.473 1.00 0.00 C ATOM 628 CG GLN A 488 -12.472 10.358 -0.899 1.00 0.00 C ATOM 629 CD GLN A 488 -12.151 11.695 -0.260 1.00 0.00 C ATOM 630 OE1 GLN A 488 -12.136 11.825 0.964 1.00 0.00 O ATOM 631 NE2 GLN A 488 -11.891 12.699 -1.090 1.00 0.00 N ATOM 0 H GLN A 488 -10.645 9.625 -2.753 1.00 0.00 H new ATOM 0 HA GLN A 488 -9.782 10.512 -0.218 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -11.768 8.340 -0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -11.639 9.070 0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -12.442 10.461 -1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -13.489 10.068 -0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -11.915 12.546 -2.098 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -11.668 13.623 -0.719 1.00 0.00 H new ATOM 640 N THR A 489 -8.964 7.445 -1.056 1.00 0.00 N ATOM 641 CA THR A 489 -8.132 6.307 -0.686 1.00 0.00 C ATOM 642 C THR A 489 -6.697 6.747 -0.415 1.00 0.00 C ATOM 643 O THR A 489 -6.036 6.225 0.482 1.00 0.00 O ATOM 644 CB THR A 489 -8.153 5.252 -1.793 1.00 0.00 C ATOM 645 OG1 THR A 489 -9.483 4.873 -2.099 1.00 0.00 O ATOM 646 CG2 THR A 489 -7.388 3.995 -1.437 1.00 0.00 C ATOM 0 H THR A 489 -9.380 7.379 -1.985 1.00 0.00 H new ATOM 0 HA THR A 489 -8.539 5.874 0.228 1.00 0.00 H new ATOM 0 HB THR A 489 -7.669 5.722 -2.649 1.00 0.00 H new ATOM 0 HG1 THR A 489 -9.476 4.199 -2.810 1.00 0.00 H new ATOM 0 HG21 THR A 489 -7.443 3.289 -2.265 1.00 0.00 H new ATOM 0 HG22 THR A 489 -6.345 4.246 -1.243 1.00 0.00 H new ATOM 0 HG23 THR A 489 -7.824 3.544 -0.546 1.00 0.00 H new ATOM 654 N VAL A 490 -6.221 7.710 -1.197 1.00 0.00 N ATOM 655 CA VAL A 490 -4.865 8.220 -1.043 1.00 0.00 C ATOM 656 C VAL A 490 -4.659 8.823 0.343 1.00 0.00 C ATOM 657 O VAL A 490 -3.641 8.582 0.991 1.00 0.00 O ATOM 658 CB VAL A 490 -4.541 9.286 -2.107 1.00 0.00 C ATOM 659 CG1 VAL A 490 -3.077 9.694 -2.029 1.00 0.00 C ATOM 660 CG2 VAL A 490 -4.886 8.773 -3.497 1.00 0.00 C ATOM 0 H VAL A 490 -6.755 8.153 -1.944 1.00 0.00 H new ATOM 0 HA VAL A 490 -4.192 7.372 -1.172 1.00 0.00 H new ATOM 0 HB VAL A 490 -5.149 10.168 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 490 -2.868 10.447 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 490 -2.866 10.106 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 490 -2.447 8.822 -2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -4.651 9.539 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -4.306 7.875 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -5.949 8.537 -3.544 1.00 0.00 H new ATOM 670 N ASN A 491 -5.633 9.609 0.792 1.00 0.00 N ATOM 671 CA ASN A 491 -5.557 10.247 2.101 1.00 0.00 C ATOM 672 C ASN A 491 -5.443 9.206 3.210 1.00 0.00 C ATOM 673 O ASN A 491 -4.602 9.323 4.100 1.00 0.00 O ATOM 674 CB ASN A 491 -6.788 11.125 2.335 1.00 0.00 C ATOM 675 CG ASN A 491 -6.632 12.029 3.543 1.00 0.00 C ATOM 676 OD1 ASN A 491 -5.613 11.992 4.232 1.00 0.00 O ATOM 677 ND2 ASN A 491 -7.646 12.846 3.805 1.00 0.00 N ATOM 0 H ASN A 491 -6.483 9.819 0.269 1.00 0.00 H new ATOM 0 HA ASN A 491 -4.664 10.871 2.121 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -6.970 11.734 1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -7.663 10.490 2.470 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -7.599 13.477 4.605 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -8.472 12.843 3.206 1.00 0.00 H new ATOM 684 N VAL A 492 -6.295 8.188 3.148 1.00 0.00 N ATOM 685 CA VAL A 492 -6.290 7.126 4.147 1.00 0.00 C ATOM 686 C VAL A 492 -5.071 6.224 3.981 1.00 0.00 C ATOM 687 O VAL A 492 -4.431 5.840 4.960 1.00 0.00 O ATOM 688 CB VAL A 492 -7.566 6.267 4.062 1.00 0.00 C ATOM 689 CG1 VAL A 492 -7.619 5.269 5.208 1.00 0.00 C ATOM 690 CG2 VAL A 492 -8.804 7.152 4.058 1.00 0.00 C ATOM 0 H VAL A 492 -6.997 8.076 2.417 1.00 0.00 H new ATOM 0 HA VAL A 492 -6.252 7.609 5.123 1.00 0.00 H new ATOM 0 HB VAL A 492 -7.543 5.707 3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.528 4.672 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -6.749 4.614 5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.618 5.805 6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -9.696 6.529 3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -8.834 7.740 4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -8.770 7.821 3.198 1.00 0.00 H new ATOM 700 N LEU A 493 -4.756 5.888 2.734 1.00 0.00 N ATOM 701 CA LEU A 493 -3.615 5.030 2.438 1.00 0.00 C ATOM 702 C LEU A 493 -2.314 5.671 2.913 1.00 0.00 C ATOM 703 O LEU A 493 -1.405 4.983 3.376 1.00 0.00 O ATOM 704 CB LEU A 493 -3.539 4.747 0.936 1.00 0.00 C ATOM 705 CG LEU A 493 -2.522 3.680 0.528 1.00 0.00 C ATOM 706 CD1 LEU A 493 -2.981 2.960 -0.730 1.00 0.00 C ATOM 707 CD2 LEU A 493 -1.151 4.303 0.318 1.00 0.00 C ATOM 0 H LEU A 493 -5.275 6.197 1.912 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.752 4.089 2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -4.525 4.438 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -3.296 5.675 0.419 1.00 0.00 H new ATOM 0 HG LEU A 493 -2.447 2.949 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -2.245 2.204 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.942 2.480 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -3.085 3.679 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -0.440 3.529 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -1.210 5.055 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.819 4.772 1.244 1.00 0.00 H new ATOM 719 N ALA A 494 -2.232 6.991 2.793 1.00 0.00 N ATOM 720 CA ALA A 494 -1.043 7.722 3.210 1.00 0.00 C ATOM 721 C ALA A 494 -0.901 7.720 4.728 1.00 0.00 C ATOM 722 O ALA A 494 0.210 7.690 5.258 1.00 0.00 O ATOM 723 CB ALA A 494 -1.089 9.148 2.684 1.00 0.00 C ATOM 0 H ALA A 494 -2.975 7.576 2.410 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.172 7.219 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -0.194 9.683 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -1.134 9.133 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -1.972 9.652 3.076 1.00 0.00 H new ATOM 729 N GLN A 495 -2.033 7.756 5.423 1.00 0.00 N ATOM 730 CA GLN A 495 -2.037 7.763 6.881 1.00 0.00 C ATOM 731 C GLN A 495 -1.835 6.357 7.440 1.00 0.00 C ATOM 732 O GLN A 495 -1.106 6.166 8.414 1.00 0.00 O ATOM 733 CB GLN A 495 -3.350 8.346 7.405 1.00 0.00 C ATOM 734 CG GLN A 495 -3.536 9.818 7.075 1.00 0.00 C ATOM 735 CD GLN A 495 -4.800 10.396 7.680 1.00 0.00 C ATOM 736 OE1 GLN A 495 -4.848 10.704 8.871 1.00 0.00 O ATOM 737 NE2 GLN A 495 -5.834 10.545 6.859 1.00 0.00 N ATOM 0 H GLN A 495 -2.960 7.781 4.999 1.00 0.00 H new ATOM 0 HA GLN A 495 -1.208 8.387 7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.182 7.780 6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -3.389 8.217 8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.675 10.379 7.437 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.566 9.943 5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -5.750 10.276 5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -6.712 10.928 7.209 1.00 0.00 H new ATOM 746 N ILE A 496 -2.487 5.377 6.822 1.00 0.00 N ATOM 747 CA ILE A 496 -2.379 3.991 7.265 1.00 0.00 C ATOM 748 C ILE A 496 -0.929 3.516 7.232 1.00 0.00 C ATOM 749 O ILE A 496 -0.463 2.841 8.150 1.00 0.00 O ATOM 750 CB ILE A 496 -3.263 3.058 6.401 1.00 0.00 C ATOM 751 CG1 ILE A 496 -3.836 1.928 7.258 1.00 0.00 C ATOM 752 CG2 ILE A 496 -2.491 2.489 5.216 1.00 0.00 C ATOM 753 CD1 ILE A 496 -5.290 1.625 6.964 1.00 0.00 C ATOM 0 H ILE A 496 -3.095 5.516 6.015 1.00 0.00 H new ATOM 0 HA ILE A 496 -2.735 3.949 8.294 1.00 0.00 H new ATOM 0 HB ILE A 496 -4.084 3.654 6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -3.245 1.026 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -3.734 2.193 8.310 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -3.145 1.840 4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -2.137 3.305 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.639 1.915 5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -5.630 0.814 7.608 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -5.892 2.514 7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -5.396 1.329 5.920 1.00 0.00 H new ATOM 765 N LEU A 497 -0.225 3.876 6.167 1.00 0.00 N ATOM 766 CA LEU A 497 1.173 3.490 6.005 1.00 0.00 C ATOM 767 C LEU A 497 2.025 4.035 7.147 1.00 0.00 C ATOM 768 O LEU A 497 2.952 3.372 7.613 1.00 0.00 O ATOM 769 CB LEU A 497 1.712 3.994 4.666 1.00 0.00 C ATOM 770 CG LEU A 497 1.137 3.297 3.432 1.00 0.00 C ATOM 771 CD1 LEU A 497 1.534 4.040 2.165 1.00 0.00 C ATOM 772 CD2 LEU A 497 1.605 1.850 3.372 1.00 0.00 C ATOM 0 H LEU A 497 -0.599 4.436 5.400 1.00 0.00 H new ATOM 0 HA LEU A 497 1.227 2.401 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 497 1.509 5.062 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 497 2.795 3.875 4.660 1.00 0.00 H new ATOM 0 HG LEU A 497 0.050 3.305 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.116 3.529 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 497 1.150 5.059 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 497 2.621 4.064 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.187 1.369 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 497 2.693 1.821 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.270 1.322 4.265 1.00 0.00 H new ATOM 784 N LYS A 498 1.707 5.246 7.594 1.00 0.00 N ATOM 785 CA LYS A 498 2.447 5.877 8.681 1.00 0.00 C ATOM 786 C LYS A 498 2.391 5.026 9.946 1.00 0.00 C ATOM 787 O LYS A 498 3.413 4.781 10.586 1.00 0.00 O ATOM 788 CB LYS A 498 1.885 7.272 8.966 1.00 0.00 C ATOM 789 CG LYS A 498 2.145 8.272 7.852 1.00 0.00 C ATOM 790 CD LYS A 498 1.646 9.659 8.221 1.00 0.00 C ATOM 791 CE LYS A 498 1.799 10.632 7.064 1.00 0.00 C ATOM 792 NZ LYS A 498 3.209 11.080 6.897 1.00 0.00 N ATOM 0 H LYS A 498 0.943 5.809 7.221 1.00 0.00 H new ATOM 0 HA LYS A 498 3.488 5.967 8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 498 0.810 7.195 9.130 1.00 0.00 H new ATOM 0 HB3 LYS A 498 2.322 7.649 9.891 1.00 0.00 H new ATOM 0 HG2 LYS A 498 3.213 8.313 7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 498 1.652 7.938 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 498 0.598 9.603 8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 498 2.200 10.028 9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 498 1.457 10.158 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 498 1.160 11.499 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 3.270 11.742 6.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 3.528 11.555 7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 3.815 10.256 6.711 1.00 0.00 H new ATOM 806 N ARG A 499 1.191 4.576 10.298 1.00 0.00 N ATOM 807 CA ARG A 499 1.004 3.751 11.485 1.00 0.00 C ATOM 808 C ARG A 499 1.656 2.384 11.304 1.00 0.00 C ATOM 809 O ARG A 499 2.224 1.826 12.244 1.00 0.00 O ATOM 810 CB ARG A 499 -0.487 3.582 11.786 1.00 0.00 C ATOM 811 CG ARG A 499 -1.127 4.818 12.398 1.00 0.00 C ATOM 812 CD ARG A 499 -1.490 5.842 11.336 1.00 0.00 C ATOM 813 NE ARG A 499 -2.130 7.024 11.910 1.00 0.00 N ATOM 814 CZ ARG A 499 -1.484 7.942 12.626 1.00 0.00 C ATOM 815 NH1 ARG A 499 -0.183 7.819 12.857 1.00 0.00 N ATOM 816 NH2 ARG A 499 -2.141 8.986 13.112 1.00 0.00 N ATOM 0 H ARG A 499 0.335 4.769 9.778 1.00 0.00 H new ATOM 0 HA ARG A 499 1.482 4.254 12.326 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -1.010 3.331 10.863 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -0.619 2.740 12.466 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -2.023 4.530 12.948 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -0.441 5.266 13.117 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -0.590 6.142 10.799 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -2.159 5.386 10.606 1.00 0.00 H new ATOM 0 HE ARG A 499 -3.130 7.153 11.753 1.00 0.00 H new ATOM 0 HH11 ARG A 499 0.327 7.018 12.485 1.00 0.00 H new ATOM 0 HH12 ARG A 499 0.306 8.526 13.406 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -3.141 9.086 12.937 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -1.646 9.689 13.661 1.00 0.00 H new ATOM 830 N LEU A 500 1.571 1.851 10.090 1.00 0.00 N ATOM 831 CA LEU A 500 2.152 0.549 9.784 1.00 0.00 C ATOM 832 C LEU A 500 3.668 0.576 9.951 1.00 0.00 C ATOM 833 O LEU A 500 4.273 -0.408 10.375 1.00 0.00 O ATOM 834 CB LEU A 500 1.792 0.130 8.357 1.00 0.00 C ATOM 835 CG LEU A 500 2.226 -1.284 7.968 1.00 0.00 C ATOM 836 CD1 LEU A 500 1.378 -2.319 8.692 1.00 0.00 C ATOM 837 CD2 LEU A 500 2.133 -1.473 6.462 1.00 0.00 C ATOM 0 H LEU A 500 1.105 2.301 9.302 1.00 0.00 H new ATOM 0 HA LEU A 500 1.741 -0.178 10.484 1.00 0.00 H new ATOM 0 HB2 LEU A 500 0.712 0.209 8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.245 0.837 7.662 1.00 0.00 H new ATOM 0 HG LEU A 500 3.265 -1.422 8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 500 1.700 -3.320 8.404 1.00 0.00 H new ATOM 0 HD12 LEU A 500 1.495 -2.196 9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 500 0.330 -2.184 8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 500 2.445 -2.484 6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 500 1.104 -1.317 6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 500 2.783 -0.753 5.964 1.00 0.00 H new ATOM 849 N ASN A 501 4.274 1.709 9.614 1.00 0.00 N ATOM 850 CA ASN A 501 5.719 1.866 9.726 1.00 0.00 C ATOM 851 C ASN A 501 6.446 0.849 8.847 1.00 0.00 C ATOM 852 O ASN A 501 7.299 0.099 9.324 1.00 0.00 O ATOM 853 CB ASN A 501 6.159 1.709 11.183 1.00 0.00 C ATOM 854 CG ASN A 501 5.997 2.991 11.977 1.00 0.00 C ATOM 855 OD1 ASN A 501 6.035 4.088 11.420 1.00 0.00 O ATOM 856 ND2 ASN A 501 5.816 2.858 13.285 1.00 0.00 N ATOM 0 H ASN A 501 3.787 2.532 9.261 1.00 0.00 H new ATOM 0 HA ASN A 501 5.980 2.867 9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 501 5.575 0.918 11.653 1.00 0.00 H new ATOM 0 HB3 ASN A 501 7.203 1.396 11.213 1.00 0.00 H new ATOM 0 HD21 ASN A 501 5.702 3.685 13.871 1.00 0.00 H new ATOM 0 HD22 ASN A 501 5.791 1.929 13.705 1.00 0.00 H new ATOM 863 N PRO A 502 6.117 0.811 7.544 1.00 0.00 N ATOM 864 CA PRO A 502 6.742 -0.119 6.598 1.00 0.00 C ATOM 865 C PRO A 502 8.193 0.245 6.302 1.00 0.00 C ATOM 866 O PRO A 502 8.597 1.398 6.450 1.00 0.00 O ATOM 867 CB PRO A 502 5.886 0.028 5.339 1.00 0.00 C ATOM 868 CG PRO A 502 5.318 1.402 5.427 1.00 0.00 C ATOM 869 CD PRO A 502 5.111 1.671 6.892 1.00 0.00 C ATOM 0 HA PRO A 502 6.778 -1.136 6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 502 6.484 -0.096 4.436 1.00 0.00 H new ATOM 0 HB3 PRO A 502 5.098 -0.725 5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.996 2.134 4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.377 1.471 4.881 1.00 0.00 H new ATOM 0 HD2 PRO A 502 5.265 2.723 7.133 1.00 0.00 H new ATOM 0 HD3 PRO A 502 4.099 1.416 7.208 1.00 0.00 H new ATOM 877 N GLU A 503 8.972 -0.747 5.881 1.00 0.00 N ATOM 878 CA GLU A 503 10.378 -0.532 5.562 1.00 0.00 C ATOM 879 C GLU A 503 10.543 -0.094 4.111 1.00 0.00 C ATOM 880 O GLU A 503 9.638 -0.264 3.294 1.00 0.00 O ATOM 881 CB GLU A 503 11.182 -1.808 5.816 1.00 0.00 C ATOM 882 CG GLU A 503 12.635 -1.551 6.183 1.00 0.00 C ATOM 883 CD GLU A 503 13.406 -2.829 6.455 1.00 0.00 C ATOM 884 OE1 GLU A 503 12.800 -3.918 6.373 1.00 0.00 O ATOM 885 OE2 GLU A 503 14.616 -2.740 6.750 1.00 0.00 O ATOM 0 H GLU A 503 8.653 -1.707 5.753 1.00 0.00 H new ATOM 0 HA GLU A 503 10.755 0.260 6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 503 10.708 -2.372 6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 503 11.147 -2.433 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 503 13.119 -1.005 5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 503 12.675 -0.913 7.066 1.00 0.00 H new ATOM 892 N ARG A 504 11.703 0.472 3.796 1.00 0.00 N ATOM 893 CA ARG A 504 11.985 0.936 2.442 1.00 0.00 C ATOM 894 C ARG A 504 13.285 0.333 1.918 1.00 0.00 C ATOM 895 O ARG A 504 14.258 0.190 2.658 1.00 0.00 O ATOM 896 CB ARG A 504 12.070 2.463 2.412 1.00 0.00 C ATOM 897 CG ARG A 504 13.171 3.029 3.294 1.00 0.00 C ATOM 898 CD ARG A 504 12.652 3.370 4.682 1.00 0.00 C ATOM 899 NE ARG A 504 13.678 3.998 5.510 1.00 0.00 N ATOM 900 CZ ARG A 504 13.449 4.493 6.724 1.00 0.00 C ATOM 901 NH1 ARG A 504 12.233 4.436 7.254 1.00 0.00 N ATOM 902 NH2 ARG A 504 14.439 5.048 7.411 1.00 0.00 N ATOM 0 H ARG A 504 12.463 0.621 4.460 1.00 0.00 H new ATOM 0 HA ARG A 504 11.169 0.610 1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 504 12.235 2.789 1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 504 11.113 2.878 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 504 13.982 2.305 3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 504 13.587 3.923 2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 504 11.796 4.040 4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 504 12.298 2.462 5.170 1.00 0.00 H new ATOM 0 HE ARG A 504 14.625 4.061 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 504 11.468 4.011 6.730 1.00 0.00 H new ATOM 0 HH12 ARG A 504 12.064 4.817 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 504 15.375 5.095 7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 504 14.264 5.428 8.341 1.00 0.00 H new ATOM 916 N LYS A 505 13.292 -0.018 0.636 1.00 0.00 N ATOM 917 CA LYS A 505 14.471 -0.605 0.010 1.00 0.00 C ATOM 918 C LYS A 505 14.713 0.004 -1.367 1.00 0.00 C ATOM 919 O LYS A 505 13.772 0.387 -2.062 1.00 0.00 O ATOM 920 CB LYS A 505 14.309 -2.121 -0.111 1.00 0.00 C ATOM 921 CG LYS A 505 14.123 -2.821 1.225 1.00 0.00 C ATOM 922 CD LYS A 505 14.190 -4.333 1.076 1.00 0.00 C ATOM 923 CE LYS A 505 13.074 -4.854 0.185 1.00 0.00 C ATOM 924 NZ LYS A 505 13.241 -6.301 -0.124 1.00 0.00 N ATOM 0 H LYS A 505 12.494 0.094 0.010 1.00 0.00 H new ATOM 0 HA LYS A 505 15.333 -0.389 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 505 13.451 -2.337 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 505 15.187 -2.533 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 505 14.893 -2.489 1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 505 13.162 -2.539 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 505 15.155 -4.616 0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 505 14.121 -4.800 2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 505 12.114 -4.696 0.676 1.00 0.00 H new ATOM 0 HE3 LYS A 505 13.055 -4.284 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 12.542 -6.586 -0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 14.200 -6.469 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 13.099 -6.860 0.742 1.00 0.00 H new ATOM 938 N MET A 506 15.981 0.090 -1.756 1.00 0.00 N ATOM 939 CA MET A 506 16.346 0.651 -3.052 1.00 0.00 C ATOM 940 C MET A 506 16.456 -0.443 -4.108 1.00 0.00 C ATOM 941 O MET A 506 17.423 -1.204 -4.131 1.00 0.00 O ATOM 942 CB MET A 506 17.671 1.409 -2.947 1.00 0.00 C ATOM 943 CG MET A 506 17.600 2.638 -2.054 1.00 0.00 C ATOM 944 SD MET A 506 19.115 3.615 -2.096 1.00 0.00 S ATOM 945 CE MET A 506 20.313 2.407 -1.538 1.00 0.00 C ATOM 0 H MET A 506 16.772 -0.221 -1.193 1.00 0.00 H new ATOM 0 HA MET A 506 15.561 1.344 -3.354 1.00 0.00 H new ATOM 0 HB2 MET A 506 18.436 0.735 -2.563 1.00 0.00 H new ATOM 0 HB3 MET A 506 17.986 1.713 -3.945 1.00 0.00 H new ATOM 0 HG2 MET A 506 16.762 3.261 -2.366 1.00 0.00 H new ATOM 0 HG3 MET A 506 17.401 2.326 -1.029 1.00 0.00 H new ATOM 0 HE1 MET A 506 21.224 2.916 -1.223 1.00 0.00 H new ATOM 0 HE2 MET A 506 19.901 1.847 -0.698 1.00 0.00 H new ATOM 0 HE3 MET A 506 20.545 1.721 -2.353 1.00 0.00 H new ATOM 955 N ILE A 507 15.458 -0.516 -4.984 1.00 0.00 N ATOM 956 CA ILE A 507 15.442 -1.517 -6.044 1.00 0.00 C ATOM 957 C ILE A 507 15.355 -0.859 -7.417 1.00 0.00 C ATOM 958 O ILE A 507 14.469 -0.043 -7.671 1.00 0.00 O ATOM 959 CB ILE A 507 14.261 -2.493 -5.877 1.00 0.00 C ATOM 960 CG1 ILE A 507 14.233 -3.057 -4.456 1.00 0.00 C ATOM 961 CG2 ILE A 507 14.354 -3.618 -6.897 1.00 0.00 C ATOM 962 CD1 ILE A 507 13.033 -3.934 -4.177 1.00 0.00 C ATOM 0 H ILE A 507 14.650 0.107 -4.980 1.00 0.00 H new ATOM 0 HA ILE A 507 16.376 -2.074 -5.969 1.00 0.00 H new ATOM 0 HB ILE A 507 13.333 -1.948 -6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 507 15.142 -3.634 -4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 507 14.242 -2.230 -3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 507 13.513 -4.299 -6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 507 14.329 -3.200 -7.903 1.00 0.00 H new ATOM 0 HG23 ILE A 507 15.287 -4.163 -6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 507 13.079 -4.299 -3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 507 12.120 -3.356 -4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 507 13.034 -4.781 -4.863 1.00 0.00 H new ATOM 974 N ASN A 508 16.279 -1.222 -8.301 1.00 0.00 N ATOM 975 CA ASN A 508 16.307 -0.668 -9.651 1.00 0.00 C ATOM 976 C ASN A 508 16.415 0.854 -9.614 1.00 0.00 C ATOM 977 O ASN A 508 15.741 1.553 -10.371 1.00 0.00 O ATOM 978 CB ASN A 508 15.052 -1.085 -10.420 1.00 0.00 C ATOM 979 CG ASN A 508 15.201 -0.892 -11.917 1.00 0.00 C ATOM 980 OD1 ASN A 508 16.057 -1.509 -12.552 1.00 0.00 O ATOM 981 ND2 ASN A 508 14.367 -0.031 -12.488 1.00 0.00 N ATOM 0 H ASN A 508 17.018 -1.897 -8.107 1.00 0.00 H new ATOM 0 HA ASN A 508 17.186 -1.062 -10.161 1.00 0.00 H new ATOM 0 HB2 ASN A 508 14.832 -2.132 -10.211 1.00 0.00 H new ATOM 0 HB3 ASN A 508 14.201 -0.504 -10.064 1.00 0.00 H new ATOM 0 HD21 ASN A 508 14.420 0.141 -13.492 1.00 0.00 H new ATOM 0 HD22 ASN A 508 13.673 0.458 -11.923 1.00 0.00 H new ATOM 988 N ASP A 509 17.268 1.360 -8.730 1.00 0.00 N ATOM 989 CA ASP A 509 17.465 2.799 -8.594 1.00 0.00 C ATOM 990 C ASP A 509 16.153 3.501 -8.258 1.00 0.00 C ATOM 991 O ASP A 509 15.881 4.598 -8.744 1.00 0.00 O ATOM 992 CB ASP A 509 18.051 3.379 -9.883 1.00 0.00 C ATOM 993 CG ASP A 509 19.443 2.852 -10.174 1.00 0.00 C ATOM 994 OD1 ASP A 509 20.082 2.317 -9.244 1.00 0.00 O ATOM 995 OD2 ASP A 509 19.894 2.976 -11.332 1.00 0.00 O ATOM 0 H ASP A 509 17.834 0.795 -8.097 1.00 0.00 H new ATOM 0 HA ASP A 509 18.165 2.967 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 509 17.393 3.139 -10.718 1.00 0.00 H new ATOM 0 HB3 ASP A 509 18.086 4.466 -9.806 1.00 0.00 H new ATOM 1000 N LYS A 510 15.342 2.859 -7.422 1.00 0.00 N ATOM 1001 CA LYS A 510 14.058 3.421 -7.020 1.00 0.00 C ATOM 1002 C LYS A 510 13.696 2.989 -5.603 1.00 0.00 C ATOM 1003 O LYS A 510 14.089 1.914 -5.151 1.00 0.00 O ATOM 1004 CB LYS A 510 12.961 2.988 -7.994 1.00 0.00 C ATOM 1005 CG LYS A 510 11.666 3.769 -7.838 1.00 0.00 C ATOM 1006 CD LYS A 510 10.526 3.115 -8.601 1.00 0.00 C ATOM 1007 CE LYS A 510 10.709 3.256 -10.104 1.00 0.00 C ATOM 1008 NZ LYS A 510 9.415 3.498 -10.801 1.00 0.00 N ATOM 0 H LYS A 510 15.552 1.950 -7.010 1.00 0.00 H new ATOM 0 HA LYS A 510 14.142 4.508 -7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 510 13.326 3.105 -9.014 1.00 0.00 H new ATOM 0 HB3 LYS A 510 12.756 1.927 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 510 11.406 3.837 -6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 510 11.809 4.788 -8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 510 10.469 2.059 -8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 510 9.580 3.569 -8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 510 11.392 4.080 -10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 510 11.171 2.352 -10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 9.583 3.588 -11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 8.771 2.700 -10.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 8.986 4.375 -10.442 1.00 0.00 H new ATOM 1022 N MET A 511 12.946 3.836 -4.905 1.00 0.00 N ATOM 1023 CA MET A 511 12.532 3.541 -3.538 1.00 0.00 C ATOM 1024 C MET A 511 11.300 2.642 -3.523 1.00 0.00 C ATOM 1025 O MET A 511 10.287 2.949 -4.153 1.00 0.00 O ATOM 1026 CB MET A 511 12.240 4.838 -2.781 1.00 0.00 C ATOM 1027 CG MET A 511 13.463 5.719 -2.588 1.00 0.00 C ATOM 1028 SD MET A 511 13.123 7.167 -1.570 1.00 0.00 S ATOM 1029 CE MET A 511 14.695 8.021 -1.659 1.00 0.00 C ATOM 0 H MET A 511 12.613 4.731 -5.263 1.00 0.00 H new ATOM 0 HA MET A 511 13.349 3.015 -3.044 1.00 0.00 H new ATOM 0 HB2 MET A 511 11.479 5.401 -3.322 1.00 0.00 H new ATOM 0 HB3 MET A 511 11.822 4.593 -1.805 1.00 0.00 H new ATOM 0 HG2 MET A 511 14.258 5.134 -2.126 1.00 0.00 H new ATOM 0 HG3 MET A 511 13.830 6.043 -3.562 1.00 0.00 H new ATOM 0 HE1 MET A 511 14.643 8.941 -1.076 1.00 0.00 H new ATOM 0 HE2 MET A 511 15.480 7.381 -1.257 1.00 0.00 H new ATOM 0 HE3 MET A 511 14.920 8.262 -2.698 1.00 0.00 H new ATOM 1039 N HIS A 512 11.394 1.531 -2.800 1.00 0.00 N ATOM 1040 CA HIS A 512 10.287 0.586 -2.701 1.00 0.00 C ATOM 1041 C HIS A 512 10.006 0.228 -1.246 1.00 0.00 C ATOM 1042 O HIS A 512 10.893 0.304 -0.396 1.00 0.00 O ATOM 1043 CB HIS A 512 10.598 -0.682 -3.499 1.00 0.00 C ATOM 1044 CG HIS A 512 10.586 -0.475 -4.982 1.00 0.00 C ATOM 1045 ND1 HIS A 512 9.559 -0.452 -5.865 1.00 0.00 N flip ATOM 1046 CD2 HIS A 512 11.730 -0.262 -5.722 1.00 0.00 C flip ATOM 1047 CE1 HIS A 512 10.097 -0.228 -7.108 1.00 0.00 C flip ATOM 1048 NE2 HIS A 512 11.407 -0.117 -6.995 1.00 0.00 N flip ATOM 0 H HIS A 512 12.226 1.263 -2.274 1.00 0.00 H new ATOM 0 HA HIS A 512 9.399 1.061 -3.118 1.00 0.00 H new ATOM 0 HB2 HIS A 512 11.577 -1.058 -3.201 1.00 0.00 H new ATOM 0 HB3 HIS A 512 9.869 -1.451 -3.242 1.00 0.00 H new ATOM 0 HD2 HIS A 512 12.733 -0.220 -5.323 1.00 0.00 H new ATOM 0 HE1 HIS A 512 9.538 -0.155 -8.029 1.00 0.00 H new ATOM 0 HE2 HIS A 512 12.060 0.052 -7.760 1.00 0.00 H new ATOM 1057 N PHE A 513 8.768 -0.164 -0.966 1.00 0.00 N ATOM 1058 CA PHE A 513 8.371 -0.535 0.388 1.00 0.00 C ATOM 1059 C PHE A 513 8.115 -2.035 0.488 1.00 0.00 C ATOM 1060 O PHE A 513 7.526 -2.636 -0.410 1.00 0.00 O ATOM 1061 CB PHE A 513 7.119 0.238 0.806 1.00 0.00 C ATOM 1062 CG PHE A 513 7.342 1.718 0.934 1.00 0.00 C ATOM 1063 CD1 PHE A 513 7.857 2.255 2.103 1.00 0.00 C ATOM 1064 CD2 PHE A 513 7.038 2.571 -0.114 1.00 0.00 C ATOM 1065 CE1 PHE A 513 8.064 3.616 2.225 1.00 0.00 C ATOM 1066 CE2 PHE A 513 7.243 3.933 0.001 1.00 0.00 C ATOM 1067 CZ PHE A 513 7.757 4.456 1.172 1.00 0.00 C ATOM 0 H PHE A 513 8.022 -0.233 -1.658 1.00 0.00 H new ATOM 0 HA PHE A 513 9.188 -0.279 1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 513 6.331 0.060 0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.763 -0.151 1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 513 8.099 1.602 2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 513 6.636 2.167 -1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 513 8.465 4.022 3.142 1.00 0.00 H new ATOM 0 HE2 PHE A 513 7.002 4.588 -0.823 1.00 0.00 H new ATOM 0 HZ PHE A 513 7.919 5.520 1.264 1.00 0.00 H new ATOM 1077 N SER A 514 8.561 -2.634 1.588 1.00 0.00 N ATOM 1078 CA SER A 514 8.380 -4.064 1.806 1.00 0.00 C ATOM 1079 C SER A 514 8.146 -4.362 3.283 1.00 0.00 C ATOM 1080 O SER A 514 8.756 -3.742 4.155 1.00 0.00 O ATOM 1081 CB SER A 514 9.601 -4.837 1.305 1.00 0.00 C ATOM 1082 OG SER A 514 9.395 -6.235 1.401 1.00 0.00 O ATOM 0 H SER A 514 9.050 -2.151 2.342 1.00 0.00 H new ATOM 0 HA SER A 514 7.502 -4.384 1.245 1.00 0.00 H new ATOM 0 HB2 SER A 514 9.806 -4.567 0.269 1.00 0.00 H new ATOM 0 HB3 SER A 514 10.478 -4.555 1.888 1.00 0.00 H new ATOM 0 HG SER A 514 10.189 -6.706 1.073 1.00 0.00 H new ATOM 1088 N LEU A 515 7.260 -5.313 3.557 1.00 0.00 N ATOM 1089 CA LEU A 515 6.945 -5.691 4.930 1.00 0.00 C ATOM 1090 C LEU A 515 7.277 -7.159 5.180 1.00 0.00 C ATOM 1091 O LEU A 515 6.866 -8.037 4.421 1.00 0.00 O ATOM 1092 CB LEU A 515 5.467 -5.427 5.226 1.00 0.00 C ATOM 1093 CG LEU A 515 5.194 -4.671 6.530 1.00 0.00 C ATOM 1094 CD1 LEU A 515 4.454 -3.371 6.252 1.00 0.00 C ATOM 1095 CD2 LEU A 515 4.403 -5.540 7.497 1.00 0.00 C ATOM 0 H LEU A 515 6.747 -5.836 2.847 1.00 0.00 H new ATOM 0 HA LEU A 515 7.555 -5.083 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 515 5.042 -4.859 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 515 4.942 -6.382 5.260 1.00 0.00 H new ATOM 0 HG LEU A 515 6.151 -4.428 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 515 4.270 -2.849 7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 515 5.058 -2.741 5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 515 3.503 -3.590 5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 515 4.219 -4.986 8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 515 3.451 -5.816 7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 515 4.972 -6.442 7.724 1.00 0.00 H new ATOM 1107 N LYS A 516 8.021 -7.418 6.250 1.00 0.00 N ATOM 1108 CA LYS A 516 8.407 -8.780 6.601 1.00 0.00 C ATOM 1109 C LYS A 516 7.451 -9.366 7.635 1.00 0.00 C ATOM 1110 O LYS A 516 7.184 -8.751 8.667 1.00 0.00 O ATOM 1111 CB LYS A 516 9.838 -8.804 7.140 1.00 0.00 C ATOM 1112 CG LYS A 516 10.388 -10.206 7.346 1.00 0.00 C ATOM 1113 CD LYS A 516 10.742 -10.865 6.022 1.00 0.00 C ATOM 1114 CE LYS A 516 11.357 -12.240 6.231 1.00 0.00 C ATOM 1115 NZ LYS A 516 12.434 -12.523 5.243 1.00 0.00 N ATOM 0 H LYS A 516 8.369 -6.703 6.889 1.00 0.00 H new ATOM 0 HA LYS A 516 8.356 -9.390 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 516 10.487 -8.266 6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 516 9.869 -8.268 8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 516 11.274 -10.161 7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 516 9.651 -10.814 7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 516 9.846 -10.956 5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 516 11.441 -10.232 5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 516 11.764 -12.306 7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 516 10.581 -13.001 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 12.827 -13.469 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 12.041 -12.485 4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 13.187 -11.812 5.337 1.00 0.00 H new ATOM 1129 N GLU A 517 6.940 -10.559 7.351 1.00 0.00 N ATOM 1130 CA GLU A 517 6.014 -11.229 8.257 1.00 0.00 C ATOM 1131 C GLU A 517 6.368 -12.705 8.405 1.00 0.00 C ATOM 1132 O GLU A 517 6.058 -13.284 9.467 1.00 0.00 O ATOM 1133 CB GLU A 517 4.577 -11.086 7.749 1.00 0.00 C ATOM 1134 CG GLU A 517 3.535 -11.631 8.712 1.00 0.00 C ATOM 1135 CD GLU A 517 2.127 -11.566 8.150 1.00 0.00 C ATOM 1136 OE1 GLU A 517 1.969 -11.124 6.992 1.00 0.00 O ATOM 1137 OE2 GLU A 517 1.183 -11.957 8.868 1.00 0.00 O ATOM 1138 OXT GLU A 517 6.953 -13.270 7.456 1.00 0.00 O ATOM 0 H GLU A 517 7.151 -11.082 6.501 1.00 0.00 H new ATOM 0 HA GLU A 517 6.096 -10.755 9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 517 4.370 -10.033 7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 517 4.484 -11.605 6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 517 3.777 -12.666 8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 517 3.576 -11.066 9.643 1.00 0.00 H new TER 1145 GLU A 517