USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 395 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 462 SER OG : rot 35:sc= 0.203 USER MOD Single : A 466 SER OG : rot 95:sc= 1.19 USER MOD Single : A 469 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0876) USER MOD Single : A 470 SER OG : rot 83:sc= 0.72 USER MOD Single : A 471 SER OG : rot 77:sc= 1.28 USER MOD Single : A 478 LYS NZ :NH3+ -157:sc= 1.2 (180deg=-0.206) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl 152:sc= -0.0867 (180deg=-0.557) USER MOD Single : A 483 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 496 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00937) USER MOD Single : A 498 HIS : no HE2:sc= -0.0456 K(o=-0.046,f=-1.1) USER MOD Single : A 499 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.1) USER MOD Single : A 500 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -6.426 -0.339 7.537 1.00 1.77 N ATOM 2 CA SER A 462 -5.315 0.171 8.329 1.00 1.60 C ATOM 3 C SER A 462 -4.068 -0.700 8.195 1.00 1.25 C ATOM 4 O SER A 462 -2.953 -0.210 8.364 1.00 1.09 O ATOM 5 CB SER A 462 -5.730 0.256 9.796 1.00 1.97 C ATOM 6 OG SER A 462 -6.956 0.958 9.938 1.00 2.70 O ATOM 0 HA SER A 462 -5.065 1.163 7.952 1.00 1.60 H new ATOM 0 HB2 SER A 462 -5.832 -0.748 10.208 1.00 1.97 H new ATOM 0 HB3 SER A 462 -4.951 0.758 10.370 1.00 1.97 H new ATOM 0 HG SER A 462 -7.535 0.763 9.172 1.00 2.70 H new ATOM 14 N VAL A 463 -4.261 -1.982 7.893 1.00 1.25 N ATOM 15 CA VAL A 463 -3.145 -2.911 7.733 1.00 1.07 C ATOM 16 C VAL A 463 -2.187 -2.425 6.650 1.00 0.89 C ATOM 17 O VAL A 463 -1.070 -1.989 6.942 1.00 0.76 O ATOM 18 CB VAL A 463 -3.635 -4.336 7.378 1.00 1.28 C ATOM 19 CG1 VAL A 463 -2.465 -5.303 7.283 1.00 1.28 C ATOM 20 CG2 VAL A 463 -4.647 -4.826 8.405 1.00 1.50 C ATOM 0 H VAL A 463 -5.180 -2.401 7.754 1.00 1.25 H new ATOM 0 HA VAL A 463 -2.624 -2.950 8.689 1.00 1.07 H new ATOM 0 HB VAL A 463 -4.123 -4.293 6.404 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -2.834 -6.297 7.033 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -1.776 -4.966 6.508 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -1.945 -5.340 8.240 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -4.980 -5.829 8.138 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -4.183 -4.848 9.391 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -5.504 -4.152 8.422 1.00 1.50 H new ATOM 30 N ILE A 464 -2.636 -2.475 5.403 1.00 1.02 N ATOM 31 CA ILE A 464 -1.817 -2.031 4.286 1.00 1.02 C ATOM 32 C ILE A 464 -1.495 -0.541 4.407 1.00 0.88 C ATOM 33 O ILE A 464 -0.402 -0.108 4.035 1.00 0.84 O ATOM 34 CB ILE A 464 -2.496 -2.337 2.927 1.00 1.35 C ATOM 35 CG1 ILE A 464 -1.740 -1.653 1.778 1.00 1.81 C ATOM 36 CG2 ILE A 464 -3.963 -1.929 2.945 1.00 1.96 C ATOM 37 CD1 ILE A 464 -2.346 -1.892 0.412 1.00 2.72 C ATOM 0 H ILE A 464 -3.560 -2.818 5.141 1.00 1.02 H new ATOM 0 HA ILE A 464 -0.881 -2.589 4.321 1.00 1.02 H new ATOM 0 HB ILE A 464 -2.457 -3.414 2.761 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -1.707 -0.580 1.967 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -0.709 -2.007 1.774 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -4.415 -2.155 1.979 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -4.484 -2.480 3.728 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -4.041 -0.860 3.141 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -1.754 -1.376 -0.344 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -2.354 -2.961 0.199 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -3.367 -1.511 0.395 1.00 2.72 H new ATOM 49 N ARG A 465 -2.438 0.229 4.962 1.00 0.94 N ATOM 50 CA ARG A 465 -2.234 1.663 5.176 1.00 0.95 C ATOM 51 C ARG A 465 -0.958 1.914 5.972 1.00 0.83 C ATOM 52 O ARG A 465 -0.074 2.653 5.540 1.00 0.90 O ATOM 53 CB ARG A 465 -3.419 2.276 5.931 1.00 1.18 C ATOM 54 CG ARG A 465 -3.311 3.784 6.101 1.00 1.57 C ATOM 55 CD ARG A 465 -4.261 4.304 7.168 1.00 1.81 C ATOM 56 NE ARG A 465 -5.656 3.965 6.893 1.00 2.13 N ATOM 57 CZ ARG A 465 -6.646 4.855 6.890 1.00 2.61 C ATOM 58 NH1 ARG A 465 -6.389 6.142 7.097 1.00 2.88 N ATOM 59 NH2 ARG A 465 -7.892 4.459 6.677 1.00 3.37 N ATOM 0 H ARG A 465 -3.347 -0.117 5.270 1.00 0.94 H new ATOM 0 HA ARG A 465 -2.149 2.131 4.195 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -4.340 2.043 5.397 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -3.494 1.811 6.914 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -2.287 4.047 6.367 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -3.529 4.273 5.151 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -3.975 3.892 8.136 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -4.162 5.387 7.241 1.00 1.81 H new ATOM 0 HE ARG A 465 -5.884 2.991 6.692 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -5.431 6.451 7.259 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -7.150 6.821 7.094 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -8.093 3.472 6.515 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -8.651 5.141 6.675 1.00 3.37 H new ATOM 73 N SER A 466 -0.869 1.279 7.134 1.00 0.80 N ATOM 74 CA SER A 466 0.263 1.471 8.023 1.00 0.87 C ATOM 75 C SER A 466 1.533 0.894 7.412 1.00 0.85 C ATOM 76 O SER A 466 2.586 1.528 7.433 1.00 1.03 O ATOM 77 CB SER A 466 -0.017 0.811 9.376 1.00 0.96 C ATOM 78 OG SER A 466 -1.275 1.220 9.890 1.00 1.63 O ATOM 0 H SER A 466 -1.571 0.625 7.481 1.00 0.80 H new ATOM 0 HA SER A 466 0.409 2.541 8.170 1.00 0.87 H new ATOM 0 HB2 SER A 466 0.000 -0.273 9.266 1.00 0.96 H new ATOM 0 HB3 SER A 466 0.771 1.072 10.082 1.00 0.96 H new ATOM 0 HG SER A 466 -1.960 0.566 9.638 1.00 1.63 H new ATOM 84 N ILE A 467 1.421 -0.295 6.840 1.00 0.78 N ATOM 85 CA ILE A 467 2.585 -0.996 6.318 1.00 0.91 C ATOM 86 C ILE A 467 3.296 -0.203 5.217 1.00 0.96 C ATOM 87 O ILE A 467 4.506 0.030 5.307 1.00 1.18 O ATOM 88 CB ILE A 467 2.212 -2.405 5.809 1.00 1.02 C ATOM 89 CG1 ILE A 467 1.734 -3.263 6.985 1.00 1.14 C ATOM 90 CG2 ILE A 467 3.396 -3.062 5.102 1.00 1.24 C ATOM 91 CD1 ILE A 467 1.300 -4.654 6.588 1.00 1.59 C ATOM 0 H ILE A 467 0.539 -0.794 6.725 1.00 0.78 H new ATOM 0 HA ILE A 467 3.281 -1.100 7.150 1.00 0.91 H new ATOM 0 HB ILE A 467 1.405 -2.316 5.082 1.00 1.02 H new ATOM 0 HG12 ILE A 467 2.537 -3.338 7.718 1.00 1.14 H new ATOM 0 HG13 ILE A 467 0.901 -2.759 7.476 1.00 1.14 H new ATOM 0 HG21 ILE A 467 3.107 -4.053 4.753 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.696 -2.451 4.251 1.00 1.24 H new ATOM 0 HG23 ILE A 467 4.231 -3.151 5.797 1.00 1.24 H new ATOM 0 HD11 ILE A 467 0.975 -5.200 7.473 1.00 1.59 H new ATOM 0 HD12 ILE A 467 0.475 -4.589 5.879 1.00 1.59 H new ATOM 0 HD13 ILE A 467 2.136 -5.178 6.125 1.00 1.59 H new ATOM 103 N ILE A 468 2.564 0.241 4.196 1.00 0.87 N ATOM 104 CA ILE A 468 3.212 0.918 3.077 1.00 0.99 C ATOM 105 C ILE A 468 3.839 2.238 3.522 1.00 1.08 C ATOM 106 O ILE A 468 4.975 2.532 3.161 1.00 1.27 O ATOM 107 CB ILE A 468 2.279 1.128 1.850 1.00 1.02 C ATOM 108 CG1 ILE A 468 1.156 2.140 2.123 1.00 0.80 C ATOM 109 CG2 ILE A 468 1.696 -0.211 1.413 1.00 1.34 C ATOM 110 CD1 ILE A 468 0.151 2.241 0.994 1.00 1.65 C ATOM 0 H ILE A 468 1.551 0.148 4.121 1.00 0.87 H new ATOM 0 HA ILE A 468 4.004 0.249 2.740 1.00 0.99 H new ATOM 0 HB ILE A 468 2.886 1.547 1.047 1.00 1.02 H new ATOM 0 HG12 ILE A 468 0.636 1.857 3.038 1.00 0.80 H new ATOM 0 HG13 ILE A 468 1.596 3.122 2.297 1.00 0.80 H new ATOM 0 HG21 ILE A 468 1.043 -0.060 0.553 1.00 1.34 H new ATOM 0 HG22 ILE A 468 2.505 -0.888 1.140 1.00 1.34 H new ATOM 0 HG23 ILE A 468 1.122 -0.643 2.233 1.00 1.34 H new ATOM 0 HD11 ILE A 468 -0.614 2.973 1.252 1.00 1.65 H new ATOM 0 HD12 ILE A 468 0.659 2.554 0.082 1.00 1.65 H new ATOM 0 HD13 ILE A 468 -0.316 1.269 0.834 1.00 1.65 H new ATOM 122 N LYS A 469 3.140 3.000 4.363 1.00 1.04 N ATOM 123 CA LYS A 469 3.665 4.280 4.829 1.00 1.27 C ATOM 124 C LYS A 469 4.924 4.065 5.662 1.00 1.47 C ATOM 125 O LYS A 469 5.870 4.855 5.604 1.00 1.68 O ATOM 126 CB LYS A 469 2.614 5.047 5.638 1.00 1.35 C ATOM 127 CG LYS A 469 2.412 4.557 7.066 1.00 1.75 C ATOM 128 CD LYS A 469 1.507 5.490 7.852 1.00 1.96 C ATOM 129 CE LYS A 469 2.140 6.863 8.026 1.00 2.66 C ATOM 130 NZ LYS A 469 3.329 6.823 8.922 1.00 2.97 N ATOM 0 H LYS A 469 2.220 2.756 4.731 1.00 1.04 H new ATOM 0 HA LYS A 469 3.920 4.879 3.955 1.00 1.27 H new ATOM 0 HB2 LYS A 469 2.898 6.099 5.668 1.00 1.35 H new ATOM 0 HB3 LYS A 469 1.661 4.989 5.113 1.00 1.35 H new ATOM 0 HG2 LYS A 469 1.980 3.557 7.051 1.00 1.75 H new ATOM 0 HG3 LYS A 469 3.378 4.479 7.565 1.00 1.75 H new ATOM 0 HD2 LYS A 469 0.551 5.591 7.337 1.00 1.96 H new ATOM 0 HD3 LYS A 469 1.298 5.058 8.830 1.00 1.96 H new ATOM 0 HE2 LYS A 469 2.434 7.252 7.051 1.00 2.66 H new ATOM 0 HE3 LYS A 469 1.402 7.553 8.435 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 3.646 7.793 9.121 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 3.076 6.352 9.814 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 4.096 6.296 8.458 1.00 2.97 H new ATOM 144 N SER A 470 4.925 2.984 6.428 1.00 1.46 N ATOM 145 CA SER A 470 6.081 2.612 7.232 1.00 1.71 C ATOM 146 C SER A 470 7.190 2.023 6.365 1.00 1.82 C ATOM 147 O SER A 470 8.349 1.989 6.774 1.00 2.10 O ATOM 148 CB SER A 470 5.681 1.618 8.319 1.00 1.74 C ATOM 149 OG SER A 470 4.718 2.185 9.192 1.00 2.10 O ATOM 0 H SER A 470 4.134 2.346 6.510 1.00 1.46 H new ATOM 0 HA SER A 470 6.462 3.517 7.705 1.00 1.71 H new ATOM 0 HB2 SER A 470 5.276 0.715 7.861 1.00 1.74 H new ATOM 0 HB3 SER A 470 6.562 1.320 8.887 1.00 1.74 H new ATOM 0 HG SER A 470 3.825 2.090 8.800 1.00 2.10 H new ATOM 155 N SER A 471 6.839 1.566 5.167 1.00 1.68 N ATOM 156 CA SER A 471 7.831 1.026 4.254 1.00 1.90 C ATOM 157 C SER A 471 8.671 2.154 3.668 1.00 1.57 C ATOM 158 O SER A 471 8.148 3.081 3.042 1.00 1.83 O ATOM 159 CB SER A 471 7.154 0.213 3.151 1.00 2.65 C ATOM 160 OG SER A 471 6.451 -0.892 3.699 1.00 3.40 O ATOM 0 H SER A 471 5.883 1.560 4.811 1.00 1.68 H new ATOM 0 HA SER A 471 8.493 0.358 4.804 1.00 1.90 H new ATOM 0 HB2 SER A 471 6.465 0.849 2.595 1.00 2.65 H new ATOM 0 HB3 SER A 471 7.903 -0.142 2.443 1.00 2.65 H new ATOM 0 HG SER A 471 5.614 -0.580 4.103 1.00 3.40 H new ATOM 166 N ARG A 472 9.974 2.079 3.893 1.00 1.77 N ATOM 167 CA ARG A 472 10.881 3.138 3.491 1.00 1.99 C ATOM 168 C ARG A 472 11.832 2.653 2.406 1.00 1.90 C ATOM 169 O ARG A 472 12.984 2.309 2.672 1.00 2.38 O ATOM 170 CB ARG A 472 11.668 3.653 4.700 1.00 2.75 C ATOM 171 CG ARG A 472 10.784 4.174 5.822 1.00 3.26 C ATOM 172 CD ARG A 472 11.608 4.620 7.017 1.00 3.92 C ATOM 173 NE ARG A 472 10.770 5.033 8.141 1.00 4.22 N ATOM 174 CZ ARG A 472 11.240 5.301 9.361 1.00 4.90 C ATOM 175 NH1 ARG A 472 12.543 5.228 9.608 1.00 5.31 N ATOM 176 NH2 ARG A 472 10.412 5.649 10.337 1.00 5.50 N ATOM 0 H ARG A 472 10.427 1.290 4.355 1.00 1.77 H new ATOM 0 HA ARG A 472 10.290 3.958 3.084 1.00 1.99 H new ATOM 0 HB2 ARG A 472 12.294 2.848 5.085 1.00 2.75 H new ATOM 0 HB3 ARG A 472 12.337 4.450 4.375 1.00 2.75 H new ATOM 0 HG2 ARG A 472 10.187 5.010 5.458 1.00 3.26 H new ATOM 0 HG3 ARG A 472 10.087 3.394 6.130 1.00 3.26 H new ATOM 0 HD2 ARG A 472 12.259 3.805 7.332 1.00 3.92 H new ATOM 0 HD3 ARG A 472 12.253 5.448 6.723 1.00 3.92 H new ATOM 0 HE ARG A 472 9.766 5.122 7.984 1.00 4.22 H new ATOM 0 HH11 ARG A 472 13.189 4.966 8.864 1.00 5.31 H new ATOM 0 HH12 ARG A 472 12.897 5.434 10.542 1.00 5.31 H new ATOM 0 HH21 ARG A 472 9.410 5.713 10.157 1.00 5.50 H new ATOM 0 HH22 ARG A 472 10.777 5.853 11.267 1.00 5.50 H new ATOM 190 N LEU A 473 11.325 2.605 1.186 1.00 1.57 N ATOM 191 CA LEU A 473 12.135 2.267 0.026 1.00 1.68 C ATOM 192 C LEU A 473 11.757 3.171 -1.138 1.00 1.46 C ATOM 193 O LEU A 473 12.609 3.824 -1.733 1.00 2.00 O ATOM 194 CB LEU A 473 11.998 0.781 -0.368 1.00 2.11 C ATOM 195 CG LEU A 473 10.582 0.262 -0.668 1.00 1.80 C ATOM 196 CD1 LEU A 473 10.656 -1.003 -1.506 1.00 2.32 C ATOM 197 CD2 LEU A 473 9.822 -0.015 0.620 1.00 2.17 C ATOM 0 H LEU A 473 10.347 2.798 0.971 1.00 1.57 H new ATOM 0 HA LEU A 473 13.181 2.426 0.287 1.00 1.68 H new ATOM 0 HB2 LEU A 473 12.616 0.607 -1.249 1.00 2.11 H new ATOM 0 HB3 LEU A 473 12.415 0.178 0.438 1.00 2.11 H new ATOM 0 HG LEU A 473 10.048 1.032 -1.225 1.00 1.80 H new ATOM 0 HD11 LEU A 473 9.648 -1.362 -1.713 1.00 2.32 H new ATOM 0 HD12 LEU A 473 11.164 -0.788 -2.446 1.00 2.32 H new ATOM 0 HD13 LEU A 473 11.209 -1.768 -0.962 1.00 2.32 H new ATOM 0 HD21 LEU A 473 8.823 -0.381 0.382 1.00 2.17 H new ATOM 0 HD22 LEU A 473 10.355 -0.767 1.202 1.00 2.17 H new ATOM 0 HD23 LEU A 473 9.743 0.904 1.200 1.00 2.17 H new ATOM 209 N GLU A 474 10.471 3.216 -1.440 1.00 1.28 N ATOM 210 CA GLU A 474 9.947 4.112 -2.447 1.00 1.36 C ATOM 211 C GLU A 474 8.929 5.050 -1.818 1.00 1.06 C ATOM 212 O GLU A 474 7.738 4.744 -1.737 1.00 1.14 O ATOM 213 CB GLU A 474 9.344 3.314 -3.598 1.00 1.92 C ATOM 214 CG GLU A 474 8.644 2.032 -3.173 1.00 2.48 C ATOM 215 CD GLU A 474 8.299 1.152 -4.359 1.00 3.00 C ATOM 216 OE1 GLU A 474 9.203 0.891 -5.185 1.00 3.47 O ATOM 217 OE2 GLU A 474 7.127 0.745 -4.485 1.00 3.36 O ATOM 0 H GLU A 474 9.764 2.632 -0.993 1.00 1.28 H new ATOM 0 HA GLU A 474 10.756 4.717 -2.856 1.00 1.36 H new ATOM 0 HB2 GLU A 474 8.630 3.945 -4.127 1.00 1.92 H new ATOM 0 HB3 GLU A 474 10.135 3.065 -4.305 1.00 1.92 H new ATOM 0 HG2 GLU A 474 9.285 1.480 -2.486 1.00 2.48 H new ATOM 0 HG3 GLU A 474 7.733 2.280 -2.629 1.00 2.48 H new ATOM 224 N GLU A 475 9.422 6.193 -1.371 1.00 0.94 N ATOM 225 CA GLU A 475 8.633 7.139 -0.604 1.00 0.84 C ATOM 226 C GLU A 475 7.461 7.673 -1.413 1.00 0.73 C ATOM 227 O GLU A 475 6.329 7.716 -0.922 1.00 0.73 O ATOM 228 CB GLU A 475 9.524 8.284 -0.127 1.00 1.20 C ATOM 229 CG GLU A 475 10.681 7.814 0.740 1.00 1.66 C ATOM 230 CD GLU A 475 10.210 7.148 2.016 1.00 2.13 C ATOM 231 OE1 GLU A 475 9.803 5.967 1.969 1.00 2.79 O ATOM 232 OE2 GLU A 475 10.221 7.816 3.071 1.00 2.49 O ATOM 0 H GLU A 475 10.384 6.491 -1.531 1.00 0.94 H new ATOM 0 HA GLU A 475 8.221 6.620 0.261 1.00 0.84 H new ATOM 0 HB2 GLU A 475 9.919 8.815 -0.993 1.00 1.20 H new ATOM 0 HB3 GLU A 475 8.921 8.996 0.436 1.00 1.20 H new ATOM 0 HG2 GLU A 475 11.296 7.115 0.173 1.00 1.66 H new ATOM 0 HG3 GLU A 475 11.314 8.665 0.990 1.00 1.66 H new ATOM 239 N ASP A 476 7.717 8.056 -2.658 1.00 0.88 N ATOM 240 CA ASP A 476 6.655 8.599 -3.491 1.00 0.98 C ATOM 241 C ASP A 476 5.623 7.524 -3.796 1.00 0.85 C ATOM 242 O ASP A 476 4.433 7.807 -3.827 1.00 0.84 O ATOM 243 CB ASP A 476 7.185 9.208 -4.795 1.00 1.36 C ATOM 244 CG ASP A 476 7.628 8.171 -5.811 1.00 2.00 C ATOM 245 OD1 ASP A 476 6.790 7.745 -6.626 1.00 2.63 O ATOM 246 OD2 ASP A 476 8.817 7.787 -5.808 1.00 2.43 O ATOM 0 H ASP A 476 8.632 8.002 -3.105 1.00 0.88 H new ATOM 0 HA ASP A 476 6.186 9.405 -2.927 1.00 0.98 H new ATOM 0 HB2 ASP A 476 6.408 9.831 -5.238 1.00 1.36 H new ATOM 0 HB3 ASP A 476 8.026 9.863 -4.566 1.00 1.36 H new ATOM 251 N ARG A 477 6.080 6.290 -4.002 1.00 0.89 N ATOM 252 CA ARG A 477 5.179 5.176 -4.262 1.00 0.96 C ATOM 253 C ARG A 477 4.253 4.902 -3.083 1.00 0.80 C ATOM 254 O ARG A 477 3.050 4.772 -3.267 1.00 0.85 O ATOM 255 CB ARG A 477 5.966 3.918 -4.596 1.00 1.23 C ATOM 256 CG ARG A 477 5.687 3.390 -5.986 1.00 1.57 C ATOM 257 CD ARG A 477 6.964 3.300 -6.798 1.00 1.89 C ATOM 258 NE ARG A 477 7.639 4.588 -6.902 1.00 1.95 N ATOM 259 CZ ARG A 477 8.153 5.061 -8.037 1.00 2.54 C ATOM 260 NH1 ARG A 477 7.942 4.428 -9.188 1.00 2.96 N ATOM 261 NH2 ARG A 477 8.842 6.191 -8.031 1.00 2.98 N ATOM 0 H ARG A 477 7.069 6.040 -3.993 1.00 0.89 H new ATOM 0 HA ARG A 477 4.563 5.458 -5.116 1.00 0.96 H new ATOM 0 HB2 ARG A 477 7.031 4.128 -4.502 1.00 1.23 H new ATOM 0 HB3 ARG A 477 5.728 3.144 -3.866 1.00 1.23 H new ATOM 0 HG2 ARG A 477 5.224 2.406 -5.919 1.00 1.57 H new ATOM 0 HG3 ARG A 477 4.976 4.043 -6.491 1.00 1.57 H new ATOM 0 HD2 ARG A 477 7.636 2.575 -6.338 1.00 1.89 H new ATOM 0 HD3 ARG A 477 6.733 2.931 -7.797 1.00 1.89 H new ATOM 0 HE ARG A 477 7.722 5.158 -6.060 1.00 1.95 H new ATOM 0 HH11 ARG A 477 7.384 3.575 -9.206 1.00 2.96 H new ATOM 0 HH12 ARG A 477 8.339 4.796 -10.053 1.00 2.96 H new ATOM 0 HH21 ARG A 477 8.980 6.700 -7.158 1.00 2.98 H new ATOM 0 HH22 ARG A 477 9.235 6.553 -8.900 1.00 2.98 H new ATOM 275 N LYS A 478 4.802 4.819 -1.877 1.00 0.77 N ATOM 276 CA LYS A 478 3.991 4.496 -0.712 1.00 0.90 C ATOM 277 C LYS A 478 3.019 5.627 -0.383 1.00 0.74 C ATOM 278 O LYS A 478 1.879 5.381 0.004 1.00 0.80 O ATOM 279 CB LYS A 478 4.871 4.129 0.491 1.00 1.21 C ATOM 280 CG LYS A 478 5.873 5.187 0.932 1.00 1.27 C ATOM 281 CD LYS A 478 5.324 6.045 2.061 1.00 1.66 C ATOM 282 CE LYS A 478 6.413 6.878 2.715 1.00 1.97 C ATOM 283 NZ LYS A 478 7.469 6.028 3.330 1.00 2.30 N ATOM 0 H LYS A 478 5.792 4.969 -1.682 1.00 0.77 H new ATOM 0 HA LYS A 478 3.392 3.618 -0.953 1.00 0.90 H new ATOM 0 HB2 LYS A 478 4.221 3.899 1.335 1.00 1.21 H new ATOM 0 HB3 LYS A 478 5.417 3.217 0.251 1.00 1.21 H new ATOM 0 HG2 LYS A 478 6.794 4.703 1.257 1.00 1.27 H new ATOM 0 HG3 LYS A 478 6.129 5.822 0.084 1.00 1.27 H new ATOM 0 HD2 LYS A 478 4.546 6.703 1.673 1.00 1.66 H new ATOM 0 HD3 LYS A 478 4.856 5.405 2.810 1.00 1.66 H new ATOM 0 HE2 LYS A 478 6.864 7.535 1.971 1.00 1.97 H new ATOM 0 HE3 LYS A 478 5.971 7.518 3.479 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 7.960 6.567 4.072 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 7.033 5.181 3.748 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 8.153 5.741 2.600 1.00 2.30 H new ATOM 297 N ARG A 479 3.468 6.862 -0.557 1.00 0.71 N ATOM 298 CA ARG A 479 2.581 8.018 -0.426 1.00 0.86 C ATOM 299 C ARG A 479 1.516 7.999 -1.519 1.00 0.80 C ATOM 300 O ARG A 479 0.337 8.232 -1.255 1.00 0.90 O ATOM 301 CB ARG A 479 3.376 9.327 -0.480 1.00 1.09 C ATOM 302 CG ARG A 479 3.991 9.716 0.855 1.00 1.22 C ATOM 303 CD ARG A 479 2.913 10.096 1.857 1.00 1.88 C ATOM 304 NE ARG A 479 3.456 10.320 3.195 1.00 2.47 N ATOM 305 CZ ARG A 479 2.711 10.470 4.290 1.00 3.27 C ATOM 306 NH1 ARG A 479 1.384 10.510 4.204 1.00 3.65 N ATOM 307 NH2 ARG A 479 3.302 10.603 5.471 1.00 4.14 N ATOM 0 H ARG A 479 4.434 7.093 -0.788 1.00 0.71 H new ATOM 0 HA ARG A 479 2.088 7.959 0.544 1.00 0.86 H new ATOM 0 HB2 ARG A 479 4.168 9.232 -1.223 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.719 10.129 -0.816 1.00 1.09 H new ATOM 0 HG2 ARG A 479 4.579 8.885 1.245 1.00 1.22 H new ATOM 0 HG3 ARG A 479 4.675 10.553 0.715 1.00 1.22 H new ATOM 0 HD2 ARG A 479 2.406 10.999 1.517 1.00 1.88 H new ATOM 0 HD3 ARG A 479 2.164 9.306 1.899 1.00 1.88 H new ATOM 0 HE ARG A 479 4.470 10.364 3.298 1.00 2.47 H new ATOM 0 HH11 ARG A 479 0.929 10.426 3.295 1.00 3.65 H new ATOM 0 HH12 ARG A 479 0.822 10.625 5.047 1.00 3.65 H new ATOM 0 HH21 ARG A 479 4.320 10.590 5.536 1.00 4.14 H new ATOM 0 HH22 ARG A 479 2.738 10.718 6.313 1.00 4.14 H new ATOM 321 N TYR A 480 1.942 7.699 -2.737 1.00 0.83 N ATOM 322 CA TYR A 480 1.047 7.607 -3.885 1.00 1.03 C ATOM 323 C TYR A 480 -0.017 6.535 -3.658 1.00 0.82 C ATOM 324 O TYR A 480 -1.212 6.787 -3.808 1.00 0.82 O ATOM 325 CB TYR A 480 1.869 7.287 -5.137 1.00 1.44 C ATOM 326 CG TYR A 480 1.069 6.976 -6.384 1.00 1.81 C ATOM 327 CD1 TYR A 480 0.309 7.964 -7.002 1.00 2.09 C ATOM 328 CD2 TYR A 480 1.055 5.700 -6.933 1.00 2.00 C ATOM 329 CE1 TYR A 480 -0.441 7.690 -8.128 1.00 2.45 C ATOM 330 CE2 TYR A 480 0.310 5.420 -8.064 1.00 2.36 C ATOM 331 CZ TYR A 480 -0.366 6.394 -8.695 1.00 2.55 C ATOM 332 OH TYR A 480 -1.183 6.139 -9.778 1.00 2.93 O ATOM 0 H TYR A 480 2.920 7.512 -2.959 1.00 0.83 H new ATOM 0 HA TYR A 480 0.537 8.561 -4.018 1.00 1.03 H new ATOM 0 HB2 TYR A 480 2.521 8.134 -5.348 1.00 1.44 H new ATOM 0 HB3 TYR A 480 2.513 6.435 -4.919 1.00 1.44 H new ATOM 0 HD1 TYR A 480 0.306 8.964 -6.593 1.00 2.09 H new ATOM 0 HD2 TYR A 480 1.634 4.915 -6.470 1.00 2.00 H new ATOM 0 HE1 TYR A 480 -1.072 8.448 -8.568 1.00 2.45 H new ATOM 0 HE2 TYR A 480 0.271 4.409 -8.443 1.00 2.36 H new ATOM 0 HH TYR A 480 -1.044 5.218 -10.083 1.00 2.93 H new ATOM 342 N LEU A 481 0.428 5.352 -3.260 1.00 0.91 N ATOM 343 CA LEU A 481 -0.459 4.213 -3.101 1.00 1.15 C ATOM 344 C LEU A 481 -1.351 4.362 -1.873 1.00 1.03 C ATOM 345 O LEU A 481 -2.405 3.754 -1.809 1.00 1.19 O ATOM 346 CB LEU A 481 0.342 2.912 -3.013 1.00 1.66 C ATOM 347 CG LEU A 481 -0.497 1.630 -3.004 1.00 2.09 C ATOM 348 CD1 LEU A 481 -1.286 1.496 -4.297 1.00 2.68 C ATOM 349 CD2 LEU A 481 0.386 0.412 -2.788 1.00 2.73 C ATOM 0 H LEU A 481 1.405 5.157 -3.040 1.00 0.91 H new ATOM 0 HA LEU A 481 -1.101 4.176 -3.981 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.031 2.870 -3.856 1.00 1.66 H new ATOM 0 HB3 LEU A 481 0.948 2.937 -2.107 1.00 1.66 H new ATOM 0 HG LEU A 481 -1.204 1.691 -2.176 1.00 2.09 H new ATOM 0 HD11 LEU A 481 -1.875 0.579 -4.270 1.00 2.68 H new ATOM 0 HD12 LEU A 481 -1.952 2.352 -4.407 1.00 2.68 H new ATOM 0 HD13 LEU A 481 -0.598 1.461 -5.141 1.00 2.68 H new ATOM 0 HD21 LEU A 481 -0.229 -0.488 -2.785 1.00 2.73 H new ATOM 0 HD22 LEU A 481 1.119 0.347 -3.592 1.00 2.73 H new ATOM 0 HD23 LEU A 481 0.902 0.502 -1.832 1.00 2.73 H new ATOM 361 N MET A 482 -0.934 5.159 -0.899 1.00 1.05 N ATOM 362 CA MET A 482 -1.770 5.404 0.274 1.00 1.49 C ATOM 363 C MET A 482 -2.762 6.514 -0.017 1.00 1.39 C ATOM 364 O MET A 482 -3.846 6.561 0.567 1.00 1.65 O ATOM 365 CB MET A 482 -0.920 5.743 1.499 1.00 2.05 C ATOM 366 CG MET A 482 -1.702 5.725 2.804 1.00 3.10 C ATOM 367 SD MET A 482 -0.660 6.009 4.246 1.00 4.00 S ATOM 368 CE MET A 482 -0.057 7.658 3.902 1.00 4.93 C ATOM 0 H MET A 482 -0.036 5.642 -0.894 1.00 1.05 H new ATOM 0 HA MET A 482 -2.321 4.491 0.499 1.00 1.49 H new ATOM 0 HB2 MET A 482 -0.097 5.032 1.568 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.478 6.730 1.363 1.00 2.05 H new ATOM 0 HG2 MET A 482 -2.479 6.488 2.767 1.00 3.10 H new ATOM 0 HG3 MET A 482 -2.204 4.763 2.908 1.00 3.10 H new ATOM 0 HE1 MET A 482 0.165 8.167 4.840 1.00 4.93 H new ATOM 0 HE2 MET A 482 0.849 7.596 3.300 1.00 4.93 H new ATOM 0 HE3 MET A 482 -0.817 8.217 3.356 1.00 4.93 H new ATOM 378 N THR A 483 -2.403 7.401 -0.931 1.00 1.25 N ATOM 379 CA THR A 483 -3.354 8.365 -1.442 1.00 1.59 C ATOM 380 C THR A 483 -4.412 7.627 -2.255 1.00 1.32 C ATOM 381 O THR A 483 -5.589 7.978 -2.245 1.00 1.59 O ATOM 382 CB THR A 483 -2.670 9.442 -2.307 1.00 1.93 C ATOM 383 OG1 THR A 483 -1.584 10.034 -1.578 1.00 2.27 O ATOM 384 CG2 THR A 483 -3.658 10.528 -2.707 1.00 2.46 C ATOM 0 H THR A 483 -1.467 7.471 -1.329 1.00 1.25 H new ATOM 0 HA THR A 483 -3.817 8.878 -0.599 1.00 1.59 H new ATOM 0 HB THR A 483 -2.293 8.963 -3.211 1.00 1.93 H new ATOM 0 HG1 THR A 483 -0.776 9.493 -1.698 1.00 2.27 H new ATOM 0 HG21 THR A 483 -3.150 11.275 -3.317 1.00 2.46 H new ATOM 0 HG22 THR A 483 -4.473 10.085 -3.280 1.00 2.46 H new ATOM 0 HG23 THR A 483 -4.060 11.002 -1.812 1.00 2.46 H new ATOM 392 N LEU A 484 -3.972 6.574 -2.931 1.00 0.92 N ATOM 393 CA LEU A 484 -4.878 5.688 -3.647 1.00 0.90 C ATOM 394 C LEU A 484 -5.626 4.787 -2.670 1.00 0.84 C ATOM 395 O LEU A 484 -6.801 4.509 -2.860 1.00 0.91 O ATOM 396 CB LEU A 484 -4.119 4.829 -4.660 1.00 1.15 C ATOM 397 CG LEU A 484 -3.454 5.594 -5.802 1.00 1.69 C ATOM 398 CD1 LEU A 484 -2.782 4.625 -6.759 1.00 2.28 C ATOM 399 CD2 LEU A 484 -4.471 6.453 -6.536 1.00 2.20 C ATOM 0 H LEU A 484 -2.988 6.312 -2.998 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.595 6.309 -4.184 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -3.353 4.264 -4.129 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -4.812 4.104 -5.087 1.00 1.15 H new ATOM 0 HG LEU A 484 -2.694 6.253 -5.383 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -2.311 5.182 -7.569 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -2.024 4.052 -6.224 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -3.527 3.945 -7.171 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -3.977 6.990 -7.346 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -5.255 5.817 -6.947 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -4.911 7.169 -5.842 1.00 2.20 H new ATOM 411 N LEU A 485 -4.930 4.328 -1.631 1.00 1.02 N ATOM 412 CA LEU A 485 -5.527 3.472 -0.613 1.00 1.47 C ATOM 413 C LEU A 485 -6.672 4.179 0.084 1.00 1.75 C ATOM 414 O LEU A 485 -7.689 3.563 0.405 1.00 1.92 O ATOM 415 CB LEU A 485 -4.450 3.039 0.383 1.00 1.90 C ATOM 416 CG LEU A 485 -4.919 2.269 1.619 1.00 2.48 C ATOM 417 CD1 LEU A 485 -3.819 1.337 2.080 1.00 3.19 C ATOM 418 CD2 LEU A 485 -5.292 3.222 2.750 1.00 3.10 C ATOM 0 H LEU A 485 -3.944 4.538 -1.474 1.00 1.02 H new ATOM 0 HA LEU A 485 -5.940 2.583 -1.089 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -3.726 2.420 -0.148 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -3.921 3.931 0.719 1.00 1.90 H new ATOM 0 HG LEU A 485 -5.805 1.693 1.351 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -4.153 0.788 2.961 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -3.580 0.633 1.283 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -2.931 1.918 2.329 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -5.622 2.648 3.616 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -4.423 3.822 3.022 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -6.098 3.878 2.422 1.00 3.10 H new ATOM 430 N ASP A 486 -6.500 5.473 0.319 1.00 1.95 N ATOM 431 CA ASP A 486 -7.576 6.302 0.863 1.00 2.47 C ATOM 432 C ASP A 486 -8.833 6.185 0.000 1.00 2.33 C ATOM 433 O ASP A 486 -9.958 6.260 0.494 1.00 2.75 O ATOM 434 CB ASP A 486 -7.138 7.765 0.950 1.00 2.90 C ATOM 435 CG ASP A 486 -8.206 8.650 1.558 1.00 3.47 C ATOM 436 OD1 ASP A 486 -8.313 8.699 2.800 1.00 3.72 O ATOM 437 OD2 ASP A 486 -8.955 9.293 0.789 1.00 3.86 O ATOM 0 H ASP A 486 -5.629 5.974 0.143 1.00 1.95 H new ATOM 0 HA ASP A 486 -7.804 5.944 1.867 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -6.229 7.835 1.547 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -6.893 8.128 -0.048 1.00 2.90 H new ATOM 442 N ASP A 487 -8.627 5.970 -1.291 1.00 1.85 N ATOM 443 CA ASP A 487 -9.727 5.810 -2.232 1.00 1.83 C ATOM 444 C ASP A 487 -10.126 4.339 -2.358 1.00 1.35 C ATOM 445 O ASP A 487 -11.236 4.026 -2.789 1.00 1.40 O ATOM 446 CB ASP A 487 -9.327 6.359 -3.604 1.00 2.05 C ATOM 447 CG ASP A 487 -10.487 6.415 -4.577 1.00 2.41 C ATOM 448 OD1 ASP A 487 -11.255 7.401 -4.553 1.00 2.77 O ATOM 449 OD2 ASP A 487 -10.646 5.459 -5.368 1.00 2.59 O ATOM 0 H ASP A 487 -7.701 5.902 -1.714 1.00 1.85 H new ATOM 0 HA ASP A 487 -10.583 6.369 -1.855 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -8.912 7.360 -3.483 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -8.537 5.735 -4.023 1.00 2.05 H new ATOM 454 N ILE A 488 -9.223 3.441 -1.953 1.00 1.14 N ATOM 455 CA ILE A 488 -9.448 2.007 -2.099 1.00 1.13 C ATOM 456 C ILE A 488 -10.634 1.548 -1.256 1.00 1.43 C ATOM 457 O ILE A 488 -10.555 1.464 -0.026 1.00 2.27 O ATOM 458 CB ILE A 488 -8.197 1.165 -1.750 1.00 1.34 C ATOM 459 CG1 ILE A 488 -7.093 1.399 -2.787 1.00 1.21 C ATOM 460 CG2 ILE A 488 -8.554 -0.315 -1.683 1.00 1.77 C ATOM 461 CD1 ILE A 488 -5.841 0.584 -2.541 1.00 1.67 C ATOM 0 H ILE A 488 -8.331 3.685 -1.522 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.670 1.841 -3.153 1.00 1.13 H new ATOM 0 HB ILE A 488 -7.830 1.478 -0.772 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -7.481 1.161 -3.777 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.831 2.457 -2.793 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -7.664 -0.893 -1.437 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.312 -0.472 -0.916 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -8.942 -0.640 -2.648 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -5.106 0.804 -3.315 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -5.427 0.838 -1.565 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -6.087 -0.478 -2.565 1.00 1.67 H new ATOM 473 N LYS A 489 -11.729 1.264 -1.942 1.00 1.42 N ATOM 474 CA LYS A 489 -12.967 0.850 -1.305 1.00 1.75 C ATOM 475 C LYS A 489 -13.184 -0.647 -1.489 1.00 1.29 C ATOM 476 O LYS A 489 -14.314 -1.139 -1.439 1.00 1.88 O ATOM 477 CB LYS A 489 -14.136 1.643 -1.899 1.00 2.46 C ATOM 478 CG LYS A 489 -14.202 1.562 -3.415 1.00 3.04 C ATOM 479 CD LYS A 489 -15.184 2.564 -4.000 1.00 3.88 C ATOM 480 CE LYS A 489 -15.146 2.544 -5.519 1.00 4.70 C ATOM 481 NZ LYS A 489 -16.025 3.583 -6.120 1.00 5.28 N ATOM 0 H LYS A 489 -11.784 1.314 -2.959 1.00 1.42 H new ATOM 0 HA LYS A 489 -12.907 1.053 -0.236 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -15.071 1.270 -1.480 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -14.048 2.688 -1.600 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -13.211 1.742 -3.831 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -14.494 0.554 -3.711 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -16.192 2.334 -3.655 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -14.945 3.565 -3.640 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -14.121 2.699 -5.857 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -15.454 1.561 -5.875 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -15.966 3.530 -7.157 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -17.008 3.422 -5.821 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -15.717 4.524 -5.803 1.00 5.28 H new ATOM 495 N GLY A 490 -12.092 -1.365 -1.708 1.00 0.91 N ATOM 496 CA GLY A 490 -12.164 -2.798 -1.890 1.00 0.96 C ATOM 497 C GLY A 490 -11.183 -3.529 -0.999 1.00 0.67 C ATOM 498 O GLY A 490 -9.972 -3.346 -1.121 1.00 0.69 O ATOM 0 H GLY A 490 -11.151 -0.976 -1.763 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -13.176 -3.141 -1.674 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -11.960 -3.042 -2.932 1.00 0.96 H new ATOM 502 N ALA A 491 -11.703 -4.353 -0.098 1.00 0.70 N ATOM 503 CA ALA A 491 -10.873 -5.088 0.851 1.00 0.84 C ATOM 504 C ALA A 491 -9.956 -6.080 0.140 1.00 0.71 C ATOM 505 O ALA A 491 -8.782 -6.209 0.481 1.00 0.69 O ATOM 506 CB ALA A 491 -11.748 -5.810 1.861 1.00 1.22 C ATOM 0 H ALA A 491 -12.703 -4.531 -0.004 1.00 0.70 H new ATOM 0 HA ALA A 491 -10.243 -4.368 1.373 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -11.118 -6.355 2.564 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -12.353 -5.083 2.404 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.402 -6.510 1.341 1.00 1.22 H new ATOM 512 N ASN A 492 -10.496 -6.770 -0.854 1.00 0.73 N ATOM 513 CA ASN A 492 -9.719 -7.748 -1.608 1.00 0.78 C ATOM 514 C ASN A 492 -8.694 -7.041 -2.489 1.00 0.65 C ATOM 515 O ASN A 492 -7.587 -7.538 -2.702 1.00 0.67 O ATOM 516 CB ASN A 492 -10.649 -8.621 -2.458 1.00 1.00 C ATOM 517 CG ASN A 492 -9.904 -9.700 -3.222 1.00 1.61 C ATOM 518 OD1 ASN A 492 -9.660 -10.790 -2.702 1.00 2.38 O ATOM 519 ND2 ASN A 492 -9.567 -9.422 -4.471 1.00 2.19 N ATOM 0 H ASN A 492 -11.465 -6.673 -1.158 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.187 -8.391 -0.907 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -11.393 -9.087 -1.812 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -11.189 -7.989 -3.163 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -9.088 -10.122 -5.038 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -9.786 -8.508 -4.867 1.00 2.19 H new ATOM 526 N ASP A 493 -9.073 -5.866 -2.976 1.00 0.63 N ATOM 527 CA ASP A 493 -8.211 -5.056 -3.832 1.00 0.69 C ATOM 528 C ASP A 493 -6.964 -4.597 -3.080 1.00 0.62 C ATOM 529 O ASP A 493 -5.834 -4.833 -3.522 1.00 0.66 O ATOM 530 CB ASP A 493 -8.985 -3.845 -4.357 1.00 0.86 C ATOM 531 CG ASP A 493 -8.155 -2.975 -5.279 1.00 1.33 C ATOM 532 OD1 ASP A 493 -7.992 -3.341 -6.466 1.00 1.46 O ATOM 533 OD2 ASP A 493 -7.683 -1.913 -4.830 1.00 1.97 O ATOM 0 H ASP A 493 -9.984 -5.447 -2.790 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.891 -5.671 -4.674 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -9.872 -4.189 -4.889 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -9.331 -3.247 -3.514 1.00 0.86 H new ATOM 538 N LEU A 494 -7.165 -3.964 -1.927 1.00 0.61 N ATOM 539 CA LEU A 494 -6.045 -3.491 -1.121 1.00 0.69 C ATOM 540 C LEU A 494 -5.236 -4.665 -0.581 1.00 0.57 C ATOM 541 O LEU A 494 -4.041 -4.540 -0.325 1.00 0.56 O ATOM 542 CB LEU A 494 -6.525 -2.573 0.015 1.00 0.91 C ATOM 543 CG LEU A 494 -7.609 -3.136 0.941 1.00 1.15 C ATOM 544 CD1 LEU A 494 -7.013 -4.028 2.017 1.00 1.74 C ATOM 545 CD2 LEU A 494 -8.402 -2.002 1.570 1.00 1.77 C ATOM 0 H LEU A 494 -8.085 -3.768 -1.533 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.392 -2.900 -1.763 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -5.662 -2.305 0.624 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -6.901 -1.651 -0.428 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.281 -3.748 0.339 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -7.810 -4.410 2.655 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -6.491 -4.863 1.550 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -6.310 -3.452 2.619 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -9.169 -2.414 2.226 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -7.732 -1.367 2.150 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -8.875 -1.410 0.786 1.00 1.77 H new ATOM 557 N ALA A 495 -5.889 -5.809 -0.419 1.00 0.56 N ATOM 558 CA ALA A 495 -5.197 -7.019 -0.008 1.00 0.59 C ATOM 559 C ALA A 495 -4.216 -7.448 -1.094 1.00 0.55 C ATOM 560 O ALA A 495 -3.097 -7.875 -0.802 1.00 0.58 O ATOM 561 CB ALA A 495 -6.190 -8.132 0.285 1.00 0.68 C ATOM 0 H ALA A 495 -6.892 -5.922 -0.566 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.642 -6.813 0.907 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.651 -9.029 0.591 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -6.860 -7.820 1.086 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -6.771 -8.346 -0.612 1.00 0.68 H new ATOM 567 N LYS A 496 -4.644 -7.307 -2.348 1.00 0.59 N ATOM 568 CA LYS A 496 -3.795 -7.603 -3.493 1.00 0.68 C ATOM 569 C LYS A 496 -2.594 -6.664 -3.498 1.00 0.63 C ATOM 570 O LYS A 496 -1.456 -7.119 -3.550 1.00 0.65 O ATOM 571 CB LYS A 496 -4.593 -7.481 -4.805 1.00 0.85 C ATOM 572 CG LYS A 496 -3.924 -8.123 -6.024 1.00 1.29 C ATOM 573 CD LYS A 496 -2.727 -7.324 -6.528 1.00 1.77 C ATOM 574 CE LYS A 496 -3.146 -5.969 -7.079 1.00 2.53 C ATOM 575 NZ LYS A 496 -3.820 -6.087 -8.400 1.00 2.98 N ATOM 0 H LYS A 496 -5.581 -6.987 -2.594 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.437 -8.630 -3.415 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.572 -7.938 -4.662 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -4.762 -6.425 -5.015 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -3.600 -9.131 -5.766 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -4.656 -8.219 -6.826 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -2.016 -7.182 -5.714 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -2.213 -7.890 -7.305 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -3.818 -5.482 -6.372 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -2.268 -5.330 -7.176 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -4.028 -5.137 -8.770 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -3.196 -6.589 -9.064 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -4.708 -6.618 -8.291 1.00 2.98 H new ATOM 589 N PHE A 497 -2.850 -5.356 -3.423 1.00 0.64 N ATOM 590 CA PHE A 497 -1.767 -4.361 -3.400 1.00 0.70 C ATOM 591 C PHE A 497 -0.854 -4.563 -2.193 1.00 0.62 C ATOM 592 O PHE A 497 0.339 -4.260 -2.239 1.00 0.67 O ATOM 593 CB PHE A 497 -2.331 -2.939 -3.382 1.00 0.84 C ATOM 594 CG PHE A 497 -2.874 -2.489 -4.707 1.00 0.98 C ATOM 595 CD1 PHE A 497 -2.023 -2.129 -5.739 1.00 1.34 C ATOM 596 CD2 PHE A 497 -4.242 -2.432 -4.921 1.00 1.27 C ATOM 597 CE1 PHE A 497 -2.526 -1.719 -6.958 1.00 1.67 C ATOM 598 CE2 PHE A 497 -4.751 -2.021 -6.139 1.00 1.72 C ATOM 599 CZ PHE A 497 -3.870 -1.645 -7.160 1.00 1.82 C ATOM 0 H PHE A 497 -3.789 -4.960 -3.377 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.181 -4.500 -4.309 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -3.124 -2.881 -2.636 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.547 -2.250 -3.068 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -0.954 -2.169 -5.589 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -4.918 -2.712 -4.127 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -1.848 -1.455 -7.757 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -5.818 -1.990 -6.301 1.00 1.72 H new ATOM 0 HZ PHE A 497 -4.256 -1.297 -8.107 1.00 1.82 H new ATOM 609 N HIS A 498 -1.424 -5.098 -1.125 1.00 0.57 N ATOM 610 CA HIS A 498 -0.686 -5.355 0.102 1.00 0.62 C ATOM 611 C HIS A 498 0.308 -6.477 -0.127 1.00 0.54 C ATOM 612 O HIS A 498 1.518 -6.291 0.020 1.00 0.56 O ATOM 613 CB HIS A 498 -1.648 -5.719 1.244 1.00 0.75 C ATOM 614 CG HIS A 498 -0.968 -6.275 2.459 1.00 1.03 C ATOM 615 ND1 HIS A 498 -1.145 -7.572 2.885 1.00 1.62 N ATOM 616 CD2 HIS A 498 -0.097 -5.712 3.330 1.00 1.49 C ATOM 617 CE1 HIS A 498 -0.416 -7.783 3.961 1.00 1.85 C ATOM 618 NE2 HIS A 498 0.233 -6.674 4.253 1.00 1.69 N ATOM 0 H HIS A 498 -2.407 -5.366 -1.084 1.00 0.57 H new ATOM 0 HA HIS A 498 -0.146 -4.451 0.386 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -2.210 -4.830 1.530 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -2.370 -6.449 0.878 1.00 0.75 H new ATOM 0 HD1 HIS A 498 -1.747 -8.262 2.437 1.00 1.62 H new ATOM 0 HD2 HIS A 498 0.270 -4.696 3.304 1.00 1.49 H new ATOM 0 HE1 HIS A 498 -0.359 -8.710 4.512 1.00 1.85 H new ATOM 627 N GLN A 499 -0.215 -7.635 -0.513 1.00 0.54 N ATOM 628 CA GLN A 499 0.616 -8.793 -0.778 1.00 0.60 C ATOM 629 C GLN A 499 1.582 -8.474 -1.907 1.00 0.53 C ATOM 630 O GLN A 499 2.681 -9.015 -1.970 1.00 0.54 O ATOM 631 CB GLN A 499 -0.253 -9.997 -1.149 1.00 0.77 C ATOM 632 CG GLN A 499 0.461 -11.332 -1.019 1.00 1.43 C ATOM 633 CD GLN A 499 0.850 -11.634 0.415 1.00 2.00 C ATOM 634 OE1 GLN A 499 0.189 -11.190 1.354 1.00 2.63 O ATOM 635 NE2 GLN A 499 1.907 -12.401 0.599 1.00 2.58 N ATOM 0 H GLN A 499 -1.214 -7.792 -0.648 1.00 0.54 H new ATOM 0 HA GLN A 499 1.182 -9.041 0.120 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -1.137 -10.005 -0.512 1.00 0.77 H new ATOM 0 HB3 GLN A 499 -0.601 -9.880 -2.175 1.00 0.77 H new ATOM 0 HG2 GLN A 499 -0.185 -12.126 -1.394 1.00 1.43 H new ATOM 0 HG3 GLN A 499 1.355 -11.327 -1.643 1.00 1.43 H new ATOM 0 HE21 GLN A 499 2.430 -12.750 -0.204 1.00 2.58 H new ATOM 0 HE22 GLN A 499 2.202 -12.645 1.545 1.00 2.58 H new ATOM 644 N MET A 500 1.163 -7.559 -2.773 1.00 0.54 N ATOM 645 CA MET A 500 1.963 -7.151 -3.911 1.00 0.63 C ATOM 646 C MET A 500 3.300 -6.583 -3.451 1.00 0.57 C ATOM 647 O MET A 500 4.359 -7.134 -3.763 1.00 0.58 O ATOM 648 CB MET A 500 1.209 -6.116 -4.754 1.00 0.80 C ATOM 649 CG MET A 500 1.881 -5.795 -6.079 1.00 1.26 C ATOM 650 SD MET A 500 0.943 -4.601 -7.053 1.00 1.91 S ATOM 651 CE MET A 500 1.891 -4.588 -8.573 1.00 2.52 C ATOM 0 H MET A 500 0.263 -7.084 -2.703 1.00 0.54 H new ATOM 0 HA MET A 500 2.154 -8.030 -4.527 1.00 0.63 H new ATOM 0 HB2 MET A 500 0.202 -6.484 -4.948 1.00 0.80 H new ATOM 0 HB3 MET A 500 1.107 -5.197 -4.177 1.00 0.80 H new ATOM 0 HG2 MET A 500 2.880 -5.402 -5.891 1.00 1.26 H new ATOM 0 HG3 MET A 500 2.003 -6.713 -6.654 1.00 1.26 H new ATOM 0 HE1 MET A 500 1.436 -3.894 -9.280 1.00 2.52 H new ATOM 0 HE2 MET A 500 2.913 -4.272 -8.362 1.00 2.52 H new ATOM 0 HE3 MET A 500 1.902 -5.589 -9.003 1.00 2.52 H new ATOM 661 N LEU A 501 3.255 -5.500 -2.679 1.00 0.59 N ATOM 662 CA LEU A 501 4.482 -4.869 -2.214 1.00 0.65 C ATOM 663 C LEU A 501 5.217 -5.773 -1.233 1.00 0.56 C ATOM 664 O LEU A 501 6.436 -5.711 -1.130 1.00 0.62 O ATOM 665 CB LEU A 501 4.219 -3.501 -1.579 1.00 0.85 C ATOM 666 CG LEU A 501 3.549 -2.472 -2.491 1.00 1.30 C ATOM 667 CD1 LEU A 501 3.394 -1.145 -1.766 1.00 2.09 C ATOM 668 CD2 LEU A 501 4.354 -2.290 -3.769 1.00 1.91 C ATOM 0 H LEU A 501 2.395 -5.048 -2.367 1.00 0.59 H new ATOM 0 HA LEU A 501 5.112 -4.711 -3.090 1.00 0.65 H new ATOM 0 HB2 LEU A 501 3.593 -3.643 -0.698 1.00 0.85 H new ATOM 0 HB3 LEU A 501 5.168 -3.091 -1.233 1.00 0.85 H new ATOM 0 HG LEU A 501 2.558 -2.838 -2.758 1.00 1.30 H new ATOM 0 HD11 LEU A 501 2.916 -0.423 -2.428 1.00 2.09 H new ATOM 0 HD12 LEU A 501 2.779 -1.286 -0.877 1.00 2.09 H new ATOM 0 HD13 LEU A 501 4.376 -0.774 -1.473 1.00 2.09 H new ATOM 0 HD21 LEU A 501 3.863 -1.555 -4.406 1.00 1.91 H new ATOM 0 HD22 LEU A 501 5.357 -1.943 -3.521 1.00 1.91 H new ATOM 0 HD23 LEU A 501 4.419 -3.242 -4.297 1.00 1.91 H new ATOM 680 N VAL A 502 4.477 -6.619 -0.518 1.00 0.53 N ATOM 681 CA VAL A 502 5.104 -7.619 0.345 1.00 0.64 C ATOM 682 C VAL A 502 6.009 -8.532 -0.481 1.00 0.61 C ATOM 683 O VAL A 502 7.143 -8.817 -0.094 1.00 0.73 O ATOM 684 CB VAL A 502 4.059 -8.472 1.100 1.00 0.86 C ATOM 685 CG1 VAL A 502 4.721 -9.634 1.830 1.00 1.11 C ATOM 686 CG2 VAL A 502 3.283 -7.611 2.084 1.00 1.02 C ATOM 0 H VAL A 502 3.457 -6.633 -0.518 1.00 0.53 H new ATOM 0 HA VAL A 502 5.696 -7.082 1.086 1.00 0.64 H new ATOM 0 HB VAL A 502 3.367 -8.882 0.364 1.00 0.86 H new ATOM 0 HG11 VAL A 502 3.961 -10.216 2.352 1.00 1.11 H new ATOM 0 HG12 VAL A 502 5.235 -10.271 1.110 1.00 1.11 H new ATOM 0 HG13 VAL A 502 5.441 -9.248 2.551 1.00 1.11 H new ATOM 0 HG21 VAL A 502 2.551 -8.226 2.608 1.00 1.02 H new ATOM 0 HG22 VAL A 502 3.972 -7.173 2.806 1.00 1.02 H new ATOM 0 HG23 VAL A 502 2.769 -6.816 1.545 1.00 1.02 H new ATOM 696 N LYS A 503 5.509 -8.957 -1.635 1.00 0.58 N ATOM 697 CA LYS A 503 6.275 -9.795 -2.547 1.00 0.71 C ATOM 698 C LYS A 503 7.425 -9.007 -3.168 1.00 0.69 C ATOM 699 O LYS A 503 8.449 -9.576 -3.538 1.00 0.84 O ATOM 700 CB LYS A 503 5.367 -10.351 -3.644 1.00 0.88 C ATOM 701 CG LYS A 503 4.287 -11.286 -3.125 1.00 1.35 C ATOM 702 CD LYS A 503 3.271 -11.623 -4.204 1.00 1.44 C ATOM 703 CE LYS A 503 3.902 -12.408 -5.342 1.00 2.04 C ATOM 704 NZ LYS A 503 2.950 -12.610 -6.463 1.00 2.54 N ATOM 0 H LYS A 503 4.569 -8.733 -1.962 1.00 0.58 H new ATOM 0 HA LYS A 503 6.693 -10.626 -1.979 1.00 0.71 H new ATOM 0 HB2 LYS A 503 4.895 -9.520 -4.169 1.00 0.88 H new ATOM 0 HB3 LYS A 503 5.977 -10.884 -4.374 1.00 0.88 H new ATOM 0 HG2 LYS A 503 4.746 -12.204 -2.757 1.00 1.35 H new ATOM 0 HG3 LYS A 503 3.780 -10.822 -2.279 1.00 1.35 H new ATOM 0 HD2 LYS A 503 2.457 -12.203 -3.769 1.00 1.44 H new ATOM 0 HD3 LYS A 503 2.835 -10.703 -4.594 1.00 1.44 H new ATOM 0 HE2 LYS A 503 4.784 -11.879 -5.704 1.00 2.04 H new ATOM 0 HE3 LYS A 503 4.240 -13.376 -4.973 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 3.415 -13.149 -7.221 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 2.120 -13.136 -6.123 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 2.647 -11.686 -6.832 1.00 2.54 H new ATOM 718 N ILE A 504 7.240 -7.698 -3.311 1.00 0.62 N ATOM 719 CA ILE A 504 8.320 -6.827 -3.772 1.00 0.73 C ATOM 720 C ILE A 504 9.450 -6.776 -2.738 1.00 0.73 C ATOM 721 O ILE A 504 10.632 -6.840 -3.091 1.00 0.85 O ATOM 722 CB ILE A 504 7.814 -5.392 -4.101 1.00 0.87 C ATOM 723 CG1 ILE A 504 7.400 -5.285 -5.576 1.00 1.30 C ATOM 724 CG2 ILE A 504 8.871 -4.339 -3.786 1.00 1.34 C ATOM 725 CD1 ILE A 504 6.244 -6.179 -5.970 1.00 1.75 C ATOM 0 H ILE A 504 6.361 -7.219 -3.117 1.00 0.62 H new ATOM 0 HA ILE A 504 8.708 -7.254 -4.697 1.00 0.73 H new ATOM 0 HB ILE A 504 6.945 -5.204 -3.471 1.00 0.87 H new ATOM 0 HG12 ILE A 504 7.132 -4.250 -5.791 1.00 1.30 H new ATOM 0 HG13 ILE A 504 8.260 -5.528 -6.200 1.00 1.30 H new ATOM 0 HG21 ILE A 504 8.483 -3.350 -4.028 1.00 1.34 H new ATOM 0 HG22 ILE A 504 9.122 -4.381 -2.726 1.00 1.34 H new ATOM 0 HG23 ILE A 504 9.765 -4.533 -4.378 1.00 1.34 H new ATOM 0 HD11 ILE A 504 6.019 -6.039 -7.027 1.00 1.75 H new ATOM 0 HD12 ILE A 504 6.512 -7.220 -5.791 1.00 1.75 H new ATOM 0 HD13 ILE A 504 5.367 -5.923 -5.376 1.00 1.75 H new ATOM 737 N ILE A 505 9.078 -6.689 -1.466 1.00 0.71 N ATOM 738 CA ILE A 505 10.049 -6.598 -0.381 1.00 0.85 C ATOM 739 C ILE A 505 10.747 -7.935 -0.163 1.00 0.97 C ATOM 740 O ILE A 505 11.944 -8.077 -0.414 1.00 1.20 O ATOM 741 CB ILE A 505 9.384 -6.164 0.950 1.00 1.10 C ATOM 742 CG1 ILE A 505 8.661 -4.823 0.791 1.00 1.49 C ATOM 743 CG2 ILE A 505 10.420 -6.073 2.064 1.00 1.83 C ATOM 744 CD1 ILE A 505 9.573 -3.684 0.398 1.00 2.19 C ATOM 745 OXT ILE A 505 10.046 -8.891 0.248 1.00 1.58 O ATOM 0 H ILE A 505 8.105 -6.680 -1.159 1.00 0.71 H new ATOM 0 HA ILE A 505 10.778 -5.843 -0.676 1.00 0.85 H new ATOM 0 HB ILE A 505 8.648 -6.922 1.218 1.00 1.10 H new ATOM 0 HG12 ILE A 505 7.880 -4.928 0.038 1.00 1.49 H new ATOM 0 HG13 ILE A 505 8.166 -4.573 1.730 1.00 1.49 H new ATOM 0 HG21 ILE A 505 9.933 -5.767 2.990 1.00 1.83 H new ATOM 0 HG22 ILE A 505 10.889 -7.047 2.205 1.00 1.83 H new ATOM 0 HG23 ILE A 505 11.180 -5.340 1.795 1.00 1.83 H new ATOM 0 HD11 ILE A 505 8.991 -2.767 0.304 1.00 2.19 H new ATOM 0 HD12 ILE A 505 10.339 -3.551 1.162 1.00 2.19 H new ATOM 0 HD13 ILE A 505 10.048 -3.911 -0.556 1.00 2.19 H new