USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=10 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 34:sc= 0.198 USER MOD Single : A 466 SER OG : rot 81:sc= 1.23 USER MOD Single : A 469 LYS NZ :NH3+ -161:sc= -0.0483 (180deg=-0.378) USER MOD Single : A 470 SER OG : rot -76:sc= 1.22 USER MOD Single : A 471 SER OG : rot -40:sc= 0.833 USER MOD Single : A 478 LYS NZ :NH3+ -175:sc= 1.3 (180deg=1.19) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl 132:sc= -0.357 (180deg=-1.54) USER MOD Single : A 483 THR OG1 : rot 72:sc= 1.28 USER MOD Single : A 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 ASN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 496 LYS NZ :NH3+ -158:sc= -0.127 (180deg=-0.544) USER MOD Single : A 498 HIS : no HD1:sc= -0.555 X(o=-0.56,f=-0.069) USER MOD Single : A 499 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.36) 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 -6.154 0.868 6.567 1.00 1.77 N ATOM 2 CA SER A 462 -5.102 1.248 7.497 1.00 1.60 C ATOM 3 C SER A 462 -3.898 0.312 7.381 1.00 1.25 C ATOM 4 O SER A 462 -2.760 0.717 7.634 1.00 1.09 O ATOM 5 CB SER A 462 -5.652 1.230 8.921 1.00 1.97 C ATOM 6 OG SER A 462 -6.849 1.987 9.007 1.00 2.70 O ATOM 0 HA SER A 462 -4.765 2.255 7.249 1.00 1.60 H new ATOM 0 HB2 SER A 462 -5.843 0.202 9.229 1.00 1.97 H new ATOM 0 HB3 SER A 462 -4.909 1.636 9.608 1.00 1.97 H new ATOM 0 HG SER A 462 -7.350 1.903 8.169 1.00 2.70 H new ATOM 14 N VAL A 463 -4.159 -0.937 6.989 1.00 1.25 N ATOM 15 CA VAL A 463 -3.096 -1.902 6.736 1.00 1.07 C ATOM 16 C VAL A 463 -2.131 -1.365 5.684 1.00 0.89 C ATOM 17 O VAL A 463 -0.945 -1.204 5.952 1.00 0.76 O ATOM 18 CB VAL A 463 -3.655 -3.268 6.270 1.00 1.28 C ATOM 19 CG1 VAL A 463 -2.523 -4.230 5.930 1.00 1.28 C ATOM 20 CG2 VAL A 463 -4.564 -3.865 7.335 1.00 1.50 C ATOM 0 H VAL A 463 -5.100 -1.301 6.841 1.00 1.25 H new ATOM 0 HA VAL A 463 -2.569 -2.054 7.678 1.00 1.07 H new ATOM 0 HB VAL A 463 -4.243 -3.104 5.367 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -2.941 -5.183 5.605 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -1.915 -3.808 5.129 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -1.902 -4.388 6.812 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -4.947 -4.825 6.990 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -3.999 -4.010 8.256 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -5.397 -3.188 7.523 1.00 1.50 H new ATOM 30 N ILE A 464 -2.656 -1.052 4.502 1.00 1.02 N ATOM 31 CA ILE A 464 -1.837 -0.541 3.404 1.00 1.02 C ATOM 32 C ILE A 464 -1.168 0.771 3.798 1.00 0.88 C ATOM 33 O ILE A 464 0.016 0.990 3.516 1.00 0.84 O ATOM 34 CB ILE A 464 -2.678 -0.326 2.121 1.00 1.35 C ATOM 35 CG1 ILE A 464 -3.240 -1.658 1.614 1.00 1.81 C ATOM 36 CG2 ILE A 464 -1.853 0.353 1.033 1.00 1.96 C ATOM 37 CD1 ILE A 464 -2.176 -2.671 1.253 1.00 2.72 C ATOM 0 H ILE A 464 -3.647 -1.143 4.279 1.00 1.02 H new ATOM 0 HA ILE A 464 -1.072 -1.289 3.195 1.00 1.02 H new ATOM 0 HB ILE A 464 -3.512 0.329 2.372 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -3.889 -2.083 2.380 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -3.862 -1.470 0.739 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -2.468 0.492 0.144 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -1.508 1.323 1.390 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -0.993 -0.270 0.786 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -2.650 -3.588 0.903 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -1.541 -2.267 0.465 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -1.569 -2.890 2.131 1.00 2.72 H new ATOM 49 N ARG A 465 -1.931 1.624 4.474 1.00 0.94 N ATOM 50 CA ARG A 465 -1.436 2.916 4.935 1.00 0.95 C ATOM 51 C ARG A 465 -0.194 2.738 5.811 1.00 0.83 C ATOM 52 O ARG A 465 0.765 3.499 5.713 1.00 0.90 O ATOM 53 CB ARG A 465 -2.534 3.640 5.721 1.00 1.18 C ATOM 54 CG ARG A 465 -2.217 5.097 6.020 1.00 1.57 C ATOM 55 CD ARG A 465 -3.295 5.737 6.878 1.00 1.81 C ATOM 56 NE ARG A 465 -3.300 5.195 8.235 1.00 2.13 N ATOM 57 CZ ARG A 465 -4.271 5.398 9.121 1.00 2.61 C ATOM 58 NH1 ARG A 465 -5.351 6.095 8.786 1.00 2.88 N ATOM 59 NH2 ARG A 465 -4.160 4.894 10.343 1.00 3.37 N ATOM 0 H ARG A 465 -2.905 1.441 4.717 1.00 0.94 H new ATOM 0 HA ARG A 465 -1.160 3.514 4.066 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -3.465 3.589 5.157 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -2.702 3.114 6.661 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -1.257 5.164 6.531 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -2.120 5.649 5.085 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -3.136 6.815 6.917 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -4.270 5.575 6.418 1.00 1.81 H new ATOM 0 HE ARG A 465 -2.506 4.623 8.522 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -5.439 6.478 7.845 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -6.092 6.247 9.470 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -3.333 4.354 10.599 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -4.901 5.046 11.027 1.00 3.37 H new ATOM 73 N SER A 466 -0.218 1.714 6.654 1.00 0.80 N ATOM 74 CA SER A 466 0.908 1.420 7.529 1.00 0.87 C ATOM 75 C SER A 466 2.023 0.717 6.758 1.00 0.85 C ATOM 76 O SER A 466 3.210 0.961 7.002 1.00 1.03 O ATOM 77 CB SER A 466 0.442 0.548 8.698 1.00 0.96 C ATOM 78 OG SER A 466 -0.710 1.104 9.312 1.00 1.63 O ATOM 0 H SER A 466 -1.006 1.073 6.750 1.00 0.80 H new ATOM 0 HA SER A 466 1.302 2.359 7.917 1.00 0.87 H new ATOM 0 HB2 SER A 466 0.220 -0.458 8.342 1.00 0.96 H new ATOM 0 HB3 SER A 466 1.243 0.457 9.432 1.00 0.96 H new ATOM 0 HG SER A 466 -1.505 0.872 8.787 1.00 1.63 H new ATOM 84 N ILE A 467 1.636 -0.140 5.816 1.00 0.78 N ATOM 85 CA ILE A 467 2.596 -0.907 5.030 1.00 0.91 C ATOM 86 C ILE A 467 3.554 0.004 4.281 1.00 0.96 C ATOM 87 O ILE A 467 4.768 -0.128 4.424 1.00 1.18 O ATOM 88 CB ILE A 467 1.902 -1.874 4.037 1.00 1.02 C ATOM 89 CG1 ILE A 467 1.166 -2.980 4.799 1.00 1.14 C ATOM 90 CG2 ILE A 467 2.908 -2.480 3.063 1.00 1.24 C ATOM 91 CD1 ILE A 467 2.059 -3.783 5.724 1.00 1.59 C ATOM 0 H ILE A 467 0.660 -0.320 5.579 1.00 0.78 H new ATOM 0 HA ILE A 467 3.164 -1.507 5.741 1.00 0.91 H new ATOM 0 HB ILE A 467 1.177 -1.301 3.459 1.00 1.02 H new ATOM 0 HG12 ILE A 467 0.362 -2.533 5.383 1.00 1.14 H new ATOM 0 HG13 ILE A 467 0.701 -3.656 4.081 1.00 1.14 H new ATOM 0 HG21 ILE A 467 2.392 -3.154 2.379 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.389 -1.684 2.494 1.00 1.24 H new ATOM 0 HG23 ILE A 467 3.663 -3.036 3.619 1.00 1.24 H new ATOM 0 HD11 ILE A 467 1.467 -4.547 6.229 1.00 1.59 H new ATOM 0 HD12 ILE A 467 2.849 -4.260 5.144 1.00 1.59 H new ATOM 0 HD13 ILE A 467 2.504 -3.120 6.466 1.00 1.59 H new ATOM 103 N ILE A 468 3.032 0.949 3.501 1.00 0.87 N ATOM 104 CA ILE A 468 3.917 1.827 2.749 1.00 0.99 C ATOM 105 C ILE A 468 4.764 2.682 3.681 1.00 1.08 C ATOM 106 O ILE A 468 5.969 2.791 3.486 1.00 1.27 O ATOM 107 CB ILE A 468 3.203 2.712 1.692 1.00 1.02 C ATOM 108 CG1 ILE A 468 1.876 3.299 2.196 1.00 0.80 C ATOM 109 CG2 ILE A 468 2.973 1.920 0.415 1.00 1.34 C ATOM 110 CD1 ILE A 468 2.019 4.557 3.024 1.00 1.65 C ATOM 0 H ILE A 468 2.034 1.121 3.377 1.00 0.87 H new ATOM 0 HA ILE A 468 4.564 1.158 2.182 1.00 0.99 H new ATOM 0 HB ILE A 468 3.864 3.555 1.491 1.00 1.02 H new ATOM 0 HG12 ILE A 468 1.240 3.515 1.338 1.00 0.80 H new ATOM 0 HG13 ILE A 468 1.363 2.544 2.791 1.00 0.80 H new ATOM 0 HG21 ILE A 468 2.472 2.551 -0.319 1.00 1.34 H new ATOM 0 HG22 ILE A 468 3.931 1.589 0.015 1.00 1.34 H new ATOM 0 HG23 ILE A 468 2.351 1.052 0.632 1.00 1.34 H new ATOM 0 HD11 ILE A 468 1.033 4.901 3.337 1.00 1.65 H new ATOM 0 HD12 ILE A 468 2.626 4.346 3.904 1.00 1.65 H new ATOM 0 HD13 ILE A 468 2.501 5.332 2.428 1.00 1.65 H new ATOM 122 N LYS A 469 4.156 3.231 4.726 1.00 1.04 N ATOM 123 CA LYS A 469 4.882 4.084 5.659 1.00 1.27 C ATOM 124 C LYS A 469 6.071 3.345 6.270 1.00 1.47 C ATOM 125 O LYS A 469 7.133 3.930 6.481 1.00 1.68 O ATOM 126 CB LYS A 469 3.953 4.605 6.759 1.00 1.35 C ATOM 127 CG LYS A 469 3.037 5.720 6.290 1.00 1.75 C ATOM 128 CD LYS A 469 2.166 6.246 7.418 1.00 1.96 C ATOM 129 CE LYS A 469 1.404 7.487 6.987 1.00 2.66 C ATOM 130 NZ LYS A 469 2.320 8.624 6.696 1.00 2.97 N ATOM 0 H LYS A 469 3.169 3.102 4.948 1.00 1.04 H new ATOM 0 HA LYS A 469 5.264 4.937 5.099 1.00 1.27 H new ATOM 0 HB2 LYS A 469 3.348 3.780 7.135 1.00 1.35 H new ATOM 0 HB3 LYS A 469 4.555 4.965 7.593 1.00 1.35 H new ATOM 0 HG2 LYS A 469 3.635 6.535 5.882 1.00 1.75 H new ATOM 0 HG3 LYS A 469 2.404 5.354 5.482 1.00 1.75 H new ATOM 0 HD2 LYS A 469 1.463 5.473 7.729 1.00 1.96 H new ATOM 0 HD3 LYS A 469 2.787 6.479 8.283 1.00 1.96 H new ATOM 0 HE2 LYS A 469 0.812 7.261 6.100 1.00 2.66 H new ATOM 0 HE3 LYS A 469 0.705 7.775 7.772 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 1.786 9.516 6.722 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 3.076 8.652 7.410 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 2.740 8.499 5.753 1.00 2.97 H new ATOM 144 N SER A 470 5.902 2.052 6.520 1.00 1.46 N ATOM 145 CA SER A 470 6.974 1.254 7.092 1.00 1.71 C ATOM 146 C SER A 470 7.826 0.586 6.008 1.00 1.82 C ATOM 147 O SER A 470 8.909 0.071 6.300 1.00 2.10 O ATOM 148 CB SER A 470 6.401 0.206 8.049 1.00 1.74 C ATOM 149 OG SER A 470 5.403 -0.582 7.419 1.00 2.10 O ATOM 0 H SER A 470 5.040 1.539 6.337 1.00 1.46 H new ATOM 0 HA SER A 470 7.626 1.925 7.651 1.00 1.71 H new ATOM 0 HB2 SER A 470 7.203 -0.439 8.407 1.00 1.74 H new ATOM 0 HB3 SER A 470 5.977 0.702 8.922 1.00 1.74 H new ATOM 0 HG SER A 470 4.573 -0.065 7.351 1.00 2.10 H new ATOM 155 N SER A 471 7.357 0.603 4.759 1.00 1.68 N ATOM 156 CA SER A 471 8.088 -0.042 3.672 1.00 1.90 C ATOM 157 C SER A 471 9.369 0.725 3.355 1.00 1.57 C ATOM 158 O SER A 471 9.500 1.902 3.694 1.00 1.83 O ATOM 159 CB SER A 471 7.218 -0.159 2.412 1.00 2.65 C ATOM 160 OG SER A 471 6.995 1.106 1.814 1.00 3.40 O ATOM 0 H SER A 471 6.485 1.051 4.479 1.00 1.68 H new ATOM 0 HA SER A 471 8.352 -1.047 4.001 1.00 1.90 H new ATOM 0 HB2 SER A 471 7.703 -0.821 1.694 1.00 2.65 H new ATOM 0 HB3 SER A 471 6.262 -0.614 2.670 1.00 2.65 H new ATOM 0 HG SER A 471 6.837 1.775 2.513 1.00 3.40 H new ATOM 166 N ARG A 472 10.306 0.054 2.704 1.00 1.77 N ATOM 167 CA ARG A 472 11.591 0.657 2.384 1.00 1.99 C ATOM 168 C ARG A 472 11.737 0.835 0.876 1.00 1.90 C ATOM 169 O ARG A 472 12.685 0.335 0.271 1.00 2.38 O ATOM 170 CB ARG A 472 12.726 -0.215 2.923 1.00 2.75 C ATOM 171 CG ARG A 472 12.687 -0.410 4.431 1.00 3.26 C ATOM 172 CD ARG A 472 13.784 -1.353 4.900 1.00 3.92 C ATOM 173 NE ARG A 472 15.120 -0.826 4.638 1.00 4.22 N ATOM 174 CZ ARG A 472 16.233 -1.342 5.159 1.00 4.90 C ATOM 175 NH1 ARG A 472 16.166 -2.392 5.971 1.00 5.31 N ATOM 176 NH2 ARG A 472 17.414 -0.809 4.873 1.00 5.50 N ATOM 0 H ARG A 472 10.201 -0.910 2.386 1.00 1.77 H new ATOM 0 HA ARG A 472 11.642 1.639 2.855 1.00 1.99 H new ATOM 0 HB2 ARG A 472 12.684 -1.191 2.439 1.00 2.75 H new ATOM 0 HB3 ARG A 472 13.680 0.236 2.649 1.00 2.75 H new ATOM 0 HG2 ARG A 472 12.798 0.554 4.927 1.00 3.26 H new ATOM 0 HG3 ARG A 472 11.715 -0.808 4.722 1.00 3.26 H new ATOM 0 HD2 ARG A 472 13.671 -1.534 5.969 1.00 3.92 H new ATOM 0 HD3 ARG A 472 13.671 -2.315 4.400 1.00 3.92 H new ATOM 0 HE ARG A 472 15.207 -0.018 4.022 1.00 4.22 H new ATOM 0 HH11 ARG A 472 15.261 -2.805 6.197 1.00 5.31 H new ATOM 0 HH12 ARG A 472 17.019 -2.785 6.368 1.00 5.31 H new ATOM 0 HH21 ARG A 472 17.472 -0.002 4.252 1.00 5.50 H new ATOM 0 HH22 ARG A 472 18.264 -1.207 5.274 1.00 5.50 H new ATOM 190 N LEU A 473 10.787 1.532 0.268 1.00 1.57 N ATOM 191 CA LEU A 473 10.812 1.745 -1.176 1.00 1.68 C ATOM 192 C LEU A 473 11.135 3.198 -1.483 1.00 1.46 C ATOM 193 O LEU A 473 12.242 3.540 -1.899 1.00 2.00 O ATOM 194 CB LEU A 473 9.456 1.411 -1.821 1.00 2.11 C ATOM 195 CG LEU A 473 8.589 0.393 -1.085 1.00 1.80 C ATOM 196 CD1 LEU A 473 7.247 0.244 -1.785 1.00 2.32 C ATOM 197 CD2 LEU A 473 9.293 -0.955 -0.998 1.00 2.17 C ATOM 0 H LEU A 473 9.993 1.958 0.747 1.00 1.57 H new ATOM 0 HA LEU A 473 11.576 1.084 -1.586 1.00 1.68 H new ATOM 0 HB2 LEU A 473 8.888 2.336 -1.921 1.00 2.11 H new ATOM 0 HB3 LEU A 473 9.639 1.039 -2.829 1.00 2.11 H new ATOM 0 HG LEU A 473 8.420 0.755 -0.071 1.00 1.80 H new ATOM 0 HD11 LEU A 473 6.637 -0.485 -1.251 1.00 2.32 H new ATOM 0 HD12 LEU A 473 6.735 1.206 -1.798 1.00 2.32 H new ATOM 0 HD13 LEU A 473 7.406 -0.096 -2.808 1.00 2.32 H new ATOM 0 HD21 LEU A 473 8.656 -1.665 -0.469 1.00 2.17 H new ATOM 0 HD22 LEU A 473 9.494 -1.326 -2.003 1.00 2.17 H new ATOM 0 HD23 LEU A 473 10.234 -0.840 -0.459 1.00 2.17 H new ATOM 209 N GLU A 474 10.146 4.041 -1.240 1.00 1.28 N ATOM 210 CA GLU A 474 10.201 5.447 -1.594 1.00 1.36 C ATOM 211 C GLU A 474 9.076 6.147 -0.852 1.00 1.06 C ATOM 212 O GLU A 474 7.979 5.604 -0.758 1.00 1.14 O ATOM 213 CB GLU A 474 10.000 5.585 -3.098 1.00 1.92 C ATOM 214 CG GLU A 474 10.616 6.831 -3.709 1.00 2.48 C ATOM 215 CD GLU A 474 9.748 8.053 -3.543 1.00 3.00 C ATOM 216 OE1 GLU A 474 8.780 8.199 -4.316 1.00 3.36 O ATOM 217 OE2 GLU A 474 10.029 8.871 -2.647 1.00 3.47 O ATOM 0 H GLU A 474 9.275 3.765 -0.787 1.00 1.28 H new ATOM 0 HA GLU A 474 11.161 5.887 -1.326 1.00 1.36 H new ATOM 0 HB2 GLU A 474 10.423 4.709 -3.589 1.00 1.92 H new ATOM 0 HB3 GLU A 474 8.931 5.584 -3.310 1.00 1.92 H new ATOM 0 HG2 GLU A 474 11.586 7.015 -3.248 1.00 2.48 H new ATOM 0 HG3 GLU A 474 10.795 6.659 -4.770 1.00 2.48 H new ATOM 224 N GLU A 475 9.330 7.342 -0.338 1.00 0.94 N ATOM 225 CA GLU A 475 8.391 7.968 0.578 1.00 0.84 C ATOM 226 C GLU A 475 7.295 8.722 -0.164 1.00 0.73 C ATOM 227 O GLU A 475 6.137 8.742 0.275 1.00 0.73 O ATOM 228 CB GLU A 475 9.121 8.881 1.555 1.00 1.20 C ATOM 229 CG GLU A 475 8.393 9.021 2.876 1.00 1.66 C ATOM 230 CD GLU A 475 7.384 10.146 2.878 1.00 2.13 C ATOM 231 OE1 GLU A 475 7.756 11.297 2.563 1.00 2.49 O ATOM 232 OE2 GLU A 475 6.208 9.887 3.203 1.00 2.79 O ATOM 0 H GLU A 475 10.167 7.890 -0.537 1.00 0.94 H new ATOM 0 HA GLU A 475 7.906 7.175 1.147 1.00 0.84 H new ATOM 0 HB2 GLU A 475 10.122 8.488 1.736 1.00 1.20 H new ATOM 0 HB3 GLU A 475 9.242 9.866 1.105 1.00 1.20 H new ATOM 0 HG2 GLU A 475 7.885 8.084 3.106 1.00 1.66 H new ATOM 0 HG3 GLU A 475 9.121 9.192 3.669 1.00 1.66 H new ATOM 239 N ASP A 476 7.636 9.333 -1.291 1.00 0.88 N ATOM 240 CA ASP A 476 6.612 9.946 -2.122 1.00 0.98 C ATOM 241 C ASP A 476 5.720 8.851 -2.660 1.00 0.85 C ATOM 242 O ASP A 476 4.507 9.002 -2.732 1.00 0.84 O ATOM 243 CB ASP A 476 7.203 10.755 -3.281 1.00 1.36 C ATOM 244 CG ASP A 476 7.912 12.013 -2.825 1.00 2.00 C ATOM 245 OD1 ASP A 476 7.232 12.947 -2.352 1.00 2.63 O ATOM 246 OD2 ASP A 476 9.158 12.081 -2.935 1.00 2.43 O ATOM 0 H ASP A 476 8.590 9.416 -1.643 1.00 0.88 H new ATOM 0 HA ASP A 476 6.045 10.647 -1.509 1.00 0.98 H new ATOM 0 HB2 ASP A 476 7.904 10.129 -3.833 1.00 1.36 H new ATOM 0 HB3 ASP A 476 6.405 11.025 -3.972 1.00 1.36 H new ATOM 251 N ARG A 477 6.348 7.737 -3.025 1.00 0.89 N ATOM 252 CA ARG A 477 5.631 6.534 -3.402 1.00 0.96 C ATOM 253 C ARG A 477 4.720 6.068 -2.280 1.00 0.80 C ATOM 254 O ARG A 477 3.602 5.637 -2.535 1.00 0.85 O ATOM 255 CB ARG A 477 6.612 5.424 -3.750 1.00 1.23 C ATOM 256 CG ARG A 477 6.267 4.706 -5.035 1.00 1.57 C ATOM 257 CD ARG A 477 6.167 5.687 -6.191 1.00 1.89 C ATOM 258 NE ARG A 477 7.253 6.664 -6.177 1.00 1.95 N ATOM 259 CZ ARG A 477 7.885 7.094 -7.267 1.00 2.54 C ATOM 260 NH1 ARG A 477 7.579 6.603 -8.464 1.00 2.96 N ATOM 261 NH2 ARG A 477 8.831 8.015 -7.150 1.00 2.98 N ATOM 0 H ARG A 477 7.363 7.648 -3.066 1.00 0.89 H new ATOM 0 HA ARG A 477 5.020 6.768 -4.274 1.00 0.96 H new ATOM 0 HB2 ARG A 477 7.613 5.846 -3.835 1.00 1.23 H new ATOM 0 HB3 ARG A 477 6.638 4.702 -2.934 1.00 1.23 H new ATOM 0 HG2 ARG A 477 7.027 3.956 -5.253 1.00 1.57 H new ATOM 0 HG3 ARG A 477 5.321 4.177 -4.918 1.00 1.57 H new ATOM 0 HD2 ARG A 477 6.184 5.139 -7.133 1.00 1.89 H new ATOM 0 HD3 ARG A 477 5.211 6.208 -6.143 1.00 1.89 H new ATOM 0 HE ARG A 477 7.545 7.040 -5.275 1.00 1.95 H new ATOM 0 HH11 ARG A 477 6.854 5.891 -8.553 1.00 2.96 H new ATOM 0 HH12 ARG A 477 8.069 6.939 -9.293 1.00 2.96 H new ATOM 0 HH21 ARG A 477 9.069 8.388 -6.231 1.00 2.98 H new ATOM 0 HH22 ARG A 477 9.321 8.351 -7.979 1.00 2.98 H new ATOM 275 N LYS A 478 5.210 6.128 -1.042 1.00 0.77 N ATOM 276 CA LYS A 478 4.388 5.798 0.115 1.00 0.90 C ATOM 277 C LYS A 478 3.087 6.581 0.077 1.00 0.74 C ATOM 278 O LYS A 478 2.004 6.005 0.074 1.00 0.80 O ATOM 279 CB LYS A 478 5.104 6.101 1.439 1.00 1.21 C ATOM 280 CG LYS A 478 6.373 5.307 1.673 1.00 1.27 C ATOM 281 CD LYS A 478 7.000 5.649 3.020 1.00 1.66 C ATOM 282 CE LYS A 478 8.301 4.896 3.235 1.00 1.97 C ATOM 283 NZ LYS A 478 8.836 5.084 4.611 1.00 2.30 N ATOM 0 H LYS A 478 6.167 6.401 -0.818 1.00 0.77 H new ATOM 0 HA LYS A 478 4.190 4.727 0.066 1.00 0.90 H new ATOM 0 HB2 LYS A 478 5.346 7.163 1.470 1.00 1.21 H new ATOM 0 HB3 LYS A 478 4.415 5.907 2.261 1.00 1.21 H new ATOM 0 HG2 LYS A 478 6.150 4.241 1.634 1.00 1.27 H new ATOM 0 HG3 LYS A 478 7.086 5.513 0.875 1.00 1.27 H new ATOM 0 HD2 LYS A 478 7.186 6.722 3.074 1.00 1.66 H new ATOM 0 HD3 LYS A 478 6.301 5.406 3.820 1.00 1.66 H new ATOM 0 HE2 LYS A 478 8.139 3.834 3.051 1.00 1.97 H new ATOM 0 HE3 LYS A 478 9.040 5.236 2.510 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 9.765 4.623 4.688 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 8.936 6.100 4.809 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 8.181 4.660 5.299 1.00 2.30 H new ATOM 297 N ARG A 479 3.206 7.898 0.037 1.00 0.71 N ATOM 298 CA ARG A 479 2.035 8.771 0.016 1.00 0.86 C ATOM 299 C ARG A 479 1.221 8.591 -1.267 1.00 0.80 C ATOM 300 O ARG A 479 -0.011 8.648 -1.246 1.00 0.90 O ATOM 301 CB ARG A 479 2.463 10.227 0.178 1.00 1.09 C ATOM 302 CG ARG A 479 2.764 10.611 1.618 1.00 1.22 C ATOM 303 CD ARG A 479 3.468 11.954 1.696 1.00 1.88 C ATOM 304 NE ARG A 479 4.899 11.835 1.425 1.00 2.47 N ATOM 305 CZ ARG A 479 5.516 12.372 0.375 1.00 3.27 C ATOM 306 NH1 ARG A 479 4.834 13.022 -0.557 1.00 3.65 N ATOM 307 NH2 ARG A 479 6.826 12.249 0.256 1.00 4.14 N ATOM 0 H ARG A 479 4.100 8.390 0.018 1.00 0.71 H new ATOM 0 HA ARG A 479 1.394 8.493 0.853 1.00 0.86 H new ATOM 0 HB2 ARG A 479 3.349 10.408 -0.431 1.00 1.09 H new ATOM 0 HB3 ARG A 479 1.675 10.875 -0.206 1.00 1.09 H new ATOM 0 HG2 ARG A 479 1.835 10.651 2.187 1.00 1.22 H new ATOM 0 HG3 ARG A 479 3.387 9.844 2.078 1.00 1.22 H new ATOM 0 HD2 ARG A 479 3.019 12.642 0.980 1.00 1.88 H new ATOM 0 HD3 ARG A 479 3.321 12.384 2.687 1.00 1.88 H new ATOM 0 HE ARG A 479 5.465 11.303 2.087 1.00 2.47 H new ATOM 0 HH11 ARG A 479 3.822 13.116 -0.476 1.00 3.65 H new ATOM 0 HH12 ARG A 479 5.321 13.428 -1.356 1.00 3.65 H new ATOM 0 HH21 ARG A 479 7.358 11.745 0.966 1.00 4.14 H new ATOM 0 HH22 ARG A 479 7.306 12.658 -0.546 1.00 4.14 H new ATOM 321 N TYR A 480 1.920 8.371 -2.370 1.00 0.83 N ATOM 322 CA TYR A 480 1.296 8.147 -3.670 1.00 1.03 C ATOM 323 C TYR A 480 0.402 6.907 -3.633 1.00 0.82 C ATOM 324 O TYR A 480 -0.803 6.972 -3.912 1.00 0.82 O ATOM 325 CB TYR A 480 2.396 7.984 -4.725 1.00 1.44 C ATOM 326 CG TYR A 480 1.908 7.822 -6.148 1.00 1.81 C ATOM 327 CD1 TYR A 480 1.344 8.890 -6.832 1.00 2.09 C ATOM 328 CD2 TYR A 480 2.042 6.612 -6.817 1.00 2.00 C ATOM 329 CE1 TYR A 480 0.925 8.756 -8.142 1.00 2.45 C ATOM 330 CE2 TYR A 480 1.621 6.469 -8.126 1.00 2.36 C ATOM 331 CZ TYR A 480 1.065 7.546 -8.783 1.00 2.55 C ATOM 332 OH TYR A 480 0.656 7.418 -10.090 1.00 2.93 O ATOM 0 H TYR A 480 2.939 8.342 -2.391 1.00 0.83 H new ATOM 0 HA TYR A 480 0.669 9.002 -3.924 1.00 1.03 H new ATOM 0 HB2 TYR A 480 3.052 8.854 -4.680 1.00 1.44 H new ATOM 0 HB3 TYR A 480 3.001 7.115 -4.465 1.00 1.44 H new ATOM 0 HD1 TYR A 480 1.231 9.841 -6.332 1.00 2.09 H new ATOM 0 HD2 TYR A 480 2.483 5.769 -6.306 1.00 2.00 H new ATOM 0 HE1 TYR A 480 0.489 9.597 -8.661 1.00 2.45 H new ATOM 0 HE2 TYR A 480 1.727 5.520 -8.631 1.00 2.36 H new ATOM 0 HH TYR A 480 0.824 6.503 -10.397 1.00 2.93 H new ATOM 342 N LEU A 481 1.001 5.781 -3.264 1.00 0.91 N ATOM 343 CA LEU A 481 0.293 4.511 -3.209 1.00 1.15 C ATOM 344 C LEU A 481 -0.783 4.541 -2.133 1.00 1.03 C ATOM 345 O LEU A 481 -1.842 3.955 -2.298 1.00 1.19 O ATOM 346 CB LEU A 481 1.272 3.360 -2.948 1.00 1.66 C ATOM 347 CG LEU A 481 2.339 3.154 -4.026 1.00 2.09 C ATOM 348 CD1 LEU A 481 3.270 2.013 -3.643 1.00 2.68 C ATOM 349 CD2 LEU A 481 1.693 2.884 -5.378 1.00 2.73 C ATOM 0 H LEU A 481 1.984 5.724 -2.997 1.00 0.91 H new ATOM 0 HA LEU A 481 -0.187 4.348 -4.174 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.771 3.538 -1.995 1.00 1.66 H new ATOM 0 HB3 LEU A 481 0.702 2.437 -2.842 1.00 1.66 H new ATOM 0 HG LEU A 481 2.927 4.069 -4.104 1.00 2.09 H new ATOM 0 HD11 LEU A 481 4.022 1.881 -4.421 1.00 2.68 H new ATOM 0 HD12 LEU A 481 3.762 2.246 -2.698 1.00 2.68 H new ATOM 0 HD13 LEU A 481 2.694 1.094 -3.535 1.00 2.68 H new ATOM 0 HD21 LEU A 481 2.469 2.741 -6.130 1.00 2.73 H new ATOM 0 HD22 LEU A 481 1.079 1.986 -5.315 1.00 2.73 H new ATOM 0 HD23 LEU A 481 1.068 3.732 -5.659 1.00 2.73 H new ATOM 361 N MET A 482 -0.513 5.229 -1.034 1.00 1.05 N ATOM 362 CA MET A 482 -1.504 5.387 0.025 1.00 1.49 C ATOM 363 C MET A 482 -2.761 6.050 -0.523 1.00 1.39 C ATOM 364 O MET A 482 -3.872 5.556 -0.334 1.00 1.65 O ATOM 365 CB MET A 482 -0.931 6.228 1.168 1.00 2.05 C ATOM 366 CG MET A 482 -1.890 6.425 2.330 1.00 3.10 C ATOM 367 SD MET A 482 -1.247 7.572 3.566 1.00 4.00 S ATOM 368 CE MET A 482 -1.112 9.075 2.596 1.00 4.93 C ATOM 0 H MET A 482 0.380 5.686 -0.850 1.00 1.05 H new ATOM 0 HA MET A 482 -1.761 4.399 0.407 1.00 1.49 H new ATOM 0 HB2 MET A 482 -0.023 5.751 1.536 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.643 7.204 0.778 1.00 2.05 H new ATOM 0 HG2 MET A 482 -2.842 6.798 1.953 1.00 3.10 H new ATOM 0 HG3 MET A 482 -2.089 5.462 2.801 1.00 3.10 H new ATOM 0 HE1 MET A 482 -1.559 9.904 3.145 1.00 4.93 H new ATOM 0 HE2 MET A 482 -0.061 9.291 2.404 1.00 4.93 H new ATOM 0 HE3 MET A 482 -1.634 8.945 1.648 1.00 4.93 H new ATOM 378 N THR A 483 -2.567 7.153 -1.235 1.00 1.25 N ATOM 379 CA THR A 483 -3.669 7.913 -1.800 1.00 1.59 C ATOM 380 C THR A 483 -4.425 7.094 -2.847 1.00 1.32 C ATOM 381 O THR A 483 -5.641 7.214 -2.986 1.00 1.59 O ATOM 382 CB THR A 483 -3.158 9.230 -2.422 1.00 1.93 C ATOM 383 OG1 THR A 483 -2.394 9.961 -1.449 1.00 2.27 O ATOM 384 CG2 THR A 483 -4.307 10.094 -2.920 1.00 2.46 C ATOM 0 H THR A 483 -1.646 7.542 -1.435 1.00 1.25 H new ATOM 0 HA THR A 483 -4.359 8.151 -0.990 1.00 1.59 H new ATOM 0 HB THR A 483 -2.529 8.977 -3.276 1.00 1.93 H new ATOM 0 HG1 THR A 483 -1.533 9.515 -1.307 1.00 2.27 H new ATOM 0 HG21 THR A 483 -3.911 11.013 -3.352 1.00 2.46 H new ATOM 0 HG22 THR A 483 -4.869 9.550 -3.679 1.00 2.46 H new ATOM 0 HG23 THR A 483 -4.966 10.339 -2.087 1.00 2.46 H new ATOM 392 N LEU A 484 -3.703 6.254 -3.573 1.00 0.92 N ATOM 393 CA LEU A 484 -4.320 5.408 -4.595 1.00 0.90 C ATOM 394 C LEU A 484 -5.054 4.213 -3.979 1.00 0.84 C ATOM 395 O LEU A 484 -6.245 4.005 -4.224 1.00 0.91 O ATOM 396 CB LEU A 484 -3.265 4.902 -5.583 1.00 1.15 C ATOM 397 CG LEU A 484 -2.554 5.982 -6.396 1.00 1.69 C ATOM 398 CD1 LEU A 484 -1.534 5.352 -7.327 1.00 2.28 C ATOM 399 CD2 LEU A 484 -3.558 6.805 -7.187 1.00 2.20 C ATOM 0 H LEU A 484 -2.694 6.137 -3.478 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.050 6.023 -5.121 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -2.516 4.336 -5.029 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -3.743 4.207 -6.274 1.00 1.15 H new ATOM 0 HG LEU A 484 -2.034 6.647 -5.707 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -1.034 6.132 -7.901 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -0.796 4.804 -6.741 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -2.038 4.667 -8.009 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -3.032 7.569 -7.759 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -4.106 6.154 -7.868 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -4.257 7.283 -6.501 1.00 2.20 H new ATOM 411 N LEU A 485 -4.342 3.435 -3.176 1.00 1.02 N ATOM 412 CA LEU A 485 -4.873 2.181 -2.649 1.00 1.47 C ATOM 413 C LEU A 485 -5.983 2.420 -1.637 1.00 1.75 C ATOM 414 O LEU A 485 -7.012 1.748 -1.678 1.00 1.92 O ATOM 415 CB LEU A 485 -3.778 1.334 -1.999 1.00 1.90 C ATOM 416 CG LEU A 485 -2.851 0.539 -2.941 1.00 2.48 C ATOM 417 CD1 LEU A 485 -3.624 -0.554 -3.655 1.00 3.19 C ATOM 418 CD2 LEU A 485 -2.167 1.437 -3.960 1.00 3.10 C ATOM 0 H LEU A 485 -3.392 3.649 -2.873 1.00 1.02 H new ATOM 0 HA LEU A 485 -5.282 1.640 -3.502 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -3.158 1.992 -1.391 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -4.255 0.628 -1.319 1.00 1.90 H new ATOM 0 HG LEU A 485 -2.077 0.087 -2.320 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -2.952 -1.103 -4.315 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -4.050 -1.237 -2.921 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -4.426 -0.108 -4.243 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -1.524 0.835 -4.602 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -2.921 1.937 -4.568 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -1.565 2.183 -3.441 1.00 3.10 H new ATOM 430 N ASP A 486 -5.789 3.369 -0.728 1.00 1.95 N ATOM 431 CA ASP A 486 -6.811 3.654 0.276 1.00 2.47 C ATOM 432 C ASP A 486 -8.066 4.170 -0.411 1.00 2.33 C ATOM 433 O ASP A 486 -9.176 4.031 0.092 1.00 2.75 O ATOM 434 CB ASP A 486 -6.312 4.669 1.308 1.00 2.90 C ATOM 435 CG ASP A 486 -7.177 4.694 2.557 1.00 3.47 C ATOM 436 OD1 ASP A 486 -6.931 3.873 3.467 1.00 3.72 O ATOM 437 OD2 ASP A 486 -8.108 5.525 2.636 1.00 3.86 O ATOM 0 H ASP A 486 -4.950 3.946 -0.664 1.00 1.95 H new ATOM 0 HA ASP A 486 -7.040 2.731 0.808 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -5.286 4.428 1.584 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -6.297 5.662 0.859 1.00 2.90 H new ATOM 442 N ASP A 487 -7.875 4.748 -1.590 1.00 1.85 N ATOM 443 CA ASP A 487 -8.981 5.199 -2.416 1.00 1.83 C ATOM 444 C ASP A 487 -9.638 4.018 -3.129 1.00 1.35 C ATOM 445 O ASP A 487 -10.813 4.082 -3.489 1.00 1.40 O ATOM 446 CB ASP A 487 -8.494 6.229 -3.437 1.00 2.05 C ATOM 447 CG ASP A 487 -9.594 6.696 -4.366 1.00 2.41 C ATOM 448 OD1 ASP A 487 -10.347 7.620 -3.989 1.00 2.77 O ATOM 449 OD2 ASP A 487 -9.707 6.152 -5.484 1.00 2.59 O ATOM 0 H ASP A 487 -6.954 4.915 -1.996 1.00 1.85 H new ATOM 0 HA ASP A 487 -9.724 5.668 -1.770 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -8.080 7.089 -2.910 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -7.686 5.796 -4.026 1.00 2.05 H new ATOM 454 N ILE A 488 -8.879 2.935 -3.329 1.00 1.14 N ATOM 455 CA ILE A 488 -9.425 1.733 -3.957 1.00 1.13 C ATOM 456 C ILE A 488 -10.626 1.211 -3.168 1.00 1.43 C ATOM 457 O ILE A 488 -11.687 0.932 -3.731 1.00 2.27 O ATOM 458 CB ILE A 488 -8.383 0.598 -4.117 1.00 1.34 C ATOM 459 CG1 ILE A 488 -7.272 1.026 -5.084 1.00 1.21 C ATOM 460 CG2 ILE A 488 -9.056 -0.684 -4.604 1.00 1.77 C ATOM 461 CD1 ILE A 488 -6.401 -0.114 -5.566 1.00 1.67 C ATOM 0 H ILE A 488 -7.895 2.868 -3.067 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.735 2.032 -4.958 1.00 1.13 H new ATOM 0 HB ILE A 488 -7.935 0.399 -3.143 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -7.724 1.514 -5.947 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.642 1.768 -4.592 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -8.308 -1.470 -4.710 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.810 -0.996 -3.881 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -9.531 -0.502 -5.568 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -5.640 0.271 -6.245 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -5.918 -0.589 -4.712 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -7.016 -0.846 -6.088 1.00 1.67 H new ATOM 473 N LYS A 489 -10.435 1.101 -1.851 1.00 1.42 N ATOM 474 CA LYS A 489 -11.513 0.796 -0.903 1.00 1.75 C ATOM 475 C LYS A 489 -12.134 -0.585 -1.121 1.00 1.29 C ATOM 476 O LYS A 489 -13.199 -0.882 -0.577 1.00 1.88 O ATOM 477 CB LYS A 489 -12.585 1.892 -0.956 1.00 2.46 C ATOM 478 CG LYS A 489 -12.079 3.224 -0.430 1.00 3.04 C ATOM 479 CD LYS A 489 -13.016 4.375 -0.752 1.00 3.88 C ATOM 480 CE LYS A 489 -12.428 5.695 -0.278 1.00 4.70 C ATOM 481 NZ LYS A 489 -13.211 6.861 -0.763 1.00 5.28 N ATOM 0 H LYS A 489 -9.524 1.221 -1.409 1.00 1.42 H new ATOM 0 HA LYS A 489 -11.066 0.772 0.091 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -12.923 2.016 -1.985 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -13.450 1.579 -0.371 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -11.949 3.158 0.650 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -11.097 3.429 -0.857 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -13.194 4.416 -1.827 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -13.982 4.209 -0.275 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -12.397 5.707 0.811 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -11.399 5.779 -0.627 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -12.776 7.740 -0.417 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -13.220 6.865 -1.803 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -14.187 6.795 -0.409 1.00 5.28 H new ATOM 495 N GLY A 490 -11.456 -1.423 -1.896 1.00 0.91 N ATOM 496 CA GLY A 490 -11.886 -2.798 -2.064 1.00 0.96 C ATOM 497 C GLY A 490 -11.095 -3.727 -1.167 1.00 0.67 C ATOM 498 O GLY A 490 -9.904 -3.925 -1.382 1.00 0.69 O ATOM 0 H GLY A 490 -10.613 -1.173 -2.413 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -12.948 -2.881 -1.834 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -11.761 -3.097 -3.105 1.00 0.96 H new ATOM 502 N ALA A 491 -11.757 -4.293 -0.169 1.00 0.70 N ATOM 503 CA ALA A 491 -11.089 -5.060 0.882 1.00 0.84 C ATOM 504 C ALA A 491 -10.227 -6.193 0.322 1.00 0.71 C ATOM 505 O ALA A 491 -9.036 -6.291 0.636 1.00 0.69 O ATOM 506 CB ALA A 491 -12.119 -5.614 1.855 1.00 1.22 C ATOM 0 H ALA A 491 -12.770 -4.236 -0.061 1.00 0.70 H new ATOM 0 HA ALA A 491 -10.419 -4.378 1.405 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -11.613 -6.184 2.635 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -12.672 -4.791 2.308 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.811 -6.265 1.321 1.00 1.22 H new ATOM 512 N ASN A 492 -10.825 -7.029 -0.518 1.00 0.73 N ATOM 513 CA ASN A 492 -10.146 -8.207 -1.051 1.00 0.78 C ATOM 514 C ASN A 492 -8.972 -7.819 -1.947 1.00 0.65 C ATOM 515 O ASN A 492 -7.879 -8.375 -1.826 1.00 0.67 O ATOM 516 CB ASN A 492 -11.136 -9.085 -1.827 1.00 1.00 C ATOM 517 CG ASN A 492 -10.484 -10.323 -2.413 1.00 1.61 C ATOM 518 OD1 ASN A 492 -10.362 -11.349 -1.745 1.00 2.38 O ATOM 519 ND2 ASN A 492 -10.084 -10.246 -3.673 1.00 2.19 N ATOM 0 H ASN A 492 -11.784 -6.913 -0.847 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.750 -8.773 -0.208 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -11.947 -9.386 -1.163 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -11.583 -8.499 -2.631 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -9.657 -11.056 -4.123 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -10.203 -9.377 -4.194 1.00 2.19 H new ATOM 526 N ASP A 493 -9.195 -6.854 -2.829 1.00 0.63 N ATOM 527 CA ASP A 493 -8.164 -6.429 -3.773 1.00 0.69 C ATOM 528 C ASP A 493 -7.044 -5.679 -3.068 1.00 0.62 C ATOM 529 O ASP A 493 -5.899 -5.712 -3.503 1.00 0.66 O ATOM 530 CB ASP A 493 -8.755 -5.567 -4.890 1.00 0.86 C ATOM 531 CG ASP A 493 -9.517 -6.390 -5.909 1.00 1.33 C ATOM 532 OD1 ASP A 493 -8.867 -7.021 -6.774 1.00 1.46 O ATOM 533 OD2 ASP A 493 -10.768 -6.419 -5.848 1.00 1.97 O ATOM 0 H ASP A 493 -10.078 -6.350 -2.912 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.745 -7.331 -4.220 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -9.422 -4.821 -4.457 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -7.953 -5.025 -5.391 1.00 0.86 H new ATOM 538 N LEU A 494 -7.364 -5.019 -1.969 1.00 0.61 N ATOM 539 CA LEU A 494 -6.351 -4.324 -1.190 1.00 0.69 C ATOM 540 C LEU A 494 -5.475 -5.325 -0.451 1.00 0.57 C ATOM 541 O LEU A 494 -4.286 -5.088 -0.239 1.00 0.56 O ATOM 542 CB LEU A 494 -6.995 -3.334 -0.221 1.00 0.91 C ATOM 543 CG LEU A 494 -7.630 -2.116 -0.894 1.00 1.15 C ATOM 544 CD1 LEU A 494 -8.318 -1.225 0.126 1.00 1.74 C ATOM 545 CD2 LEU A 494 -6.574 -1.337 -1.660 1.00 1.77 C ATOM 0 H LEU A 494 -8.311 -4.949 -1.596 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.719 -3.755 -1.872 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -7.759 -3.854 0.357 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -6.239 -2.991 0.485 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.388 -2.466 -1.595 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -8.761 -0.367 -0.380 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -9.100 -1.790 0.634 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -7.588 -0.878 0.857 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -7.034 -0.471 -2.136 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -5.798 -1.002 -0.972 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -6.131 -1.978 -2.422 1.00 1.77 H new ATOM 557 N ALA A 495 -6.063 -6.456 -0.080 1.00 0.56 N ATOM 558 CA ALA A 495 -5.298 -7.555 0.496 1.00 0.59 C ATOM 559 C ALA A 495 -4.410 -8.164 -0.582 1.00 0.55 C ATOM 560 O ALA A 495 -3.281 -8.585 -0.322 1.00 0.58 O ATOM 561 CB ALA A 495 -6.230 -8.601 1.091 1.00 0.68 C ATOM 0 H ALA A 495 -7.063 -6.636 -0.167 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.670 -7.178 1.303 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.641 -9.414 1.516 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -6.837 -8.145 1.873 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -6.881 -8.995 0.310 1.00 0.68 H new ATOM 567 N LYS A 496 -4.937 -8.178 -1.801 1.00 0.59 N ATOM 568 CA LYS A 496 -4.200 -8.620 -2.976 1.00 0.68 C ATOM 569 C LYS A 496 -2.972 -7.740 -3.205 1.00 0.63 C ATOM 570 O LYS A 496 -1.857 -8.243 -3.338 1.00 0.65 O ATOM 571 CB LYS A 496 -5.125 -8.582 -4.197 1.00 0.85 C ATOM 572 CG LYS A 496 -4.427 -8.781 -5.529 1.00 1.29 C ATOM 573 CD LYS A 496 -3.851 -10.176 -5.674 1.00 1.77 C ATOM 574 CE LYS A 496 -3.367 -10.412 -7.092 1.00 2.53 C ATOM 575 NZ LYS A 496 -4.484 -10.349 -8.073 1.00 2.98 N ATOM 0 H LYS A 496 -5.892 -7.881 -2.002 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.854 -9.642 -2.818 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.886 -9.353 -4.083 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -5.643 -7.623 -4.214 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -5.134 -8.596 -6.338 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -3.627 -8.048 -5.631 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -3.024 -10.308 -4.976 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -4.608 -10.916 -5.415 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -2.615 -9.666 -7.349 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -2.883 -11.387 -7.154 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -4.217 -10.863 -8.937 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -5.334 -10.784 -7.660 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -4.684 -9.356 -8.308 1.00 2.98 H new ATOM 589 N PHE A 497 -3.185 -6.425 -3.236 1.00 0.64 N ATOM 590 CA PHE A 497 -2.088 -5.471 -3.406 1.00 0.70 C ATOM 591 C PHE A 497 -1.182 -5.461 -2.180 1.00 0.62 C ATOM 592 O PHE A 497 -0.012 -5.087 -2.260 1.00 0.67 O ATOM 593 CB PHE A 497 -2.627 -4.065 -3.692 1.00 0.84 C ATOM 594 CG PHE A 497 -3.124 -3.890 -5.101 1.00 0.98 C ATOM 595 CD1 PHE A 497 -2.241 -3.666 -6.146 1.00 1.34 C ATOM 596 CD2 PHE A 497 -4.481 -3.953 -5.381 1.00 1.27 C ATOM 597 CE1 PHE A 497 -2.699 -3.505 -7.439 1.00 1.67 C ATOM 598 CE2 PHE A 497 -4.946 -3.793 -6.672 1.00 1.72 C ATOM 599 CZ PHE A 497 -4.029 -3.561 -7.710 1.00 1.82 C ATOM 0 H PHE A 497 -4.106 -5.996 -3.146 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.495 -5.789 -4.264 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -3.439 -3.848 -2.999 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.840 -3.336 -3.499 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -1.181 -3.617 -5.946 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -5.183 -4.129 -4.580 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -1.995 -3.333 -8.240 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -6.004 -3.846 -6.881 1.00 1.72 H new ATOM 0 HZ PHE A 497 -4.381 -3.427 -8.722 1.00 1.82 H new ATOM 609 N HIS A 498 -1.721 -5.896 -1.051 1.00 0.57 N ATOM 610 CA HIS A 498 -0.935 -6.024 0.169 1.00 0.62 C ATOM 611 C HIS A 498 0.050 -7.166 0.005 1.00 0.54 C ATOM 612 O HIS A 498 1.259 -6.991 0.173 1.00 0.56 O ATOM 613 CB HIS A 498 -1.842 -6.267 1.387 1.00 0.75 C ATOM 614 CG HIS A 498 -1.101 -6.527 2.666 1.00 1.03 C ATOM 615 ND1 HIS A 498 -1.558 -7.392 3.632 1.00 1.62 N ATOM 616 CD2 HIS A 498 0.070 -6.033 3.134 1.00 1.49 C ATOM 617 CE1 HIS A 498 -0.705 -7.422 4.635 1.00 1.85 C ATOM 618 NE2 HIS A 498 0.295 -6.608 4.359 1.00 1.69 N ATOM 0 H HIS A 498 -2.700 -6.167 -0.953 1.00 0.57 H new ATOM 0 HA HIS A 498 -0.393 -5.094 0.342 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -2.487 -5.399 1.524 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -2.492 -7.117 1.178 1.00 0.75 H new ATOM 0 HD2 HIS A 498 0.708 -5.319 2.635 1.00 1.49 H new ATOM 0 HE1 HIS A 498 -0.807 -8.014 5.533 1.00 1.85 H new ATOM 0 HE2 HIS A 498 1.103 -6.435 4.958 1.00 1.69 H new ATOM 627 N GLN A 499 -0.479 -8.330 -0.342 1.00 0.54 N ATOM 628 CA GLN A 499 0.346 -9.487 -0.636 1.00 0.60 C ATOM 629 C GLN A 499 1.284 -9.172 -1.791 1.00 0.53 C ATOM 630 O GLN A 499 2.391 -9.698 -1.868 1.00 0.54 O ATOM 631 CB GLN A 499 -0.530 -10.690 -0.986 1.00 0.77 C ATOM 632 CG GLN A 499 0.262 -11.942 -1.334 1.00 1.43 C ATOM 633 CD GLN A 499 -0.607 -13.054 -1.882 1.00 2.00 C ATOM 634 OE1 GLN A 499 -0.829 -13.142 -3.090 1.00 2.63 O ATOM 635 NE2 GLN A 499 -1.099 -13.913 -1.006 1.00 2.58 N ATOM 0 H GLN A 499 -1.482 -8.496 -0.426 1.00 0.54 H new ATOM 0 HA GLN A 499 0.936 -9.732 0.247 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -1.186 -10.908 -0.143 1.00 0.77 H new ATOM 0 HB3 GLN A 499 -1.170 -10.429 -1.829 1.00 0.77 H new ATOM 0 HG2 GLN A 499 1.027 -11.690 -2.068 1.00 1.43 H new ATOM 0 HG3 GLN A 499 0.780 -12.298 -0.443 1.00 1.43 H new ATOM 0 HE21 GLN A 499 -0.891 -13.805 -0.013 1.00 2.58 H new ATOM 0 HE22 GLN A 499 -1.687 -14.684 -1.323 1.00 2.58 H new ATOM 644 N MET A 500 0.832 -8.296 -2.678 1.00 0.54 N ATOM 645 CA MET A 500 1.625 -7.897 -3.822 1.00 0.63 C ATOM 646 C MET A 500 2.899 -7.193 -3.372 1.00 0.57 C ATOM 647 O MET A 500 3.997 -7.561 -3.787 1.00 0.58 O ATOM 648 CB MET A 500 0.825 -6.997 -4.766 1.00 0.80 C ATOM 649 CG MET A 500 1.579 -6.644 -6.036 1.00 1.26 C ATOM 650 SD MET A 500 0.590 -5.678 -7.192 1.00 1.91 S ATOM 651 CE MET A 500 1.746 -5.506 -8.550 1.00 2.52 C ATOM 0 H MET A 500 -0.083 -7.849 -2.623 1.00 0.54 H new ATOM 0 HA MET A 500 1.898 -8.800 -4.368 1.00 0.63 H new ATOM 0 HB2 MET A 500 -0.107 -7.496 -5.031 1.00 0.80 H new ATOM 0 HB3 MET A 500 0.557 -6.079 -4.243 1.00 0.80 H new ATOM 0 HG2 MET A 500 2.476 -6.083 -5.776 1.00 1.26 H new ATOM 0 HG3 MET A 500 1.907 -7.561 -6.525 1.00 1.26 H new ATOM 0 HE1 MET A 500 1.283 -4.929 -9.351 1.00 2.52 H new ATOM 0 HE2 MET A 500 2.642 -4.991 -8.202 1.00 2.52 H new ATOM 0 HE3 MET A 500 2.017 -6.493 -8.924 1.00 2.52 H new ATOM 661 N LEU A 501 2.754 -6.199 -2.500 1.00 0.59 N ATOM 662 CA LEU A 501 3.908 -5.480 -1.970 1.00 0.65 C ATOM 663 C LEU A 501 4.795 -6.423 -1.170 1.00 0.56 C ATOM 664 O LEU A 501 6.020 -6.292 -1.174 1.00 0.62 O ATOM 665 CB LEU A 501 3.473 -4.318 -1.081 1.00 0.85 C ATOM 666 CG LEU A 501 2.514 -3.311 -1.724 1.00 1.30 C ATOM 667 CD1 LEU A 501 2.032 -2.304 -0.692 1.00 2.09 C ATOM 668 CD2 LEU A 501 3.185 -2.596 -2.886 1.00 1.91 C ATOM 0 H LEU A 501 1.854 -5.875 -2.147 1.00 0.59 H new ATOM 0 HA LEU A 501 4.468 -5.081 -2.816 1.00 0.65 H new ATOM 0 HB2 LEU A 501 2.998 -4.726 -0.189 1.00 0.85 H new ATOM 0 HB3 LEU A 501 4.364 -3.784 -0.751 1.00 0.85 H new ATOM 0 HG LEU A 501 1.652 -3.857 -2.108 1.00 1.30 H new ATOM 0 HD11 LEU A 501 1.352 -1.596 -1.165 1.00 2.09 H new ATOM 0 HD12 LEU A 501 1.512 -2.826 0.111 1.00 2.09 H new ATOM 0 HD13 LEU A 501 2.887 -1.767 -0.281 1.00 2.09 H new ATOM 0 HD21 LEU A 501 2.487 -1.886 -3.328 1.00 1.91 H new ATOM 0 HD22 LEU A 501 4.065 -2.063 -2.526 1.00 1.91 H new ATOM 0 HD23 LEU A 501 3.485 -3.326 -3.638 1.00 1.91 H new ATOM 680 N VAL A 502 4.169 -7.376 -0.485 1.00 0.53 N ATOM 681 CA VAL A 502 4.908 -8.399 0.244 1.00 0.64 C ATOM 682 C VAL A 502 5.730 -9.250 -0.726 1.00 0.61 C ATOM 683 O VAL A 502 6.849 -9.651 -0.420 1.00 0.73 O ATOM 684 CB VAL A 502 3.962 -9.300 1.073 1.00 0.86 C ATOM 685 CG1 VAL A 502 4.737 -10.403 1.781 1.00 1.11 C ATOM 686 CG2 VAL A 502 3.182 -8.466 2.082 1.00 1.02 C ATOM 0 H VAL A 502 3.155 -7.460 -0.420 1.00 0.53 H new ATOM 0 HA VAL A 502 5.581 -7.894 0.937 1.00 0.64 H new ATOM 0 HB VAL A 502 3.257 -9.770 0.388 1.00 0.86 H new ATOM 0 HG11 VAL A 502 4.047 -11.021 2.356 1.00 1.11 H new ATOM 0 HG12 VAL A 502 5.248 -11.021 1.042 1.00 1.11 H new ATOM 0 HG13 VAL A 502 5.472 -9.958 2.452 1.00 1.11 H new ATOM 0 HG21 VAL A 502 2.521 -9.115 2.657 1.00 1.02 H new ATOM 0 HG22 VAL A 502 3.878 -7.967 2.757 1.00 1.02 H new ATOM 0 HG23 VAL A 502 2.588 -7.719 1.555 1.00 1.02 H new ATOM 696 N LYS A 503 5.177 -9.502 -1.906 1.00 0.58 N ATOM 697 CA LYS A 503 5.892 -10.235 -2.943 1.00 0.71 C ATOM 698 C LYS A 503 6.891 -9.333 -3.658 1.00 0.69 C ATOM 699 O LYS A 503 7.766 -9.810 -4.377 1.00 0.84 O ATOM 700 CB LYS A 503 4.921 -10.834 -3.958 1.00 0.88 C ATOM 701 CG LYS A 503 4.077 -11.970 -3.410 1.00 1.35 C ATOM 702 CD LYS A 503 3.215 -12.578 -4.500 1.00 1.44 C ATOM 703 CE LYS A 503 2.427 -13.774 -3.998 1.00 2.04 C ATOM 704 NZ LYS A 503 1.673 -14.437 -5.093 1.00 2.54 N ATOM 0 H LYS A 503 4.236 -9.210 -2.169 1.00 0.58 H new ATOM 0 HA LYS A 503 6.435 -11.045 -2.456 1.00 0.71 H new ATOM 0 HB2 LYS A 503 4.260 -10.047 -4.321 1.00 0.88 H new ATOM 0 HB3 LYS A 503 5.487 -11.197 -4.816 1.00 0.88 H new ATOM 0 HG2 LYS A 503 4.724 -12.736 -2.983 1.00 1.35 H new ATOM 0 HG3 LYS A 503 3.444 -11.601 -2.603 1.00 1.35 H new ATOM 0 HD2 LYS A 503 2.527 -11.824 -4.881 1.00 1.44 H new ATOM 0 HD3 LYS A 503 3.847 -12.884 -5.334 1.00 1.44 H new ATOM 0 HE2 LYS A 503 3.108 -14.491 -3.539 1.00 2.04 H new ATOM 0 HE3 LYS A 503 1.733 -13.452 -3.222 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 1.148 -15.249 -4.711 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 1.005 -13.760 -5.514 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 2.338 -14.767 -5.822 1.00 2.54 H new ATOM 718 N ILE A 504 6.739 -8.026 -3.490 1.00 0.62 N ATOM 719 CA ILE A 504 7.709 -7.075 -4.018 1.00 0.73 C ATOM 720 C ILE A 504 9.006 -7.119 -3.208 1.00 0.73 C ATOM 721 O ILE A 504 10.102 -7.129 -3.772 1.00 0.85 O ATOM 722 CB ILE A 504 7.149 -5.632 -4.049 1.00 0.87 C ATOM 723 CG1 ILE A 504 6.023 -5.536 -5.085 1.00 1.30 C ATOM 724 CG2 ILE A 504 8.253 -4.628 -4.363 1.00 1.34 C ATOM 725 CD1 ILE A 504 5.401 -4.161 -5.193 1.00 1.75 C ATOM 0 H ILE A 504 5.956 -7.601 -2.994 1.00 0.62 H new ATOM 0 HA ILE A 504 7.921 -7.371 -5.046 1.00 0.73 H new ATOM 0 HB ILE A 504 6.748 -5.391 -3.065 1.00 0.87 H new ATOM 0 HG12 ILE A 504 6.415 -5.824 -6.060 1.00 1.30 H new ATOM 0 HG13 ILE A 504 5.246 -6.256 -4.829 1.00 1.30 H new ATOM 0 HG21 ILE A 504 7.835 -3.621 -4.379 1.00 1.34 H new ATOM 0 HG22 ILE A 504 9.027 -4.687 -3.598 1.00 1.34 H new ATOM 0 HG23 ILE A 504 8.687 -4.857 -5.336 1.00 1.34 H new ATOM 0 HD11 ILE A 504 4.613 -4.176 -5.946 1.00 1.75 H new ATOM 0 HD12 ILE A 504 4.977 -3.877 -4.230 1.00 1.75 H new ATOM 0 HD13 ILE A 504 6.164 -3.438 -5.480 1.00 1.75 H new ATOM 737 N ILE A 505 8.877 -7.166 -1.888 1.00 0.71 N ATOM 738 CA ILE A 505 10.044 -7.195 -1.009 1.00 0.85 C ATOM 739 C ILE A 505 10.516 -8.624 -0.746 1.00 0.97 C ATOM 740 O ILE A 505 11.692 -8.860 -0.475 1.00 1.20 O ATOM 741 CB ILE A 505 9.760 -6.496 0.338 1.00 1.10 C ATOM 742 CG1 ILE A 505 8.565 -7.148 1.046 1.00 1.49 C ATOM 743 CG2 ILE A 505 9.508 -5.011 0.116 1.00 1.83 C ATOM 744 CD1 ILE A 505 8.282 -6.576 2.418 1.00 2.19 C ATOM 745 OXT ILE A 505 9.659 -9.537 -0.799 1.00 1.58 O ATOM 0 H ILE A 505 7.980 -7.185 -1.402 1.00 0.71 H new ATOM 0 HA ILE A 505 10.834 -6.652 -1.529 1.00 0.85 H new ATOM 0 HB ILE A 505 10.635 -6.608 0.979 1.00 1.10 H new ATOM 0 HG12 ILE A 505 7.678 -7.031 0.424 1.00 1.49 H new ATOM 0 HG13 ILE A 505 8.750 -8.218 1.140 1.00 1.49 H new ATOM 0 HG21 ILE A 505 9.309 -4.529 1.073 1.00 1.83 H new ATOM 0 HG22 ILE A 505 10.386 -4.558 -0.343 1.00 1.83 H new ATOM 0 HG23 ILE A 505 8.648 -4.882 -0.541 1.00 1.83 H new ATOM 0 HD11 ILE A 505 7.424 -7.087 2.855 1.00 2.19 H new ATOM 0 HD12 ILE A 505 9.153 -6.717 3.058 1.00 2.19 H new ATOM 0 HD13 ILE A 505 8.065 -5.511 2.331 1.00 2.19 H new TER 757 ILE A 505