USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 613 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 17 SER OG : rot 46:sc= 1.84 USER MOD Set 1.2: A 40 TYR OH : rot 34:sc= 1 USER MOD Set 1.3: A 48 THR OG1 : rot -49:sc= 1.03 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -108:sc= 1.93 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00846 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -120:sc= 1.22 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 46 MET CE :methyl -162:sc= -0.907 (180deg=-1.23) USER MOD Single : A 54 SER OG : rot 85:sc= 1.27 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 41:sc= 0.0849 USER MOD Single : A 70 THR OG1 : rot -160:sc= -2.58! USER MOD Single : A 79 ASN : amide:sc= -1.25 K(o=-1.3,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -13.781 8.773 1.113 1.00 1.35 N ATOM 31 CA THR A 3 -12.548 9.414 0.777 1.00 1.15 C ATOM 32 C THR A 3 -11.556 8.364 0.269 1.00 1.02 C ATOM 33 O THR A 3 -11.121 7.474 1.007 1.00 1.25 O ATOM 34 CB THR A 3 -11.976 10.275 1.961 1.00 1.52 C ATOM 35 OG1 THR A 3 -10.805 10.974 1.523 1.00 2.18 O ATOM 36 CG2 THR A 3 -11.655 9.446 3.210 1.00 1.91 C ATOM 0 HA THR A 3 -12.730 10.130 -0.025 1.00 1.15 H new ATOM 0 HB THR A 3 -12.755 10.981 2.248 1.00 1.52 H new ATOM 0 HG1 THR A 3 -10.450 11.512 2.261 1.00 2.18 H new ATOM 0 HG21 THR A 3 -11.264 10.100 3.990 1.00 1.91 H new ATOM 0 HG22 THR A 3 -12.562 8.958 3.566 1.00 1.91 H new ATOM 0 HG23 THR A 3 -10.910 8.690 2.963 1.00 1.91 H new ATOM 44 N LEU A 4 -11.315 8.405 -1.029 1.00 0.80 N ATOM 45 CA LEU A 4 -10.410 7.481 -1.680 1.00 0.74 C ATOM 46 C LEU A 4 -8.995 7.651 -1.151 1.00 0.68 C ATOM 47 O LEU A 4 -8.611 8.746 -0.708 1.00 0.89 O ATOM 48 CB LEU A 4 -10.448 7.673 -3.200 1.00 0.74 C ATOM 49 CG LEU A 4 -11.809 7.442 -3.868 1.00 0.89 C ATOM 50 CD1 LEU A 4 -11.716 7.691 -5.364 1.00 1.00 C ATOM 51 CD2 LEU A 4 -12.312 6.031 -3.589 1.00 1.10 C ATOM 0 H LEU A 4 -11.743 9.082 -1.661 1.00 0.80 H new ATOM 0 HA LEU A 4 -10.736 6.466 -1.455 1.00 0.74 H new ATOM 0 HB2 LEU A 4 -10.120 8.687 -3.427 1.00 0.74 H new ATOM 0 HB3 LEU A 4 -9.723 6.995 -3.651 1.00 0.74 H new ATOM 0 HG LEU A 4 -12.524 8.148 -3.445 1.00 0.89 H new ATOM 0 HD11 LEU A 4 -12.691 7.523 -5.822 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -11.404 8.720 -5.543 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -10.987 7.009 -5.802 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -13.279 5.887 -4.072 1.00 1.10 H new ATOM 0 HD22 LEU A 4 -11.599 5.306 -3.982 1.00 1.10 H new ATOM 0 HD23 LEU A 4 -12.419 5.889 -2.514 1.00 1.10 H new ATOM 63 N LEU A 5 -8.230 6.589 -1.219 1.00 0.59 N ATOM 64 CA LEU A 5 -6.890 6.560 -0.686 1.00 0.61 C ATOM 65 C LEU A 5 -6.009 7.521 -1.464 1.00 0.53 C ATOM 66 O LEU A 5 -5.926 7.442 -2.692 1.00 0.53 O ATOM 67 CB LEU A 5 -6.352 5.122 -0.753 1.00 0.76 C ATOM 68 CG LEU A 5 -4.946 4.863 -0.197 1.00 0.75 C ATOM 69 CD1 LEU A 5 -4.859 5.242 1.269 1.00 1.16 C ATOM 70 CD2 LEU A 5 -4.584 3.401 -0.381 1.00 1.48 C ATOM 0 H LEU A 5 -8.523 5.712 -1.650 1.00 0.59 H new ATOM 0 HA LEU A 5 -6.892 6.878 0.356 1.00 0.61 H new ATOM 0 HB2 LEU A 5 -7.049 4.477 -0.218 1.00 0.76 H new ATOM 0 HB3 LEU A 5 -6.364 4.807 -1.796 1.00 0.76 H new ATOM 0 HG LEU A 5 -4.239 5.484 -0.747 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -3.851 5.048 1.636 1.00 1.16 H new ATOM 0 HD12 LEU A 5 -5.090 6.301 1.385 1.00 1.16 H new ATOM 0 HD13 LEU A 5 -5.574 4.650 1.841 1.00 1.16 H new ATOM 0 HD21 LEU A 5 -3.585 3.221 0.015 1.00 1.48 H new ATOM 0 HD22 LEU A 5 -5.303 2.778 0.151 1.00 1.48 H new ATOM 0 HD23 LEU A 5 -4.604 3.152 -1.442 1.00 1.48 H new ATOM 82 N THR A 6 -5.397 8.439 -0.763 1.00 0.60 N ATOM 83 CA THR A 6 -4.573 9.423 -1.394 1.00 0.62 C ATOM 84 C THR A 6 -3.155 8.895 -1.517 1.00 0.56 C ATOM 85 O THR A 6 -2.816 7.857 -0.919 1.00 0.55 O ATOM 86 CB THR A 6 -4.548 10.750 -0.584 1.00 0.80 C ATOM 87 OG1 THR A 6 -3.957 10.517 0.710 1.00 0.88 O ATOM 88 CG2 THR A 6 -5.950 11.314 -0.404 1.00 0.93 C ATOM 0 H THR A 6 -5.458 8.522 0.252 1.00 0.60 H new ATOM 0 HA THR A 6 -4.991 9.627 -2.380 1.00 0.62 H new ATOM 0 HB THR A 6 -3.955 11.475 -1.141 1.00 0.80 H new ATOM 0 HG1 THR A 6 -4.654 10.549 1.398 1.00 0.88 H new ATOM 0 HG21 THR A 6 -5.899 12.242 0.166 1.00 0.93 H new ATOM 0 HG22 THR A 6 -6.391 11.513 -1.381 1.00 0.93 H new ATOM 0 HG23 THR A 6 -6.566 10.592 0.132 1.00 0.93 H new ATOM 96 N THR A 7 -2.322 9.602 -2.234 1.00 0.59 N ATOM 97 CA THR A 7 -0.942 9.252 -2.339 1.00 0.58 C ATOM 98 C THR A 7 -0.237 9.600 -1.036 1.00 0.47 C ATOM 99 O THR A 7 0.619 8.876 -0.582 1.00 0.45 O ATOM 100 CB THR A 7 -0.290 9.968 -3.529 1.00 0.70 C ATOM 101 OG1 THR A 7 -0.582 11.371 -3.472 1.00 1.31 O ATOM 102 CG2 THR A 7 -0.802 9.396 -4.840 1.00 1.10 C ATOM 0 H THR A 7 -2.587 10.435 -2.759 1.00 0.59 H new ATOM 0 HA THR A 7 -0.853 8.180 -2.515 1.00 0.58 H new ATOM 0 HB THR A 7 0.788 9.817 -3.476 1.00 0.70 H new ATOM 0 HG1 THR A 7 -0.162 11.824 -4.233 1.00 1.31 H new ATOM 0 HG21 THR A 7 -0.329 9.916 -5.673 1.00 1.10 H new ATOM 0 HG22 THR A 7 -0.562 8.334 -4.892 1.00 1.10 H new ATOM 0 HG23 THR A 7 -1.883 9.527 -4.897 1.00 1.10 H new ATOM 110 N ASP A 8 -0.661 10.698 -0.433 1.00 0.52 N ATOM 111 CA ASP A 8 -0.143 11.160 0.859 1.00 0.54 C ATOM 112 C ASP A 8 -0.397 10.127 1.951 1.00 0.48 C ATOM 113 O ASP A 8 0.508 9.782 2.722 1.00 0.52 O ATOM 114 CB ASP A 8 -0.766 12.509 1.254 1.00 0.71 C ATOM 115 CG ASP A 8 -0.203 13.696 0.489 1.00 1.19 C ATOM 116 OD1 ASP A 8 -0.482 13.811 -0.722 1.00 1.79 O ATOM 117 OD2 ASP A 8 0.537 14.528 1.072 1.00 1.67 O ATOM 0 H ASP A 8 -1.381 11.305 -0.824 1.00 0.52 H new ATOM 0 HA ASP A 8 0.933 11.294 0.752 1.00 0.54 H new ATOM 0 HB2 ASP A 8 -1.843 12.462 1.091 1.00 0.71 H new ATOM 0 HB3 ASP A 8 -0.612 12.671 2.321 1.00 0.71 H new ATOM 122 N ASP A 9 -1.617 9.608 2.001 1.00 0.50 N ATOM 123 CA ASP A 9 -1.971 8.576 2.979 1.00 0.59 C ATOM 124 C ASP A 9 -1.259 7.276 2.683 1.00 0.52 C ATOM 125 O ASP A 9 -0.748 6.622 3.595 1.00 0.60 O ATOM 126 CB ASP A 9 -3.490 8.341 3.082 1.00 0.80 C ATOM 127 CG ASP A 9 -4.222 9.420 3.854 1.00 1.24 C ATOM 128 OD1 ASP A 9 -4.255 9.389 5.098 1.00 2.00 O ATOM 129 OD2 ASP A 9 -4.783 10.334 3.222 1.00 1.68 O ATOM 0 H ASP A 9 -2.379 9.881 1.380 1.00 0.50 H new ATOM 0 HA ASP A 9 -1.639 8.951 3.947 1.00 0.59 H new ATOM 0 HB2 ASP A 9 -3.908 8.278 2.077 1.00 0.80 H new ATOM 0 HB3 ASP A 9 -3.668 7.379 3.562 1.00 0.80 H new ATOM 134 N LEU A 10 -1.201 6.918 1.405 1.00 0.46 N ATOM 135 CA LEU A 10 -0.525 5.700 0.972 1.00 0.48 C ATOM 136 C LEU A 10 0.968 5.787 1.293 1.00 0.45 C ATOM 137 O LEU A 10 1.580 4.807 1.713 1.00 0.51 O ATOM 138 CB LEU A 10 -0.733 5.478 -0.536 1.00 0.52 C ATOM 139 CG LEU A 10 -0.151 4.189 -1.122 1.00 0.65 C ATOM 140 CD1 LEU A 10 -0.824 2.971 -0.516 1.00 1.07 C ATOM 141 CD2 LEU A 10 -0.289 4.177 -2.631 1.00 1.19 C ATOM 0 H LEU A 10 -1.617 7.458 0.646 1.00 0.46 H new ATOM 0 HA LEU A 10 -0.953 4.853 1.509 1.00 0.48 H new ATOM 0 HB2 LEU A 10 -1.804 5.492 -0.739 1.00 0.52 H new ATOM 0 HB3 LEU A 10 -0.297 6.323 -1.069 1.00 0.52 H new ATOM 0 HG LEU A 10 0.910 4.152 -0.874 1.00 0.65 H new ATOM 0 HD11 LEU A 10 -0.395 2.066 -0.947 1.00 1.07 H new ATOM 0 HD12 LEU A 10 -0.668 2.968 0.563 1.00 1.07 H new ATOM 0 HD13 LEU A 10 -1.893 3.002 -0.728 1.00 1.07 H new ATOM 0 HD21 LEU A 10 0.131 3.252 -3.027 1.00 1.19 H new ATOM 0 HD22 LEU A 10 -1.343 4.242 -2.900 1.00 1.19 H new ATOM 0 HD23 LEU A 10 0.246 5.028 -3.052 1.00 1.19 H new ATOM 153 N ARG A 11 1.527 6.977 1.111 1.00 0.42 N ATOM 154 CA ARG A 11 2.926 7.258 1.398 1.00 0.47 C ATOM 155 C ARG A 11 3.229 6.935 2.841 1.00 0.47 C ATOM 156 O ARG A 11 4.135 6.160 3.121 1.00 0.53 O ATOM 157 CB ARG A 11 3.237 8.732 1.125 1.00 0.56 C ATOM 158 CG ARG A 11 4.688 9.119 1.333 1.00 0.83 C ATOM 159 CD ARG A 11 4.899 10.602 1.100 1.00 0.87 C ATOM 160 NE ARG A 11 4.234 11.431 2.111 1.00 0.97 N ATOM 161 CZ ARG A 11 3.753 12.659 1.907 1.00 1.40 C ATOM 162 NH1 ARG A 11 3.733 13.174 0.687 1.00 1.87 N ATOM 163 NH2 ARG A 11 3.250 13.355 2.921 1.00 1.87 N ATOM 0 H ARG A 11 1.014 7.784 0.755 1.00 0.42 H new ATOM 0 HA ARG A 11 3.547 6.639 0.751 1.00 0.47 H new ATOM 0 HB2 ARG A 11 2.956 8.965 0.098 1.00 0.56 H new ATOM 0 HB3 ARG A 11 2.614 9.348 1.774 1.00 0.56 H new ATOM 0 HG2 ARG A 11 4.994 8.860 2.347 1.00 0.83 H new ATOM 0 HG3 ARG A 11 5.320 8.548 0.653 1.00 0.83 H new ATOM 0 HD2 ARG A 11 5.967 10.818 1.103 1.00 0.87 H new ATOM 0 HD3 ARG A 11 4.523 10.868 0.112 1.00 0.87 H new ATOM 0 HE ARG A 11 4.131 11.037 3.046 1.00 0.97 H new ATOM 0 HH11 ARG A 11 4.086 12.632 -0.101 1.00 1.87 H new ATOM 0 HH12 ARG A 11 3.364 14.113 0.536 1.00 1.87 H new ATOM 0 HH21 ARG A 11 3.231 12.951 3.857 1.00 1.87 H new ATOM 0 HH22 ARG A 11 2.883 14.293 2.763 1.00 1.87 H new ATOM 177 N ARG A 12 2.422 7.506 3.750 1.00 0.46 N ATOM 178 CA ARG A 12 2.594 7.302 5.192 1.00 0.52 C ATOM 179 C ARG A 12 2.640 5.829 5.538 1.00 0.55 C ATOM 180 O ARG A 12 3.499 5.399 6.314 1.00 0.65 O ATOM 181 CB ARG A 12 1.498 7.998 6.014 1.00 0.53 C ATOM 182 CG ARG A 12 1.499 9.509 5.887 1.00 1.03 C ATOM 183 CD ARG A 12 0.584 10.169 6.910 1.00 1.16 C ATOM 184 NE ARG A 12 -0.841 9.837 6.728 1.00 1.72 N ATOM 185 CZ ARG A 12 -1.766 9.904 7.705 1.00 2.32 C ATOM 186 NH1 ARG A 12 -1.404 10.130 8.968 1.00 2.40 N ATOM 187 NH2 ARG A 12 -3.043 9.723 7.426 1.00 3.33 N ATOM 0 H ARG A 12 1.641 8.115 3.507 1.00 0.46 H new ATOM 0 HA ARG A 12 3.549 7.757 5.454 1.00 0.52 H new ATOM 0 HB2 ARG A 12 0.526 7.618 5.700 1.00 0.53 H new ATOM 0 HB3 ARG A 12 1.621 7.732 7.064 1.00 0.53 H new ATOM 0 HG2 ARG A 12 2.515 9.883 6.015 1.00 1.03 H new ATOM 0 HG3 ARG A 12 1.181 9.788 4.883 1.00 1.03 H new ATOM 0 HD2 ARG A 12 0.894 9.867 7.910 1.00 1.16 H new ATOM 0 HD3 ARG A 12 0.707 11.250 6.851 1.00 1.16 H new ATOM 0 HE ARG A 12 -1.146 9.537 5.802 1.00 1.72 H new ATOM 0 HH11 ARG A 12 -0.419 10.254 9.202 1.00 2.40 H new ATOM 0 HH12 ARG A 12 -2.112 10.179 9.701 1.00 2.40 H new ATOM 0 HH21 ARG A 12 -3.333 9.531 6.467 1.00 3.33 H new ATOM 0 HH22 ARG A 12 -3.740 9.775 8.169 1.00 3.33 H new ATOM 201 N ALA A 13 1.747 5.060 4.920 1.00 0.52 N ATOM 202 CA ALA A 13 1.694 3.627 5.122 1.00 0.58 C ATOM 203 C ALA A 13 3.019 2.979 4.719 1.00 0.59 C ATOM 204 O ALA A 13 3.717 2.441 5.572 1.00 0.67 O ATOM 205 CB ALA A 13 0.533 3.021 4.352 1.00 0.62 C ATOM 0 H ALA A 13 1.046 5.417 4.270 1.00 0.52 H new ATOM 0 HA ALA A 13 1.532 3.433 6.182 1.00 0.58 H new ATOM 0 HB1 ALA A 13 0.510 1.944 4.517 1.00 0.62 H new ATOM 0 HB2 ALA A 13 -0.402 3.461 4.698 1.00 0.62 H new ATOM 0 HB3 ALA A 13 0.657 3.223 3.288 1.00 0.62 H new ATOM 211 N LEU A 14 3.387 3.098 3.428 1.00 0.56 N ATOM 212 CA LEU A 14 4.637 2.550 2.888 1.00 0.63 C ATOM 213 C LEU A 14 5.875 2.991 3.664 1.00 0.73 C ATOM 214 O LEU A 14 6.853 2.260 3.736 1.00 0.95 O ATOM 215 CB LEU A 14 4.807 2.907 1.408 1.00 0.64 C ATOM 216 CG LEU A 14 4.070 2.035 0.382 1.00 0.72 C ATOM 217 CD1 LEU A 14 2.564 2.075 0.530 1.00 1.05 C ATOM 218 CD2 LEU A 14 4.489 2.398 -1.025 1.00 1.24 C ATOM 0 H LEU A 14 2.819 3.580 2.731 1.00 0.56 H new ATOM 0 HA LEU A 14 4.552 1.469 2.996 1.00 0.63 H new ATOM 0 HB2 LEU A 14 4.480 3.938 1.270 1.00 0.64 H new ATOM 0 HB3 LEU A 14 5.871 2.876 1.174 1.00 0.64 H new ATOM 0 HG LEU A 14 4.363 1.005 0.585 1.00 0.72 H new ATOM 0 HD11 LEU A 14 2.107 1.437 -0.226 1.00 1.05 H new ATOM 0 HD12 LEU A 14 2.286 1.718 1.522 1.00 1.05 H new ATOM 0 HD13 LEU A 14 2.213 3.099 0.401 1.00 1.05 H new ATOM 0 HD21 LEU A 14 3.955 1.769 -1.737 1.00 1.24 H new ATOM 0 HD22 LEU A 14 4.252 3.444 -1.217 1.00 1.24 H new ATOM 0 HD23 LEU A 14 5.562 2.243 -1.137 1.00 1.24 H new ATOM 230 N VAL A 15 5.843 4.170 4.206 1.00 0.69 N ATOM 231 CA VAL A 15 6.931 4.657 5.019 1.00 0.80 C ATOM 232 C VAL A 15 6.991 3.883 6.351 1.00 0.85 C ATOM 233 O VAL A 15 7.991 3.203 6.642 1.00 1.00 O ATOM 234 CB VAL A 15 6.798 6.199 5.266 1.00 0.85 C ATOM 235 CG1 VAL A 15 7.821 6.696 6.268 1.00 0.98 C ATOM 236 CG2 VAL A 15 6.973 6.960 3.964 1.00 0.93 C ATOM 0 H VAL A 15 5.068 4.825 4.102 1.00 0.69 H new ATOM 0 HA VAL A 15 7.866 4.488 4.484 1.00 0.80 H new ATOM 0 HB VAL A 15 5.801 6.375 5.670 1.00 0.85 H new ATOM 0 HG11 VAL A 15 7.697 7.769 6.413 1.00 0.98 H new ATOM 0 HG12 VAL A 15 7.678 6.183 7.219 1.00 0.98 H new ATOM 0 HG13 VAL A 15 8.825 6.494 5.894 1.00 0.98 H new ATOM 0 HG21 VAL A 15 6.878 8.029 4.152 1.00 0.93 H new ATOM 0 HG22 VAL A 15 7.959 6.751 3.550 1.00 0.93 H new ATOM 0 HG23 VAL A 15 6.208 6.647 3.254 1.00 0.93 H new ATOM 246 N GLU A 16 5.922 3.945 7.125 1.00 0.83 N ATOM 247 CA GLU A 16 5.921 3.393 8.469 1.00 0.98 C ATOM 248 C GLU A 16 5.906 1.863 8.521 1.00 1.01 C ATOM 249 O GLU A 16 6.432 1.269 9.470 1.00 1.21 O ATOM 250 CB GLU A 16 4.803 3.992 9.300 1.00 1.12 C ATOM 251 CG GLU A 16 3.412 3.563 8.923 1.00 1.25 C ATOM 252 CD GLU A 16 2.369 4.218 9.794 1.00 1.62 C ATOM 253 OE1 GLU A 16 2.207 3.814 10.959 1.00 1.93 O ATOM 254 OE2 GLU A 16 1.667 5.131 9.309 1.00 2.18 O ATOM 0 H GLU A 16 5.040 4.374 6.845 1.00 0.83 H new ATOM 0 HA GLU A 16 6.876 3.680 8.908 1.00 0.98 H new ATOM 0 HB2 GLU A 16 4.973 3.734 10.345 1.00 1.12 H new ATOM 0 HB3 GLU A 16 4.862 5.078 9.226 1.00 1.12 H new ATOM 0 HG2 GLU A 16 3.224 3.815 7.879 1.00 1.25 H new ATOM 0 HG3 GLU A 16 3.330 2.480 9.009 1.00 1.25 H new ATOM 261 N SER A 17 5.339 1.223 7.516 1.00 0.92 N ATOM 262 CA SER A 17 5.296 -0.248 7.492 1.00 1.03 C ATOM 263 C SER A 17 6.665 -0.881 7.160 1.00 1.14 C ATOM 264 O SER A 17 6.825 -2.112 7.188 1.00 1.40 O ATOM 265 CB SER A 17 4.161 -0.783 6.585 1.00 0.97 C ATOM 266 OG SER A 17 4.214 -0.258 5.269 1.00 1.65 O ATOM 0 H SER A 17 4.905 1.678 6.713 1.00 0.92 H new ATOM 0 HA SER A 17 5.060 -0.564 8.508 1.00 1.03 H new ATOM 0 HB2 SER A 17 4.221 -1.870 6.540 1.00 0.97 H new ATOM 0 HB3 SER A 17 3.198 -0.535 7.032 1.00 0.97 H new ATOM 0 HG SER A 17 5.135 -0.298 4.938 1.00 1.65 H new ATOM 272 N ALA A 18 7.638 -0.047 6.852 1.00 1.07 N ATOM 273 CA ALA A 18 8.993 -0.499 6.606 1.00 1.24 C ATOM 274 C ALA A 18 9.882 0.038 7.695 1.00 1.33 C ATOM 275 O ALA A 18 10.195 -0.648 8.671 1.00 1.59 O ATOM 276 CB ALA A 18 9.493 -0.011 5.245 1.00 1.29 C ATOM 0 H ALA A 18 7.512 0.961 6.765 1.00 1.07 H new ATOM 0 HA ALA A 18 9.012 -1.589 6.602 1.00 1.24 H new ATOM 0 HB1 ALA A 18 10.512 -0.363 5.084 1.00 1.29 H new ATOM 0 HB2 ALA A 18 8.846 -0.400 4.459 1.00 1.29 H new ATOM 0 HB3 ALA A 18 9.478 1.079 5.221 1.00 1.29 H new ATOM 282 N GLY A 19 10.185 1.287 7.561 1.00 1.34 N ATOM 283 CA GLY A 19 11.022 1.994 8.450 1.00 1.54 C ATOM 284 C GLY A 19 10.905 3.417 8.080 1.00 1.61 C ATOM 285 O GLY A 19 11.115 3.753 6.912 1.00 2.24 O ATOM 0 H GLY A 19 9.836 1.860 6.793 1.00 1.34 H new ATOM 0 HA2 GLY A 19 10.716 1.834 9.484 1.00 1.54 H new ATOM 0 HA3 GLY A 19 12.054 1.654 8.367 1.00 1.54 H new ATOM 289 N GLU A 20 10.516 4.245 9.010 1.00 1.53 N ATOM 290 CA GLU A 20 10.240 5.640 8.727 1.00 1.66 C ATOM 291 C GLU A 20 11.455 6.404 8.220 1.00 1.69 C ATOM 292 O GLU A 20 12.400 6.685 8.971 1.00 2.04 O ATOM 293 CB GLU A 20 9.563 6.321 9.905 1.00 2.11 C ATOM 294 CG GLU A 20 8.183 5.756 10.191 1.00 2.61 C ATOM 295 CD GLU A 20 7.516 6.411 11.360 1.00 3.24 C ATOM 296 OE1 GLU A 20 6.912 7.490 11.182 1.00 3.36 O ATOM 297 OE2 GLU A 20 7.565 5.863 12.475 1.00 3.97 O ATOM 0 H GLU A 20 10.379 3.980 9.985 1.00 1.53 H new ATOM 0 HA GLU A 20 9.533 5.656 7.898 1.00 1.66 H new ATOM 0 HB2 GLU A 20 10.188 6.211 10.792 1.00 2.11 H new ATOM 0 HB3 GLU A 20 9.480 7.389 9.704 1.00 2.11 H new ATOM 0 HG2 GLU A 20 7.556 5.876 9.307 1.00 2.61 H new ATOM 0 HG3 GLU A 20 8.266 4.686 10.379 1.00 2.61 H new ATOM 304 N THR A 21 11.421 6.697 6.920 1.00 1.88 N ATOM 305 CA THR A 21 12.487 7.373 6.208 1.00 2.20 C ATOM 306 C THR A 21 13.785 6.546 6.312 1.00 2.10 C ATOM 307 O THR A 21 14.903 7.055 6.414 1.00 2.75 O ATOM 308 CB THR A 21 12.644 8.846 6.682 1.00 2.92 C ATOM 309 OG1 THR A 21 11.326 9.449 6.671 1.00 3.25 O ATOM 310 CG2 THR A 21 13.532 9.651 5.729 1.00 3.47 C ATOM 0 H THR A 21 10.627 6.461 6.324 1.00 1.88 H new ATOM 0 HA THR A 21 12.234 7.441 5.150 1.00 2.20 H new ATOM 0 HB THR A 21 13.100 8.852 7.672 1.00 2.92 H new ATOM 0 HG1 THR A 21 11.390 10.381 6.967 1.00 3.25 H new ATOM 0 HG21 THR A 21 13.620 10.675 6.091 1.00 3.47 H new ATOM 0 HG22 THR A 21 14.522 9.197 5.683 1.00 3.47 H new ATOM 0 HG23 THR A 21 13.088 9.655 4.734 1.00 3.47 H new ATOM 318 N ASP A 22 13.596 5.252 6.252 1.00 1.66 N ATOM 319 CA ASP A 22 14.680 4.315 6.217 1.00 1.92 C ATOM 320 C ASP A 22 14.473 3.429 5.016 1.00 2.00 C ATOM 321 O ASP A 22 13.877 2.361 5.098 1.00 2.52 O ATOM 322 CB ASP A 22 14.789 3.501 7.519 1.00 2.44 C ATOM 323 CG ASP A 22 15.947 2.520 7.507 1.00 3.14 C ATOM 324 OD1 ASP A 22 17.119 2.962 7.504 1.00 3.81 O ATOM 325 OD2 ASP A 22 15.709 1.292 7.508 1.00 3.47 O ATOM 0 H ASP A 22 12.673 4.819 6.226 1.00 1.66 H new ATOM 0 HA ASP A 22 15.627 4.848 6.133 1.00 1.92 H new ATOM 0 HB2 ASP A 22 14.907 4.184 8.360 1.00 2.44 H new ATOM 0 HB3 ASP A 22 13.859 2.956 7.680 1.00 2.44 H new ATOM 330 N GLY A 23 14.795 3.991 3.880 1.00 1.96 N ATOM 331 CA GLY A 23 14.659 3.319 2.614 1.00 2.29 C ATOM 332 C GLY A 23 13.401 3.779 1.917 1.00 1.79 C ATOM 333 O GLY A 23 13.264 3.687 0.695 1.00 2.14 O ATOM 0 H GLY A 23 15.163 4.939 3.807 1.00 1.96 H new ATOM 0 HA2 GLY A 23 15.527 3.525 1.988 1.00 2.29 H new ATOM 0 HA3 GLY A 23 14.626 2.240 2.767 1.00 2.29 H new ATOM 337 N THR A 24 12.516 4.343 2.694 1.00 1.42 N ATOM 338 CA THR A 24 11.233 4.741 2.238 1.00 1.57 C ATOM 339 C THR A 24 11.173 6.214 1.853 1.00 1.79 C ATOM 340 O THR A 24 10.832 7.087 2.661 1.00 2.50 O ATOM 341 CB THR A 24 10.179 4.397 3.294 1.00 2.00 C ATOM 342 OG1 THR A 24 10.607 4.875 4.590 1.00 2.76 O ATOM 343 CG2 THR A 24 9.982 2.897 3.340 1.00 2.01 C ATOM 0 H THR A 24 12.681 4.538 3.681 1.00 1.42 H new ATOM 0 HA THR A 24 11.020 4.185 1.325 1.00 1.57 H new ATOM 0 HB THR A 24 9.236 4.878 3.033 1.00 2.00 H new ATOM 0 HG1 THR A 24 10.681 4.119 5.209 1.00 2.76 H new ATOM 0 HG21 THR A 24 9.232 2.651 4.092 1.00 2.01 H new ATOM 0 HG22 THR A 24 9.648 2.544 2.365 1.00 2.01 H new ATOM 0 HG23 THR A 24 10.925 2.414 3.597 1.00 2.01 H new ATOM 351 N ASP A 25 11.604 6.494 0.656 1.00 1.60 N ATOM 352 CA ASP A 25 11.492 7.819 0.102 1.00 1.91 C ATOM 353 C ASP A 25 10.380 7.823 -0.906 1.00 1.36 C ATOM 354 O ASP A 25 10.569 7.435 -2.051 1.00 1.34 O ATOM 355 CB ASP A 25 12.800 8.306 -0.544 1.00 2.62 C ATOM 356 CG ASP A 25 13.906 8.548 0.451 1.00 3.27 C ATOM 357 OD1 ASP A 25 14.677 7.608 0.750 1.00 3.69 O ATOM 358 OD2 ASP A 25 14.038 9.693 0.947 1.00 3.79 O ATOM 0 H ASP A 25 12.043 5.814 0.035 1.00 1.60 H new ATOM 0 HA ASP A 25 11.276 8.511 0.916 1.00 1.91 H new ATOM 0 HB2 ASP A 25 13.133 7.568 -1.273 1.00 2.62 H new ATOM 0 HB3 ASP A 25 12.605 9.229 -1.091 1.00 2.62 H new ATOM 363 N LEU A 26 9.207 8.175 -0.459 1.00 1.18 N ATOM 364 CA LEU A 26 8.034 8.221 -1.312 1.00 0.83 C ATOM 365 C LEU A 26 7.469 9.636 -1.278 1.00 0.82 C ATOM 366 O LEU A 26 6.328 9.864 -1.642 1.00 0.85 O ATOM 367 CB LEU A 26 6.923 7.230 -0.829 1.00 1.19 C ATOM 368 CG LEU A 26 7.230 5.709 -0.755 1.00 0.80 C ATOM 369 CD1 LEU A 26 7.901 5.185 -2.007 1.00 0.94 C ATOM 370 CD2 LEU A 26 7.997 5.333 0.498 1.00 0.87 C ATOM 0 H LEU A 26 9.028 8.441 0.509 1.00 1.18 H new ATOM 0 HA LEU A 26 8.333 7.932 -2.320 1.00 0.83 H new ATOM 0 HB2 LEU A 26 6.612 7.549 0.166 1.00 1.19 H new ATOM 0 HB3 LEU A 26 6.064 7.357 -1.487 1.00 1.19 H new ATOM 0 HG LEU A 26 6.262 5.213 -0.693 1.00 0.80 H new ATOM 0 HD11 LEU A 26 8.091 4.117 -1.898 1.00 0.94 H new ATOM 0 HD12 LEU A 26 7.250 5.352 -2.866 1.00 0.94 H new ATOM 0 HD13 LEU A 26 8.845 5.708 -2.160 1.00 0.94 H new ATOM 0 HD21 LEU A 26 8.186 4.259 0.501 1.00 0.87 H new ATOM 0 HD22 LEU A 26 8.946 5.868 0.518 1.00 0.87 H new ATOM 0 HD23 LEU A 26 7.411 5.600 1.377 1.00 0.87 H new ATOM 382 N SER A 27 8.310 10.587 -0.903 1.00 0.91 N ATOM 383 CA SER A 27 7.918 11.983 -0.669 1.00 0.99 C ATOM 384 C SER A 27 7.707 12.802 -1.978 1.00 1.04 C ATOM 385 O SER A 27 7.938 14.017 -2.018 1.00 1.44 O ATOM 386 CB SER A 27 8.966 12.623 0.207 1.00 1.16 C ATOM 387 OG SER A 27 9.173 11.858 1.406 1.00 1.55 O ATOM 0 H SER A 27 9.303 10.415 -0.748 1.00 0.91 H new ATOM 0 HA SER A 27 6.946 11.984 -0.176 1.00 0.99 H new ATOM 0 HB2 SER A 27 9.904 12.705 -0.343 1.00 1.16 H new ATOM 0 HB3 SER A 27 8.659 13.636 0.466 1.00 1.16 H new ATOM 0 HG SER A 27 9.858 12.292 1.957 1.00 1.55 H new ATOM 393 N GLY A 28 7.221 12.138 -2.993 1.00 1.36 N ATOM 394 CA GLY A 28 6.904 12.742 -4.262 1.00 1.53 C ATOM 395 C GLY A 28 5.869 11.883 -4.926 1.00 1.44 C ATOM 396 O GLY A 28 4.911 11.445 -4.261 1.00 2.11 O ATOM 0 H GLY A 28 7.029 11.137 -2.960 1.00 1.36 H new ATOM 0 HA2 GLY A 28 6.528 13.755 -4.121 1.00 1.53 H new ATOM 0 HA3 GLY A 28 7.796 12.817 -4.884 1.00 1.53 H new ATOM 400 N ASP A 29 6.004 11.619 -6.189 1.00 1.11 N ATOM 401 CA ASP A 29 5.138 10.646 -6.790 1.00 1.05 C ATOM 402 C ASP A 29 5.858 9.339 -6.756 1.00 0.88 C ATOM 403 O ASP A 29 7.052 9.264 -7.074 1.00 1.07 O ATOM 404 CB ASP A 29 4.728 10.989 -8.210 1.00 1.32 C ATOM 405 CG ASP A 29 3.697 10.017 -8.734 1.00 1.67 C ATOM 406 OD1 ASP A 29 2.491 10.240 -8.516 1.00 2.27 O ATOM 407 OD2 ASP A 29 4.067 9.025 -9.377 1.00 2.12 O ATOM 0 H ASP A 29 6.687 12.050 -6.813 1.00 1.11 H new ATOM 0 HA ASP A 29 4.206 10.613 -6.226 1.00 1.05 H new ATOM 0 HB2 ASP A 29 4.325 12.001 -8.240 1.00 1.32 H new ATOM 0 HB3 ASP A 29 5.605 10.976 -8.857 1.00 1.32 H new ATOM 412 N PHE A 30 5.184 8.327 -6.351 1.00 0.67 N ATOM 413 CA PHE A 30 5.814 7.056 -6.154 1.00 0.55 C ATOM 414 C PHE A 30 5.018 5.945 -6.799 1.00 0.42 C ATOM 415 O PHE A 30 5.187 4.782 -6.478 1.00 0.41 O ATOM 416 CB PHE A 30 6.005 6.810 -4.643 1.00 0.56 C ATOM 417 CG PHE A 30 4.741 6.861 -3.814 1.00 0.54 C ATOM 418 CD1 PHE A 30 4.191 8.074 -3.428 1.00 0.68 C ATOM 419 CD2 PHE A 30 4.116 5.697 -3.421 1.00 0.52 C ATOM 420 CE1 PHE A 30 3.046 8.117 -2.674 1.00 0.74 C ATOM 421 CE2 PHE A 30 2.969 5.735 -2.666 1.00 0.60 C ATOM 422 CZ PHE A 30 2.433 6.944 -2.292 1.00 0.69 C ATOM 0 H PHE A 30 4.185 8.346 -6.145 1.00 0.67 H new ATOM 0 HA PHE A 30 6.792 7.064 -6.636 1.00 0.55 H new ATOM 0 HB2 PHE A 30 6.470 5.834 -4.507 1.00 0.56 H new ATOM 0 HB3 PHE A 30 6.703 7.552 -4.256 1.00 0.56 H new ATOM 0 HD1 PHE A 30 4.670 8.996 -3.724 1.00 0.68 H new ATOM 0 HD2 PHE A 30 4.533 4.744 -3.710 1.00 0.52 H new ATOM 0 HE1 PHE A 30 2.626 9.068 -2.381 1.00 0.74 H new ATOM 0 HE2 PHE A 30 2.489 4.815 -2.366 1.00 0.60 H new ATOM 0 HZ PHE A 30 1.531 6.974 -1.699 1.00 0.69 H new ATOM 432 N LEU A 31 4.196 6.288 -7.755 1.00 0.39 N ATOM 433 CA LEU A 31 3.340 5.290 -8.361 1.00 0.35 C ATOM 434 C LEU A 31 4.022 4.532 -9.486 1.00 0.38 C ATOM 435 O LEU A 31 3.579 3.454 -9.862 1.00 0.50 O ATOM 436 CB LEU A 31 1.970 5.844 -8.786 1.00 0.39 C ATOM 437 CG LEU A 31 0.969 6.156 -7.652 1.00 0.54 C ATOM 438 CD1 LEU A 31 1.426 7.312 -6.774 1.00 1.17 C ATOM 439 CD2 LEU A 31 -0.409 6.417 -8.217 1.00 1.45 C ATOM 0 H LEU A 31 4.097 7.232 -8.129 1.00 0.39 H new ATOM 0 HA LEU A 31 3.143 4.564 -7.572 1.00 0.35 H new ATOM 0 HB2 LEU A 31 2.134 6.758 -9.357 1.00 0.39 H new ATOM 0 HB3 LEU A 31 1.506 5.125 -9.462 1.00 0.39 H new ATOM 0 HG LEU A 31 0.924 5.275 -7.011 1.00 0.54 H new ATOM 0 HD11 LEU A 31 0.687 7.490 -5.993 1.00 1.17 H new ATOM 0 HD12 LEU A 31 2.384 7.065 -6.317 1.00 1.17 H new ATOM 0 HD13 LEU A 31 1.535 8.210 -7.382 1.00 1.17 H new ATOM 0 HD21 LEU A 31 -1.101 6.635 -7.403 1.00 1.45 H new ATOM 0 HD22 LEU A 31 -0.368 7.268 -8.897 1.00 1.45 H new ATOM 0 HD23 LEU A 31 -0.753 5.536 -8.759 1.00 1.45 H new ATOM 451 N ASP A 32 5.121 5.065 -9.994 1.00 0.44 N ATOM 452 CA ASP A 32 5.861 4.374 -11.057 1.00 0.57 C ATOM 453 C ASP A 32 6.957 3.536 -10.469 1.00 0.48 C ATOM 454 O ASP A 32 7.704 2.871 -11.182 1.00 0.54 O ATOM 455 CB ASP A 32 6.452 5.335 -12.101 1.00 0.84 C ATOM 456 CG ASP A 32 5.411 6.015 -12.939 1.00 1.69 C ATOM 457 OD1 ASP A 32 4.913 5.403 -13.895 1.00 2.45 O ATOM 458 OD2 ASP A 32 5.056 7.191 -12.654 1.00 2.24 O ATOM 0 H ASP A 32 5.521 5.956 -9.700 1.00 0.44 H new ATOM 0 HA ASP A 32 5.140 3.740 -11.573 1.00 0.57 H new ATOM 0 HB2 ASP A 32 7.049 6.091 -11.591 1.00 0.84 H new ATOM 0 HB3 ASP A 32 7.128 4.781 -12.753 1.00 0.84 H new ATOM 463 N LEU A 33 7.048 3.563 -9.164 1.00 0.43 N ATOM 464 CA LEU A 33 8.049 2.813 -8.442 1.00 0.40 C ATOM 465 C LEU A 33 7.606 1.373 -8.312 1.00 0.33 C ATOM 466 O LEU A 33 6.455 1.061 -8.556 1.00 0.36 O ATOM 467 CB LEU A 33 8.241 3.391 -7.047 1.00 0.44 C ATOM 468 CG LEU A 33 8.662 4.866 -6.957 1.00 0.57 C ATOM 469 CD1 LEU A 33 9.001 5.224 -5.527 1.00 0.67 C ATOM 470 CD2 LEU A 33 9.831 5.182 -7.876 1.00 0.71 C ATOM 0 H LEU A 33 6.427 4.109 -8.567 1.00 0.43 H new ATOM 0 HA LEU A 33 8.989 2.871 -8.991 1.00 0.40 H new ATOM 0 HB2 LEU A 33 7.307 3.271 -6.499 1.00 0.44 H new ATOM 0 HB3 LEU A 33 8.992 2.792 -6.532 1.00 0.44 H new ATOM 0 HG LEU A 33 7.818 5.471 -7.288 1.00 0.57 H new ATOM 0 HD11 LEU A 33 9.298 6.271 -5.475 1.00 0.67 H new ATOM 0 HD12 LEU A 33 8.128 5.062 -4.895 1.00 0.67 H new ATOM 0 HD13 LEU A 33 9.822 4.596 -5.180 1.00 0.67 H new ATOM 0 HD21 LEU A 33 10.095 6.235 -7.780 1.00 0.71 H new ATOM 0 HD22 LEU A 33 10.687 4.567 -7.600 1.00 0.71 H new ATOM 0 HD23 LEU A 33 9.550 4.971 -8.908 1.00 0.71 H new ATOM 482 N ARG A 34 8.498 0.506 -7.921 1.00 0.31 N ATOM 483 CA ARG A 34 8.147 -0.886 -7.720 1.00 0.32 C ATOM 484 C ARG A 34 8.536 -1.330 -6.325 1.00 0.36 C ATOM 485 O ARG A 34 9.462 -0.774 -5.725 1.00 0.48 O ATOM 486 CB ARG A 34 8.771 -1.803 -8.781 1.00 0.43 C ATOM 487 CG ARG A 34 8.284 -1.531 -10.203 1.00 0.59 C ATOM 488 CD ARG A 34 8.729 -2.621 -11.169 1.00 0.89 C ATOM 489 NE ARG A 34 10.187 -2.746 -11.259 1.00 1.94 N ATOM 490 CZ ARG A 34 10.868 -3.888 -11.062 1.00 2.65 C ATOM 491 NH1 ARG A 34 10.220 -4.990 -10.675 1.00 2.65 N ATOM 492 NH2 ARG A 34 12.190 -3.927 -11.259 1.00 3.76 N ATOM 0 H ARG A 34 9.475 0.731 -7.733 1.00 0.31 H new ATOM 0 HA ARG A 34 7.066 -0.969 -7.829 1.00 0.32 H new ATOM 0 HB2 ARG A 34 9.855 -1.690 -8.752 1.00 0.43 H new ATOM 0 HB3 ARG A 34 8.551 -2.839 -8.525 1.00 0.43 H new ATOM 0 HG2 ARG A 34 7.196 -1.462 -10.208 1.00 0.59 H new ATOM 0 HG3 ARG A 34 8.666 -0.568 -10.540 1.00 0.59 H new ATOM 0 HD2 ARG A 34 8.307 -3.575 -10.852 1.00 0.89 H new ATOM 0 HD3 ARG A 34 8.326 -2.408 -12.159 1.00 0.89 H new ATOM 0 HE ARG A 34 10.722 -1.908 -11.487 1.00 1.94 H new ATOM 0 HH11 ARG A 34 9.211 -4.964 -10.530 1.00 2.65 H new ATOM 0 HH12 ARG A 34 10.734 -5.858 -10.525 1.00 2.65 H new ATOM 0 HH21 ARG A 34 12.686 -3.088 -11.560 1.00 3.76 H new ATOM 0 HH22 ARG A 34 12.703 -4.796 -11.108 1.00 3.76 H new ATOM 506 N PHE A 35 7.842 -2.321 -5.806 1.00 0.35 N ATOM 507 CA PHE A 35 8.094 -2.806 -4.460 1.00 0.41 C ATOM 508 C PHE A 35 9.390 -3.576 -4.341 1.00 0.48 C ATOM 509 O PHE A 35 9.994 -3.599 -3.268 1.00 0.54 O ATOM 510 CB PHE A 35 6.922 -3.597 -3.891 1.00 0.41 C ATOM 511 CG PHE A 35 5.735 -2.742 -3.588 1.00 0.39 C ATOM 512 CD1 PHE A 35 5.837 -1.708 -2.683 1.00 0.40 C ATOM 513 CD2 PHE A 35 4.527 -2.968 -4.193 1.00 0.42 C ATOM 514 CE1 PHE A 35 4.759 -0.917 -2.390 1.00 0.44 C ATOM 515 CE2 PHE A 35 3.442 -2.181 -3.906 1.00 0.46 C ATOM 516 CZ PHE A 35 3.560 -1.151 -3.005 1.00 0.46 C ATOM 0 H PHE A 35 7.094 -2.811 -6.297 1.00 0.35 H new ATOM 0 HA PHE A 35 8.204 -1.911 -3.848 1.00 0.41 H new ATOM 0 HB2 PHE A 35 6.634 -4.371 -4.602 1.00 0.41 H new ATOM 0 HB3 PHE A 35 7.240 -4.104 -2.980 1.00 0.41 H new ATOM 0 HD1 PHE A 35 6.783 -1.519 -2.197 1.00 0.40 H new ATOM 0 HD2 PHE A 35 4.428 -3.775 -4.904 1.00 0.42 H new ATOM 0 HE1 PHE A 35 4.855 -0.112 -1.677 1.00 0.44 H new ATOM 0 HE2 PHE A 35 2.494 -2.371 -4.388 1.00 0.46 H new ATOM 0 HZ PHE A 35 2.707 -0.527 -2.783 1.00 0.46 H new ATOM 526 N GLU A 36 9.827 -4.193 -5.428 1.00 0.56 N ATOM 527 CA GLU A 36 11.118 -4.876 -5.434 1.00 0.70 C ATOM 528 C GLU A 36 12.232 -3.855 -5.187 1.00 0.69 C ATOM 529 O GLU A 36 13.222 -4.136 -4.505 1.00 0.80 O ATOM 530 CB GLU A 36 11.347 -5.597 -6.761 1.00 0.88 C ATOM 531 CG GLU A 36 10.285 -6.634 -7.103 1.00 1.65 C ATOM 532 CD GLU A 36 10.166 -7.739 -6.082 1.00 2.01 C ATOM 533 OE1 GLU A 36 9.426 -7.590 -5.109 1.00 2.26 O ATOM 534 OE2 GLU A 36 10.798 -8.796 -6.258 1.00 2.71 O ATOM 0 H GLU A 36 9.316 -4.237 -6.310 1.00 0.56 H new ATOM 0 HA GLU A 36 11.125 -5.623 -4.641 1.00 0.70 H new ATOM 0 HB2 GLU A 36 11.387 -4.857 -7.561 1.00 0.88 H new ATOM 0 HB3 GLU A 36 12.320 -6.087 -6.732 1.00 0.88 H new ATOM 0 HG2 GLU A 36 9.321 -6.135 -7.200 1.00 1.65 H new ATOM 0 HG3 GLU A 36 10.516 -7.072 -8.074 1.00 1.65 H new ATOM 541 N ASP A 37 12.025 -2.656 -5.715 1.00 0.67 N ATOM 542 CA ASP A 37 12.944 -1.538 -5.543 1.00 0.76 C ATOM 543 C ASP A 37 12.964 -1.059 -4.111 1.00 0.72 C ATOM 544 O ASP A 37 14.026 -0.919 -3.510 1.00 0.87 O ATOM 545 CB ASP A 37 12.556 -0.359 -6.439 1.00 0.88 C ATOM 546 CG ASP A 37 12.947 -0.501 -7.887 1.00 1.13 C ATOM 547 OD1 ASP A 37 12.509 -1.487 -8.529 1.00 1.43 O ATOM 548 OD2 ASP A 37 13.730 0.304 -8.390 1.00 1.61 O ATOM 0 H ASP A 37 11.207 -2.430 -6.280 1.00 0.67 H new ATOM 0 HA ASP A 37 13.933 -1.902 -5.821 1.00 0.76 H new ATOM 0 HB2 ASP A 37 11.476 -0.219 -6.382 1.00 0.88 H new ATOM 0 HB3 ASP A 37 13.016 0.546 -6.042 1.00 0.88 H new ATOM 553 N ILE A 38 11.795 -0.836 -3.540 1.00 0.59 N ATOM 554 CA ILE A 38 11.715 -0.293 -2.184 1.00 0.62 C ATOM 555 C ILE A 38 11.726 -1.354 -1.084 1.00 0.60 C ATOM 556 O ILE A 38 11.458 -1.049 0.079 1.00 0.66 O ATOM 557 CB ILE A 38 10.551 0.713 -1.987 1.00 0.61 C ATOM 558 CG1 ILE A 38 9.196 0.071 -2.323 1.00 0.52 C ATOM 559 CG2 ILE A 38 10.794 1.958 -2.836 1.00 0.70 C ATOM 560 CD1 ILE A 38 8.011 0.993 -2.105 1.00 0.57 C ATOM 0 H ILE A 38 10.894 -1.018 -3.982 1.00 0.59 H new ATOM 0 HA ILE A 38 12.643 0.269 -2.076 1.00 0.62 H new ATOM 0 HB ILE A 38 10.519 1.005 -0.937 1.00 0.61 H new ATOM 0 HG12 ILE A 38 9.206 -0.253 -3.364 1.00 0.52 H new ATOM 0 HG13 ILE A 38 9.066 -0.823 -1.712 1.00 0.52 H new ATOM 0 HG21 ILE A 38 9.973 2.661 -2.694 1.00 0.70 H new ATOM 0 HG22 ILE A 38 11.730 2.427 -2.534 1.00 0.70 H new ATOM 0 HG23 ILE A 38 10.852 1.676 -3.887 1.00 0.70 H new ATOM 0 HD11 ILE A 38 7.090 0.470 -2.363 1.00 0.57 H new ATOM 0 HD12 ILE A 38 7.974 1.297 -1.059 1.00 0.57 H new ATOM 0 HD13 ILE A 38 8.116 1.876 -2.736 1.00 0.57 H new ATOM 572 N GLY A 39 12.122 -2.563 -1.445 1.00 0.57 N ATOM 573 CA GLY A 39 12.289 -3.632 -0.477 1.00 0.58 C ATOM 574 C GLY A 39 10.994 -4.059 0.177 1.00 0.50 C ATOM 575 O GLY A 39 10.903 -4.115 1.402 1.00 0.57 O ATOM 0 H GLY A 39 12.335 -2.829 -2.407 1.00 0.57 H new ATOM 0 HA2 GLY A 39 12.738 -4.493 -0.972 1.00 0.58 H new ATOM 0 HA3 GLY A 39 12.987 -3.307 0.295 1.00 0.58 H new ATOM 579 N TYR A 40 9.996 -4.333 -0.614 1.00 0.43 N ATOM 580 CA TYR A 40 8.708 -4.742 -0.102 1.00 0.41 C ATOM 581 C TYR A 40 8.272 -6.098 -0.612 1.00 0.45 C ATOM 582 O TYR A 40 7.989 -6.273 -1.804 1.00 0.67 O ATOM 583 CB TYR A 40 7.639 -3.699 -0.401 1.00 0.44 C ATOM 584 CG TYR A 40 7.361 -2.764 0.741 1.00 0.49 C ATOM 585 CD1 TYR A 40 8.188 -1.680 0.955 1.00 0.66 C ATOM 586 CD2 TYR A 40 6.281 -2.944 1.589 1.00 0.61 C ATOM 587 CE1 TYR A 40 7.958 -0.797 1.969 1.00 0.88 C ATOM 588 CE2 TYR A 40 6.043 -2.060 2.620 1.00 0.86 C ATOM 589 CZ TYR A 40 6.810 -1.110 2.882 1.00 0.98 C ATOM 590 OH TYR A 40 6.658 -0.083 3.801 1.00 1.26 O ATOM 0 H TYR A 40 10.046 -4.281 -1.631 1.00 0.43 H new ATOM 0 HA TYR A 40 8.828 -4.829 0.978 1.00 0.41 H new ATOM 0 HB2 TYR A 40 7.948 -3.115 -1.268 1.00 0.44 H new ATOM 0 HB3 TYR A 40 6.715 -4.209 -0.673 1.00 0.44 H new ATOM 0 HD1 TYR A 40 9.037 -1.527 0.305 1.00 0.66 H new ATOM 0 HD2 TYR A 40 5.619 -3.785 1.441 1.00 0.61 H new ATOM 0 HE1 TYR A 40 8.571 0.082 2.107 1.00 0.88 H new ATOM 0 HE2 TYR A 40 5.158 -2.194 3.225 1.00 0.86 H new ATOM 0 HH TYR A 40 6.896 0.770 3.381 1.00 1.26 H new ATOM 600 N ASP A 41 8.275 -7.069 0.274 1.00 0.48 N ATOM 601 CA ASP A 41 7.735 -8.384 -0.028 1.00 0.59 C ATOM 602 C ASP A 41 6.252 -8.400 0.331 1.00 0.45 C ATOM 603 O ASP A 41 5.718 -7.399 0.826 1.00 0.39 O ATOM 604 CB ASP A 41 8.492 -9.540 0.698 1.00 0.85 C ATOM 605 CG ASP A 41 8.372 -9.541 2.220 1.00 1.50 C ATOM 606 OD1 ASP A 41 7.299 -9.874 2.748 1.00 2.11 O ATOM 607 OD2 ASP A 41 9.377 -9.271 2.914 1.00 2.01 O ATOM 0 H ASP A 41 8.648 -6.975 1.219 1.00 0.48 H new ATOM 0 HA ASP A 41 7.870 -8.565 -1.094 1.00 0.59 H new ATOM 0 HB2 ASP A 41 8.118 -10.491 0.320 1.00 0.85 H new ATOM 0 HB3 ASP A 41 9.548 -9.484 0.433 1.00 0.85 H new ATOM 612 N SER A 42 5.605 -9.511 0.110 1.00 0.45 N ATOM 613 CA SER A 42 4.182 -9.644 0.336 1.00 0.41 C ATOM 614 C SER A 42 3.770 -9.442 1.803 1.00 0.33 C ATOM 615 O SER A 42 2.768 -8.797 2.077 1.00 0.30 O ATOM 616 CB SER A 42 3.748 -10.984 -0.158 1.00 0.50 C ATOM 617 OG SER A 42 4.675 -11.977 0.360 1.00 0.71 O ATOM 0 H SER A 42 6.050 -10.361 -0.236 1.00 0.45 H new ATOM 0 HA SER A 42 3.681 -8.848 -0.215 1.00 0.41 H new ATOM 0 HB2 SER A 42 2.733 -11.201 0.173 1.00 0.50 H new ATOM 0 HB3 SER A 42 3.739 -11.003 -1.248 1.00 0.50 H new ATOM 0 HG SER A 42 4.408 -12.867 0.049 1.00 0.71 H new ATOM 622 N LEU A 43 4.564 -9.947 2.738 1.00 0.35 N ATOM 623 CA LEU A 43 4.242 -9.825 4.158 1.00 0.37 C ATOM 624 C LEU A 43 4.455 -8.389 4.593 1.00 0.33 C ATOM 625 O LEU A 43 3.790 -7.878 5.503 1.00 0.38 O ATOM 626 CB LEU A 43 5.106 -10.757 5.003 1.00 0.49 C ATOM 627 CG LEU A 43 4.809 -10.778 6.500 1.00 0.63 C ATOM 628 CD1 LEU A 43 3.441 -11.379 6.776 1.00 1.02 C ATOM 629 CD2 LEU A 43 5.893 -11.522 7.244 1.00 1.03 C ATOM 0 H LEU A 43 5.433 -10.444 2.542 1.00 0.35 H new ATOM 0 HA LEU A 43 3.200 -10.110 4.305 1.00 0.37 H new ATOM 0 HB2 LEU A 43 4.995 -11.770 4.617 1.00 0.49 H new ATOM 0 HB3 LEU A 43 6.150 -10.476 4.865 1.00 0.49 H new ATOM 0 HG LEU A 43 4.795 -9.750 6.861 1.00 0.63 H new ATOM 0 HD11 LEU A 43 3.255 -11.382 7.850 1.00 1.02 H new ATOM 0 HD12 LEU A 43 2.675 -10.785 6.277 1.00 1.02 H new ATOM 0 HD13 LEU A 43 3.410 -12.402 6.400 1.00 1.02 H new ATOM 0 HD21 LEU A 43 5.665 -11.527 8.310 1.00 1.03 H new ATOM 0 HD22 LEU A 43 5.946 -12.548 6.879 1.00 1.03 H new ATOM 0 HD23 LEU A 43 6.851 -11.029 7.080 1.00 1.03 H new ATOM 641 N ALA A 44 5.377 -7.737 3.931 1.00 0.33 N ATOM 642 CA ALA A 44 5.616 -6.337 4.156 1.00 0.37 C ATOM 643 C ALA A 44 4.403 -5.543 3.668 1.00 0.31 C ATOM 644 O ALA A 44 3.949 -4.625 4.326 1.00 0.35 O ATOM 645 CB ALA A 44 6.881 -5.897 3.452 1.00 0.46 C ATOM 0 H ALA A 44 5.979 -8.160 3.225 1.00 0.33 H new ATOM 0 HA ALA A 44 5.755 -6.152 5.221 1.00 0.37 H new ATOM 0 HB1 ALA A 44 7.047 -4.835 3.632 1.00 0.46 H new ATOM 0 HB2 ALA A 44 7.728 -6.467 3.835 1.00 0.46 H new ATOM 0 HB3 ALA A 44 6.781 -6.072 2.381 1.00 0.46 H new ATOM 651 N LEU A 45 3.858 -5.962 2.535 1.00 0.26 N ATOM 652 CA LEU A 45 2.665 -5.347 1.965 1.00 0.25 C ATOM 653 C LEU A 45 1.439 -5.602 2.832 1.00 0.28 C ATOM 654 O LEU A 45 0.530 -4.778 2.884 1.00 0.29 O ATOM 655 CB LEU A 45 2.431 -5.828 0.533 1.00 0.28 C ATOM 656 CG LEU A 45 3.498 -5.410 -0.472 1.00 0.34 C ATOM 657 CD1 LEU A 45 3.196 -5.982 -1.838 1.00 0.39 C ATOM 658 CD2 LEU A 45 3.578 -3.902 -0.543 1.00 0.40 C ATOM 0 H LEU A 45 4.229 -6.737 1.985 1.00 0.26 H new ATOM 0 HA LEU A 45 2.832 -4.270 1.937 1.00 0.25 H new ATOM 0 HB2 LEU A 45 2.365 -6.916 0.538 1.00 0.28 H new ATOM 0 HB3 LEU A 45 1.466 -5.452 0.193 1.00 0.28 H new ATOM 0 HG LEU A 45 4.460 -5.802 -0.141 1.00 0.34 H new ATOM 0 HD11 LEU A 45 3.969 -5.672 -2.541 1.00 0.39 H new ATOM 0 HD12 LEU A 45 3.173 -7.070 -1.780 1.00 0.39 H new ATOM 0 HD13 LEU A 45 2.227 -5.617 -2.179 1.00 0.39 H new ATOM 0 HD21 LEU A 45 4.343 -3.612 -1.263 1.00 0.40 H new ATOM 0 HD22 LEU A 45 2.614 -3.501 -0.856 1.00 0.40 H new ATOM 0 HD23 LEU A 45 3.835 -3.505 0.439 1.00 0.40 H new ATOM 670 N MET A 46 1.419 -6.740 3.516 1.00 0.34 N ATOM 671 CA MET A 46 0.341 -7.063 4.462 1.00 0.44 C ATOM 672 C MET A 46 0.362 -6.073 5.591 1.00 0.40 C ATOM 673 O MET A 46 -0.671 -5.589 6.038 1.00 0.45 O ATOM 674 CB MET A 46 0.532 -8.452 5.065 1.00 0.71 C ATOM 675 CG MET A 46 0.532 -9.571 4.070 1.00 0.38 C ATOM 676 SD MET A 46 -1.010 -9.686 3.154 1.00 1.64 S ATOM 677 CE MET A 46 -2.173 -9.920 4.495 1.00 2.26 C ATOM 0 H MET A 46 2.136 -7.461 3.437 1.00 0.34 H new ATOM 0 HA MET A 46 -0.603 -7.029 3.917 1.00 0.44 H new ATOM 0 HB2 MET A 46 1.475 -8.470 5.611 1.00 0.71 H new ATOM 0 HB3 MET A 46 -0.261 -8.630 5.792 1.00 0.71 H new ATOM 0 HG2 MET A 46 1.356 -9.429 3.370 1.00 0.38 H new ATOM 0 HG3 MET A 46 0.713 -10.513 4.589 1.00 0.38 H new ATOM 0 HE1 MET A 46 -3.106 -10.322 4.101 1.00 2.26 H new ATOM 0 HE2 MET A 46 -1.755 -10.617 5.221 1.00 2.26 H new ATOM 0 HE3 MET A 46 -2.366 -8.963 4.980 1.00 2.26 H new ATOM 687 N GLU A 47 1.564 -5.754 5.999 1.00 0.40 N ATOM 688 CA GLU A 47 1.841 -4.868 7.098 1.00 0.46 C ATOM 689 C GLU A 47 1.378 -3.440 6.736 1.00 0.43 C ATOM 690 O GLU A 47 0.997 -2.648 7.600 1.00 0.53 O ATOM 691 CB GLU A 47 3.348 -4.940 7.353 1.00 0.54 C ATOM 692 CG GLU A 47 3.815 -4.415 8.687 1.00 1.22 C ATOM 693 CD GLU A 47 3.154 -5.125 9.834 1.00 1.77 C ATOM 694 OE1 GLU A 47 3.371 -6.342 9.989 1.00 2.46 O ATOM 695 OE2 GLU A 47 2.426 -4.470 10.631 1.00 2.22 O ATOM 0 H GLU A 47 2.408 -6.119 5.557 1.00 0.40 H new ATOM 0 HA GLU A 47 1.305 -5.153 8.003 1.00 0.46 H new ATOM 0 HB2 GLU A 47 3.663 -5.980 7.263 1.00 0.54 H new ATOM 0 HB3 GLU A 47 3.857 -4.383 6.566 1.00 0.54 H new ATOM 0 HG2 GLU A 47 4.896 -4.531 8.764 1.00 1.22 H new ATOM 0 HG3 GLU A 47 3.603 -3.348 8.751 1.00 1.22 H new ATOM 702 N THR A 48 1.413 -3.144 5.458 1.00 0.33 N ATOM 703 CA THR A 48 0.930 -1.899 4.922 1.00 0.33 C ATOM 704 C THR A 48 -0.620 -1.943 4.836 1.00 0.31 C ATOM 705 O THR A 48 -1.326 -1.126 5.461 1.00 0.36 O ATOM 706 CB THR A 48 1.501 -1.731 3.496 1.00 0.32 C ATOM 707 OG1 THR A 48 2.916 -1.922 3.522 1.00 0.37 O ATOM 708 CG2 THR A 48 1.189 -0.354 2.941 1.00 0.38 C ATOM 0 H THR A 48 1.786 -3.776 4.750 1.00 0.33 H new ATOM 0 HA THR A 48 1.239 -1.071 5.561 1.00 0.33 H new ATOM 0 HB THR A 48 1.035 -2.476 2.851 1.00 0.32 H new ATOM 0 HG1 THR A 48 3.306 -1.380 4.239 1.00 0.37 H new ATOM 0 HG21 THR A 48 1.603 -0.264 1.937 1.00 0.38 H new ATOM 0 HG22 THR A 48 0.109 -0.213 2.902 1.00 0.38 H new ATOM 0 HG23 THR A 48 1.631 0.406 3.585 1.00 0.38 H new ATOM 716 N ALA A 49 -1.127 -2.917 4.066 1.00 0.29 N ATOM 717 CA ALA A 49 -2.532 -3.069 3.760 1.00 0.31 C ATOM 718 C ALA A 49 -3.392 -3.163 4.994 1.00 0.29 C ATOM 719 O ALA A 49 -4.372 -2.460 5.081 1.00 0.27 O ATOM 720 CB ALA A 49 -2.755 -4.278 2.861 1.00 0.35 C ATOM 0 H ALA A 49 -0.544 -3.633 3.634 1.00 0.29 H new ATOM 0 HA ALA A 49 -2.838 -2.166 3.231 1.00 0.31 H new ATOM 0 HB1 ALA A 49 -3.818 -4.377 2.641 1.00 0.35 H new ATOM 0 HB2 ALA A 49 -2.203 -4.146 1.931 1.00 0.35 H new ATOM 0 HB3 ALA A 49 -2.404 -5.177 3.367 1.00 0.35 H new ATOM 726 N ALA A 50 -2.982 -3.986 5.966 1.00 0.33 N ATOM 727 CA ALA A 50 -3.758 -4.232 7.201 1.00 0.37 C ATOM 728 C ALA A 50 -4.194 -2.939 7.873 1.00 0.33 C ATOM 729 O ALA A 50 -5.359 -2.788 8.266 1.00 0.34 O ATOM 730 CB ALA A 50 -2.951 -5.065 8.176 1.00 0.47 C ATOM 0 H ALA A 50 -2.104 -4.503 5.925 1.00 0.33 H new ATOM 0 HA ALA A 50 -4.656 -4.776 6.909 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.536 -5.237 9.079 1.00 0.47 H new ATOM 0 HB2 ALA A 50 -2.702 -6.022 7.718 1.00 0.47 H new ATOM 0 HB3 ALA A 50 -2.033 -4.536 8.434 1.00 0.47 H new ATOM 736 N ARG A 51 -3.274 -2.005 7.961 1.00 0.34 N ATOM 737 CA ARG A 51 -3.525 -0.719 8.566 1.00 0.36 C ATOM 738 C ARG A 51 -4.559 0.077 7.762 1.00 0.33 C ATOM 739 O ARG A 51 -5.511 0.626 8.320 1.00 0.42 O ATOM 740 CB ARG A 51 -2.207 0.052 8.716 1.00 0.44 C ATOM 741 CG ARG A 51 -2.360 1.487 9.171 1.00 0.54 C ATOM 742 CD ARG A 51 -1.014 2.100 9.516 1.00 0.88 C ATOM 743 NE ARG A 51 -1.111 3.547 9.790 1.00 1.06 N ATOM 744 CZ ARG A 51 -1.787 4.122 10.806 1.00 1.91 C ATOM 745 NH1 ARG A 51 -2.346 3.391 11.757 1.00 2.92 N ATOM 746 NH2 ARG A 51 -1.850 5.441 10.883 1.00 2.00 N ATOM 0 H ARG A 51 -2.323 -2.119 7.611 1.00 0.34 H new ATOM 0 HA ARG A 51 -3.946 -0.873 9.560 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -1.573 -0.475 9.429 1.00 0.44 H new ATOM 0 HB3 ARG A 51 -1.686 0.043 7.759 1.00 0.44 H new ATOM 0 HG2 ARG A 51 -2.838 2.072 8.385 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -3.015 1.527 10.041 1.00 0.54 H new ATOM 0 HD2 ARG A 51 -0.600 1.594 10.388 1.00 0.88 H new ATOM 0 HD3 ARG A 51 -0.320 1.934 8.692 1.00 0.88 H new ATOM 0 HE ARG A 51 -0.620 4.172 9.150 1.00 1.06 H new ATOM 0 HH11 ARG A 51 -2.270 2.374 11.730 1.00 2.92 H new ATOM 0 HH12 ARG A 51 -2.853 3.844 12.517 1.00 2.92 H new ATOM 0 HH21 ARG A 51 -1.389 6.016 10.177 1.00 2.00 H new ATOM 0 HH22 ARG A 51 -2.359 5.883 11.648 1.00 2.00 H new ATOM 760 N LEU A 52 -4.403 0.086 6.457 1.00 0.28 N ATOM 761 CA LEU A 52 -5.302 0.826 5.590 1.00 0.30 C ATOM 762 C LEU A 52 -6.678 0.159 5.529 1.00 0.30 C ATOM 763 O LEU A 52 -7.705 0.845 5.570 1.00 0.37 O ATOM 764 CB LEU A 52 -4.689 1.007 4.201 1.00 0.31 C ATOM 765 CG LEU A 52 -3.361 1.786 4.170 1.00 0.35 C ATOM 766 CD1 LEU A 52 -2.816 1.868 2.759 1.00 0.41 C ATOM 767 CD2 LEU A 52 -3.542 3.185 4.752 1.00 0.40 C ATOM 0 H LEU A 52 -3.659 -0.412 5.968 1.00 0.28 H new ATOM 0 HA LEU A 52 -5.448 1.820 6.012 1.00 0.30 H new ATOM 0 HB2 LEU A 52 -4.525 0.023 3.762 1.00 0.31 H new ATOM 0 HB3 LEU A 52 -5.410 1.523 3.567 1.00 0.31 H new ATOM 0 HG LEU A 52 -2.640 1.247 4.785 1.00 0.35 H new ATOM 0 HD11 LEU A 52 -1.878 2.423 2.763 1.00 0.41 H new ATOM 0 HD12 LEU A 52 -2.641 0.862 2.377 1.00 0.41 H new ATOM 0 HD13 LEU A 52 -3.536 2.378 2.120 1.00 0.41 H new ATOM 0 HD21 LEU A 52 -2.592 3.718 4.720 1.00 0.40 H new ATOM 0 HD22 LEU A 52 -4.283 3.729 4.167 1.00 0.40 H new ATOM 0 HD23 LEU A 52 -3.881 3.108 5.785 1.00 0.40 H new ATOM 779 N GLU A 53 -6.685 -1.176 5.471 1.00 0.27 N ATOM 780 CA GLU A 53 -7.904 -1.979 5.504 1.00 0.30 C ATOM 781 C GLU A 53 -8.726 -1.629 6.727 1.00 0.33 C ATOM 782 O GLU A 53 -9.917 -1.344 6.629 1.00 0.35 O ATOM 783 CB GLU A 53 -7.601 -3.485 5.587 1.00 0.33 C ATOM 784 CG GLU A 53 -6.858 -4.117 4.432 1.00 0.37 C ATOM 785 CD GLU A 53 -6.853 -5.622 4.571 1.00 0.58 C ATOM 786 OE1 GLU A 53 -5.942 -6.158 5.221 1.00 0.91 O ATOM 787 OE2 GLU A 53 -7.721 -6.306 3.974 1.00 0.71 O ATOM 0 H GLU A 53 -5.833 -1.733 5.399 1.00 0.27 H new ATOM 0 HA GLU A 53 -8.442 -1.761 4.581 1.00 0.30 H new ATOM 0 HB2 GLU A 53 -7.023 -3.661 6.494 1.00 0.33 H new ATOM 0 HB3 GLU A 53 -8.548 -4.012 5.705 1.00 0.33 H new ATOM 0 HG2 GLU A 53 -7.328 -3.834 3.490 1.00 0.37 H new ATOM 0 HG3 GLU A 53 -5.834 -3.744 4.402 1.00 0.37 H new ATOM 794 N SER A 54 -8.076 -1.641 7.867 1.00 0.37 N ATOM 795 CA SER A 54 -8.727 -1.397 9.131 1.00 0.44 C ATOM 796 C SER A 54 -9.172 0.065 9.271 1.00 0.43 C ATOM 797 O SER A 54 -10.223 0.344 9.831 1.00 0.52 O ATOM 798 CB SER A 54 -7.788 -1.797 10.263 1.00 0.54 C ATOM 799 OG SER A 54 -7.328 -3.134 10.064 1.00 1.44 O ATOM 0 H SER A 54 -7.075 -1.821 7.943 1.00 0.37 H new ATOM 0 HA SER A 54 -9.631 -2.003 9.180 1.00 0.44 H new ATOM 0 HB2 SER A 54 -6.940 -1.113 10.302 1.00 0.54 H new ATOM 0 HB3 SER A 54 -8.304 -1.719 11.220 1.00 0.54 H new ATOM 0 HG SER A 54 -6.555 -3.128 9.462 1.00 1.44 H new ATOM 805 N ARG A 55 -8.387 0.977 8.739 1.00 0.44 N ATOM 806 CA ARG A 55 -8.702 2.391 8.840 1.00 0.50 C ATOM 807 C ARG A 55 -9.871 2.779 7.929 1.00 0.50 C ATOM 808 O ARG A 55 -10.805 3.462 8.351 1.00 0.62 O ATOM 809 CB ARG A 55 -7.484 3.238 8.488 1.00 0.59 C ATOM 810 CG ARG A 55 -7.723 4.721 8.642 1.00 0.97 C ATOM 811 CD ARG A 55 -6.533 5.527 8.200 1.00 1.13 C ATOM 812 NE ARG A 55 -6.761 6.951 8.406 1.00 1.24 N ATOM 813 CZ ARG A 55 -6.296 7.925 7.640 1.00 1.64 C ATOM 814 NH1 ARG A 55 -5.691 7.643 6.492 1.00 1.93 N ATOM 815 NH2 ARG A 55 -6.467 9.185 8.004 1.00 2.25 N ATOM 0 H ARG A 55 -7.527 0.768 8.232 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.994 2.581 9.873 1.00 0.50 H new ATOM 0 HB2 ARG A 55 -6.649 2.944 9.124 1.00 0.59 H new ATOM 0 HB3 ARG A 55 -7.190 3.029 7.459 1.00 0.59 H new ATOM 0 HG2 ARG A 55 -8.596 5.011 8.057 1.00 0.97 H new ATOM 0 HG3 ARG A 55 -7.948 4.947 9.684 1.00 0.97 H new ATOM 0 HD2 ARG A 55 -5.650 5.212 8.756 1.00 1.13 H new ATOM 0 HD3 ARG A 55 -6.331 5.336 7.146 1.00 1.13 H new ATOM 0 HE ARG A 55 -7.328 7.221 9.210 1.00 1.24 H new ATOM 0 HH11 ARG A 55 -5.583 6.672 6.197 1.00 1.93 H new ATOM 0 HH12 ARG A 55 -5.334 8.397 5.905 1.00 1.93 H new ATOM 0 HH21 ARG A 55 -6.956 9.403 8.872 1.00 2.25 H new ATOM 0 HH22 ARG A 55 -6.110 9.939 7.416 1.00 2.25 H new ATOM 829 N TYR A 56 -9.809 2.357 6.683 1.00 0.42 N ATOM 830 CA TYR A 56 -10.821 2.731 5.714 1.00 0.44 C ATOM 831 C TYR A 56 -12.049 1.832 5.754 1.00 0.43 C ATOM 832 O TYR A 56 -13.096 2.190 5.221 1.00 0.52 O ATOM 833 CB TYR A 56 -10.225 2.810 4.315 1.00 0.44 C ATOM 834 CG TYR A 56 -9.271 3.973 4.128 1.00 0.49 C ATOM 835 CD1 TYR A 56 -7.925 3.854 4.428 1.00 0.48 C ATOM 836 CD2 TYR A 56 -9.727 5.191 3.642 1.00 0.62 C ATOM 837 CE1 TYR A 56 -7.062 4.907 4.251 1.00 0.55 C ATOM 838 CE2 TYR A 56 -8.870 6.256 3.458 1.00 0.71 C ATOM 839 CZ TYR A 56 -7.539 6.112 3.765 1.00 0.69 C ATOM 840 OH TYR A 56 -6.672 7.162 3.569 1.00 0.77 O ATOM 0 H TYR A 56 -9.071 1.756 6.317 1.00 0.42 H new ATOM 0 HA TYR A 56 -11.173 3.724 5.994 1.00 0.44 H new ATOM 0 HB2 TYR A 56 -9.698 1.880 4.100 1.00 0.44 H new ATOM 0 HB3 TYR A 56 -11.033 2.893 3.589 1.00 0.44 H new ATOM 0 HD1 TYR A 56 -7.547 2.916 4.808 1.00 0.48 H new ATOM 0 HD2 TYR A 56 -10.774 5.307 3.403 1.00 0.62 H new ATOM 0 HE1 TYR A 56 -6.015 4.795 4.490 1.00 0.55 H new ATOM 0 HE2 TYR A 56 -9.242 7.195 3.076 1.00 0.71 H new ATOM 0 HH TYR A 56 -7.166 7.934 3.223 1.00 0.77 H new ATOM 850 N GLY A 57 -11.929 0.686 6.389 1.00 0.38 N ATOM 851 CA GLY A 57 -13.063 -0.210 6.502 1.00 0.41 C ATOM 852 C GLY A 57 -13.243 -1.054 5.263 1.00 0.39 C ATOM 853 O GLY A 57 -14.361 -1.209 4.757 1.00 0.51 O ATOM 0 H GLY A 57 -11.071 0.354 6.830 1.00 0.38 H new ATOM 0 HA2 GLY A 57 -12.927 -0.860 7.367 1.00 0.41 H new ATOM 0 HA3 GLY A 57 -13.968 0.371 6.679 1.00 0.41 H new ATOM 857 N VAL A 58 -12.145 -1.582 4.762 1.00 0.34 N ATOM 858 CA VAL A 58 -12.169 -2.425 3.583 1.00 0.36 C ATOM 859 C VAL A 58 -11.556 -3.784 3.918 1.00 0.39 C ATOM 860 O VAL A 58 -11.047 -3.971 5.034 1.00 0.42 O ATOM 861 CB VAL A 58 -11.452 -1.773 2.342 1.00 0.36 C ATOM 862 CG1 VAL A 58 -12.074 -0.439 2.007 1.00 0.41 C ATOM 863 CG2 VAL A 58 -9.967 -1.575 2.580 1.00 0.34 C ATOM 0 H VAL A 58 -11.216 -1.440 5.158 1.00 0.34 H new ATOM 0 HA VAL A 58 -13.212 -2.552 3.291 1.00 0.36 H new ATOM 0 HB VAL A 58 -11.580 -2.464 1.509 1.00 0.36 H new ATOM 0 HG11 VAL A 58 -11.564 -0.005 1.147 1.00 0.41 H new ATOM 0 HG12 VAL A 58 -13.129 -0.578 1.771 1.00 0.41 H new ATOM 0 HG13 VAL A 58 -11.979 0.232 2.861 1.00 0.41 H new ATOM 0 HG21 VAL A 58 -9.514 -1.123 1.698 1.00 0.34 H new ATOM 0 HG22 VAL A 58 -9.820 -0.920 3.439 1.00 0.34 H new ATOM 0 HG23 VAL A 58 -9.498 -2.539 2.775 1.00 0.34 H new ATOM 873 N SER A 59 -11.585 -4.709 2.989 1.00 0.43 N ATOM 874 CA SER A 59 -11.026 -6.024 3.209 1.00 0.49 C ATOM 875 C SER A 59 -10.493 -6.603 1.908 1.00 0.45 C ATOM 876 O SER A 59 -11.248 -6.811 0.962 1.00 0.56 O ATOM 877 CB SER A 59 -12.089 -6.938 3.833 1.00 0.67 C ATOM 878 OG SER A 59 -13.326 -6.864 3.121 1.00 1.48 O ATOM 0 H SER A 59 -11.994 -4.574 2.064 1.00 0.43 H new ATOM 0 HA SER A 59 -10.187 -5.947 3.901 1.00 0.49 H new ATOM 0 HB2 SER A 59 -11.730 -7.967 3.835 1.00 0.67 H new ATOM 0 HB3 SER A 59 -12.249 -6.654 4.873 1.00 0.67 H new ATOM 0 HG SER A 59 -13.148 -6.833 2.158 1.00 1.48 H new ATOM 884 N ILE A 60 -9.211 -6.833 1.857 1.00 0.39 N ATOM 885 CA ILE A 60 -8.558 -7.355 0.677 1.00 0.43 C ATOM 886 C ILE A 60 -7.899 -8.699 1.001 1.00 0.35 C ATOM 887 O ILE A 60 -7.321 -8.861 2.081 1.00 0.42 O ATOM 888 CB ILE A 60 -7.493 -6.343 0.153 1.00 0.58 C ATOM 889 CG1 ILE A 60 -8.172 -5.013 -0.203 1.00 0.75 C ATOM 890 CG2 ILE A 60 -6.720 -6.900 -1.051 1.00 0.71 C ATOM 891 CD1 ILE A 60 -7.222 -3.949 -0.674 1.00 1.01 C ATOM 0 H ILE A 60 -8.578 -6.663 2.639 1.00 0.39 H new ATOM 0 HA ILE A 60 -9.304 -7.504 -0.103 1.00 0.43 H new ATOM 0 HB ILE A 60 -6.767 -6.173 0.948 1.00 0.58 H new ATOM 0 HG12 ILE A 60 -8.915 -5.193 -0.980 1.00 0.75 H new ATOM 0 HG13 ILE A 60 -8.709 -4.645 0.672 1.00 0.75 H new ATOM 0 HG21 ILE A 60 -5.988 -6.165 -1.385 1.00 0.71 H new ATOM 0 HG22 ILE A 60 -6.207 -7.817 -0.761 1.00 0.71 H new ATOM 0 HG23 ILE A 60 -7.416 -7.115 -1.862 1.00 0.71 H new ATOM 0 HD11 ILE A 60 -7.779 -3.041 -0.906 1.00 1.01 H new ATOM 0 HD12 ILE A 60 -6.494 -3.739 0.109 1.00 1.01 H new ATOM 0 HD13 ILE A 60 -6.703 -4.294 -1.568 1.00 1.01 H new ATOM 903 N PRO A 61 -8.055 -9.704 0.111 1.00 0.43 N ATOM 904 CA PRO A 61 -7.409 -11.019 0.259 1.00 0.50 C ATOM 905 C PRO A 61 -5.889 -10.897 0.439 1.00 0.46 C ATOM 906 O PRO A 61 -5.234 -10.103 -0.255 1.00 0.40 O ATOM 907 CB PRO A 61 -7.715 -11.706 -1.072 1.00 0.63 C ATOM 908 CG PRO A 61 -8.978 -11.080 -1.536 1.00 0.74 C ATOM 909 CD PRO A 61 -8.910 -9.651 -1.096 1.00 0.63 C ATOM 0 HA PRO A 61 -7.770 -11.556 1.136 1.00 0.50 H new ATOM 0 HB2 PRO A 61 -6.910 -11.554 -1.791 1.00 0.63 H new ATOM 0 HB3 PRO A 61 -7.830 -12.783 -0.945 1.00 0.63 H new ATOM 0 HG2 PRO A 61 -9.075 -11.151 -2.619 1.00 0.74 H new ATOM 0 HG3 PRO A 61 -9.844 -11.581 -1.105 1.00 0.74 H new ATOM 0 HD2 PRO A 61 -8.478 -9.013 -1.867 1.00 0.63 H new ATOM 0 HD3 PRO A 61 -9.899 -9.252 -0.871 1.00 0.63 H new ATOM 917 N ASP A 62 -5.350 -11.708 1.342 1.00 0.61 N ATOM 918 CA ASP A 62 -3.917 -11.722 1.707 1.00 0.72 C ATOM 919 C ASP A 62 -3.051 -11.892 0.473 1.00 0.66 C ATOM 920 O ASP A 62 -2.108 -11.132 0.236 1.00 0.67 O ATOM 921 CB ASP A 62 -3.622 -12.901 2.666 1.00 1.04 C ATOM 922 CG ASP A 62 -4.471 -12.908 3.920 1.00 1.22 C ATOM 923 OD1 ASP A 62 -5.650 -13.316 3.847 1.00 1.74 O ATOM 924 OD2 ASP A 62 -3.992 -12.517 4.995 1.00 1.73 O ATOM 0 H ASP A 62 -5.900 -12.394 1.859 1.00 0.61 H new ATOM 0 HA ASP A 62 -3.689 -10.773 2.191 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -3.777 -13.838 2.131 1.00 1.04 H new ATOM 0 HB3 ASP A 62 -2.571 -12.868 2.952 1.00 1.04 H new ATOM 929 N ASP A 63 -3.425 -12.863 -0.342 1.00 0.68 N ATOM 930 CA ASP A 63 -2.682 -13.216 -1.554 1.00 0.73 C ATOM 931 C ASP A 63 -2.705 -12.103 -2.567 1.00 0.63 C ATOM 932 O ASP A 63 -1.760 -11.937 -3.331 1.00 0.78 O ATOM 933 CB ASP A 63 -3.232 -14.493 -2.209 1.00 0.92 C ATOM 934 CG ASP A 63 -2.995 -15.738 -1.400 1.00 1.41 C ATOM 935 OD1 ASP A 63 -1.908 -16.367 -1.548 1.00 1.81 O ATOM 936 OD2 ASP A 63 -3.873 -16.100 -0.580 1.00 2.17 O ATOM 0 H ASP A 63 -4.255 -13.435 -0.187 1.00 0.68 H new ATOM 0 HA ASP A 63 -1.654 -13.391 -1.237 1.00 0.73 H new ATOM 0 HB2 ASP A 63 -4.303 -14.375 -2.372 1.00 0.92 H new ATOM 0 HB3 ASP A 63 -2.772 -14.615 -3.190 1.00 0.92 H new ATOM 941 N VAL A 64 -3.770 -11.331 -2.566 1.00 0.48 N ATOM 942 CA VAL A 64 -3.922 -10.265 -3.532 1.00 0.44 C ATOM 943 C VAL A 64 -3.193 -9.007 -3.049 1.00 0.38 C ATOM 944 O VAL A 64 -2.700 -8.210 -3.853 1.00 0.41 O ATOM 945 CB VAL A 64 -5.422 -9.968 -3.844 1.00 0.50 C ATOM 946 CG1 VAL A 64 -5.565 -8.910 -4.926 1.00 0.57 C ATOM 947 CG2 VAL A 64 -6.140 -11.239 -4.269 1.00 0.58 C ATOM 0 H VAL A 64 -4.543 -11.422 -1.907 1.00 0.48 H new ATOM 0 HA VAL A 64 -3.468 -10.593 -4.467 1.00 0.44 H new ATOM 0 HB VAL A 64 -5.878 -9.587 -2.930 1.00 0.50 H new ATOM 0 HG11 VAL A 64 -6.622 -8.727 -5.119 1.00 0.57 H new ATOM 0 HG12 VAL A 64 -5.091 -7.986 -4.596 1.00 0.57 H new ATOM 0 HG13 VAL A 64 -5.084 -9.257 -5.840 1.00 0.57 H new ATOM 0 HG21 VAL A 64 -7.185 -11.013 -4.482 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -5.666 -11.643 -5.164 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -6.085 -11.974 -3.466 1.00 0.58 H new ATOM 957 N ALA A 65 -3.091 -8.866 -1.733 1.00 0.36 N ATOM 958 CA ALA A 65 -2.371 -7.759 -1.129 1.00 0.36 C ATOM 959 C ALA A 65 -0.902 -7.873 -1.485 1.00 0.38 C ATOM 960 O ALA A 65 -0.289 -6.931 -1.979 1.00 0.46 O ATOM 961 CB ALA A 65 -2.553 -7.766 0.379 1.00 0.42 C ATOM 0 H ALA A 65 -3.503 -9.513 -1.061 1.00 0.36 H new ATOM 0 HA ALA A 65 -2.766 -6.818 -1.511 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -2.007 -6.930 0.815 1.00 0.42 H new ATOM 0 HB2 ALA A 65 -3.612 -7.672 0.618 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -2.171 -8.702 0.787 1.00 0.42 H new ATOM 967 N GLY A 66 -0.360 -9.059 -1.295 1.00 0.39 N ATOM 968 CA GLY A 66 1.017 -9.307 -1.641 1.00 0.46 C ATOM 969 C GLY A 66 1.159 -9.779 -3.067 1.00 0.48 C ATOM 970 O GLY A 66 1.819 -10.786 -3.342 1.00 0.77 O ATOM 0 H GLY A 66 -0.854 -9.861 -0.904 1.00 0.39 H new ATOM 0 HA2 GLY A 66 1.597 -8.395 -1.500 1.00 0.46 H new ATOM 0 HA3 GLY A 66 1.432 -10.056 -0.967 1.00 0.46 H new ATOM 974 N ARG A 67 0.513 -9.080 -3.963 1.00 0.36 N ATOM 975 CA ARG A 67 0.559 -9.401 -5.363 1.00 0.41 C ATOM 976 C ARG A 67 0.787 -8.118 -6.163 1.00 0.37 C ATOM 977 O ARG A 67 0.971 -8.149 -7.376 1.00 0.47 O ATOM 978 CB ARG A 67 -0.774 -10.074 -5.756 1.00 0.55 C ATOM 979 CG ARG A 67 -0.868 -10.598 -7.180 1.00 1.14 C ATOM 980 CD ARG A 67 -1.966 -9.881 -7.965 1.00 1.95 C ATOM 981 NE ARG A 67 -1.655 -8.457 -8.164 1.00 2.92 N ATOM 982 CZ ARG A 67 -2.546 -7.478 -8.381 1.00 4.03 C ATOM 983 NH1 ARG A 67 -3.848 -7.721 -8.347 1.00 4.35 N ATOM 984 NH2 ARG A 67 -2.117 -6.248 -8.644 1.00 5.04 N ATOM 0 H ARG A 67 -0.062 -8.268 -3.740 1.00 0.36 H new ATOM 0 HA ARG A 67 1.377 -10.088 -5.578 1.00 0.41 H new ATOM 0 HB2 ARG A 67 -0.953 -10.904 -5.073 1.00 0.55 H new ATOM 0 HB3 ARG A 67 -1.579 -9.355 -5.602 1.00 0.55 H new ATOM 0 HG2 ARG A 67 0.089 -10.463 -7.683 1.00 1.14 H new ATOM 0 HG3 ARG A 67 -1.070 -11.669 -7.163 1.00 1.14 H new ATOM 0 HD2 ARG A 67 -2.094 -10.364 -8.934 1.00 1.95 H new ATOM 0 HD3 ARG A 67 -2.913 -9.975 -7.434 1.00 1.95 H new ATOM 0 HE ARG A 67 -0.671 -8.189 -8.134 1.00 2.92 H new ATOM 0 HH11 ARG A 67 -4.186 -8.664 -8.154 1.00 4.35 H new ATOM 0 HH12 ARG A 67 -4.512 -6.965 -8.514 1.00 4.35 H new ATOM 0 HH21 ARG A 67 -1.116 -6.054 -8.680 1.00 5.04 H new ATOM 0 HH22 ARG A 67 -2.788 -5.498 -8.810 1.00 5.04 H new ATOM 998 N VAL A 68 0.786 -6.996 -5.478 1.00 0.37 N ATOM 999 CA VAL A 68 0.912 -5.711 -6.140 1.00 0.38 C ATOM 1000 C VAL A 68 2.371 -5.364 -6.430 1.00 0.42 C ATOM 1001 O VAL A 68 3.233 -5.452 -5.557 1.00 0.75 O ATOM 1002 CB VAL A 68 0.195 -4.574 -5.358 1.00 0.40 C ATOM 1003 CG1 VAL A 68 -1.302 -4.827 -5.342 1.00 0.42 C ATOM 1004 CG2 VAL A 68 0.712 -4.452 -3.935 1.00 0.43 C ATOM 0 H VAL A 68 0.700 -6.944 -4.463 1.00 0.37 H new ATOM 0 HA VAL A 68 0.404 -5.802 -7.100 1.00 0.38 H new ATOM 0 HB VAL A 68 0.407 -3.635 -5.869 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -1.800 -4.028 -4.793 1.00 0.42 H new ATOM 0 HG12 VAL A 68 -1.678 -4.853 -6.365 1.00 0.42 H new ATOM 0 HG13 VAL A 68 -1.504 -5.782 -4.856 1.00 0.42 H new ATOM 0 HG21 VAL A 68 0.185 -3.646 -3.424 1.00 0.43 H new ATOM 0 HG22 VAL A 68 0.543 -5.389 -3.405 1.00 0.43 H new ATOM 0 HG23 VAL A 68 1.780 -4.233 -3.953 1.00 0.43 H new ATOM 1014 N ASP A 69 2.635 -5.057 -7.681 1.00 0.35 N ATOM 1015 CA ASP A 69 3.985 -4.720 -8.153 1.00 0.42 C ATOM 1016 C ASP A 69 4.389 -3.323 -7.749 1.00 0.33 C ATOM 1017 O ASP A 69 5.440 -3.113 -7.148 1.00 0.34 O ATOM 1018 CB ASP A 69 4.084 -4.819 -9.686 1.00 0.62 C ATOM 1019 CG ASP A 69 3.979 -6.217 -10.231 1.00 1.22 C ATOM 1020 OD1 ASP A 69 2.853 -6.769 -10.296 1.00 2.03 O ATOM 1021 OD2 ASP A 69 5.015 -6.818 -10.571 1.00 1.32 O ATOM 0 H ASP A 69 1.925 -5.030 -8.413 1.00 0.35 H new ATOM 0 HA ASP A 69 4.656 -5.442 -7.688 1.00 0.42 H new ATOM 0 HB2 ASP A 69 3.295 -4.211 -10.128 1.00 0.62 H new ATOM 0 HB3 ASP A 69 5.034 -4.389 -10.004 1.00 0.62 H new ATOM 1026 N THR A 70 3.575 -2.365 -8.093 1.00 0.30 N ATOM 1027 CA THR A 70 3.892 -0.990 -7.840 1.00 0.28 C ATOM 1028 C THR A 70 2.954 -0.441 -6.772 1.00 0.26 C ATOM 1029 O THR A 70 1.889 -1.036 -6.507 1.00 0.27 O ATOM 1030 CB THR A 70 3.705 -0.154 -9.135 1.00 0.34 C ATOM 1031 OG1 THR A 70 2.328 -0.175 -9.518 1.00 0.44 O ATOM 1032 CG2 THR A 70 4.543 -0.719 -10.280 1.00 0.35 C ATOM 0 H THR A 70 2.678 -2.515 -8.554 1.00 0.30 H new ATOM 0 HA THR A 70 4.927 -0.925 -7.505 1.00 0.28 H new ATOM 0 HB THR A 70 4.030 0.866 -8.932 1.00 0.34 H new ATOM 0 HG1 THR A 70 2.248 0.064 -10.465 1.00 0.44 H new ATOM 0 HG21 THR A 70 4.392 -0.114 -11.174 1.00 0.35 H new ATOM 0 HG22 THR A 70 5.597 -0.701 -10.003 1.00 0.35 H new ATOM 0 HG23 THR A 70 4.238 -1.746 -10.481 1.00 0.35 H new ATOM 1040 N PRO A 71 3.330 0.672 -6.103 1.00 0.26 N ATOM 1041 CA PRO A 71 2.436 1.372 -5.186 1.00 0.26 C ATOM 1042 C PRO A 71 1.173 1.832 -5.909 1.00 0.24 C ATOM 1043 O PRO A 71 0.127 1.991 -5.294 1.00 0.25 O ATOM 1044 CB PRO A 71 3.261 2.565 -4.722 1.00 0.30 C ATOM 1045 CG PRO A 71 4.664 2.112 -4.878 1.00 0.32 C ATOM 1046 CD PRO A 71 4.666 1.284 -6.120 1.00 0.29 C ATOM 0 HA PRO A 71 2.098 0.746 -4.361 1.00 0.26 H new ATOM 0 HB2 PRO A 71 3.058 3.450 -5.325 1.00 0.30 H new ATOM 0 HB3 PRO A 71 3.038 2.826 -3.687 1.00 0.30 H new ATOM 0 HG2 PRO A 71 5.345 2.959 -4.967 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.989 1.531 -4.015 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.822 1.892 -7.011 1.00 0.29 H new ATOM 0 HD3 PRO A 71 5.456 0.533 -6.104 1.00 0.29 H new ATOM 1054 N ARG A 72 1.285 2.043 -7.231 1.00 0.24 N ATOM 1055 CA ARG A 72 0.108 2.342 -8.059 1.00 0.27 C ATOM 1056 C ARG A 72 -0.892 1.189 -7.973 1.00 0.23 C ATOM 1057 O ARG A 72 -2.088 1.412 -7.742 1.00 0.27 O ATOM 1058 CB ARG A 72 0.488 2.571 -9.525 1.00 0.36 C ATOM 1059 CG ARG A 72 -0.712 2.807 -10.441 1.00 0.53 C ATOM 1060 CD ARG A 72 -0.289 2.974 -11.883 1.00 0.72 C ATOM 1061 NE ARG A 72 0.525 4.171 -12.082 1.00 0.79 N ATOM 1062 CZ ARG A 72 1.681 4.211 -12.747 1.00 1.57 C ATOM 1063 NH1 ARG A 72 2.143 3.125 -13.362 1.00 2.55 N ATOM 1064 NH2 ARG A 72 2.350 5.347 -12.832 1.00 1.67 N ATOM 0 H ARG A 72 2.167 2.012 -7.743 1.00 0.24 H new ATOM 0 HA ARG A 72 -0.340 3.259 -7.676 1.00 0.27 H new ATOM 0 HB2 ARG A 72 1.156 3.430 -9.588 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.045 1.706 -9.886 1.00 0.36 H new ATOM 0 HG2 ARG A 72 -1.403 1.968 -10.359 1.00 0.53 H new ATOM 0 HG3 ARG A 72 -1.250 3.697 -10.114 1.00 0.53 H new ATOM 0 HD2 ARG A 72 0.275 2.096 -12.199 1.00 0.72 H new ATOM 0 HD3 ARG A 72 -1.175 3.029 -12.516 1.00 0.72 H new ATOM 0 HE ARG A 72 0.183 5.044 -11.681 1.00 0.79 H new ATOM 0 HH11 ARG A 72 1.613 2.255 -13.327 1.00 2.55 H new ATOM 0 HH12 ARG A 72 3.028 3.163 -13.868 1.00 2.55 H new ATOM 0 HH21 ARG A 72 1.982 6.190 -12.390 1.00 1.67 H new ATOM 0 HH22 ARG A 72 3.234 5.381 -13.340 1.00 1.67 H new ATOM 1078 N GLU A 73 -0.390 -0.038 -8.137 1.00 0.21 N ATOM 1079 CA GLU A 73 -1.220 -1.229 -8.049 1.00 0.24 C ATOM 1080 C GLU A 73 -1.857 -1.313 -6.664 1.00 0.21 C ATOM 1081 O GLU A 73 -3.051 -1.560 -6.545 1.00 0.24 O ATOM 1082 CB GLU A 73 -0.403 -2.505 -8.302 1.00 0.32 C ATOM 1083 CG GLU A 73 0.318 -2.574 -9.642 1.00 0.44 C ATOM 1084 CD GLU A 73 -0.601 -2.460 -10.828 1.00 1.27 C ATOM 1085 OE1 GLU A 73 -1.482 -3.319 -10.994 1.00 1.49 O ATOM 1086 OE2 GLU A 73 -0.462 -1.503 -11.613 1.00 2.08 O ATOM 0 H GLU A 73 0.593 -0.227 -8.332 1.00 0.21 H new ATOM 0 HA GLU A 73 -1.991 -1.154 -8.816 1.00 0.24 H new ATOM 0 HB2 GLU A 73 0.336 -2.604 -7.507 1.00 0.32 H new ATOM 0 HB3 GLU A 73 -1.071 -3.363 -8.225 1.00 0.32 H new ATOM 0 HG2 GLU A 73 1.058 -1.775 -9.688 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.862 -3.516 -9.704 1.00 0.44 H new ATOM 1093 N LEU A 74 -1.045 -1.064 -5.625 1.00 0.19 N ATOM 1094 CA LEU A 74 -1.512 -1.124 -4.233 1.00 0.21 C ATOM 1095 C LEU A 74 -2.613 -0.072 -4.017 1.00 0.19 C ATOM 1096 O LEU A 74 -3.652 -0.365 -3.404 1.00 0.20 O ATOM 1097 CB LEU A 74 -0.316 -0.907 -3.252 1.00 0.25 C ATOM 1098 CG LEU A 74 -0.479 -1.374 -1.764 1.00 0.33 C ATOM 1099 CD1 LEU A 74 0.826 -1.223 -1.019 1.00 1.07 C ATOM 1100 CD2 LEU A 74 -1.554 -0.605 -1.022 1.00 0.88 C ATOM 0 H LEU A 74 -0.060 -0.819 -5.724 1.00 0.19 H new ATOM 0 HA LEU A 74 -1.931 -2.109 -4.029 1.00 0.21 H new ATOM 0 HB2 LEU A 74 0.552 -1.419 -3.668 1.00 0.25 H new ATOM 0 HB3 LEU A 74 -0.083 0.158 -3.242 1.00 0.25 H new ATOM 0 HG LEU A 74 -0.778 -2.421 -1.803 1.00 0.33 H new ATOM 0 HD11 LEU A 74 0.696 -1.551 0.012 1.00 1.07 H new ATOM 0 HD12 LEU A 74 1.592 -1.831 -1.500 1.00 1.07 H new ATOM 0 HD13 LEU A 74 1.133 -0.177 -1.031 1.00 1.07 H new ATOM 0 HD21 LEU A 74 -1.622 -0.971 0.002 1.00 0.88 H new ATOM 0 HD22 LEU A 74 -1.302 0.455 -1.012 1.00 0.88 H new ATOM 0 HD23 LEU A 74 -2.512 -0.745 -1.522 1.00 0.88 H new ATOM 1112 N LEU A 75 -2.385 1.140 -4.543 1.00 0.19 N ATOM 1113 CA LEU A 75 -3.348 2.226 -4.439 1.00 0.21 C ATOM 1114 C LEU A 75 -4.666 1.793 -5.016 1.00 0.20 C ATOM 1115 O LEU A 75 -5.651 1.731 -4.305 1.00 0.24 O ATOM 1116 CB LEU A 75 -2.879 3.488 -5.194 1.00 0.24 C ATOM 1117 CG LEU A 75 -3.785 4.712 -5.072 1.00 0.29 C ATOM 1118 CD1 LEU A 75 -3.902 5.169 -3.641 1.00 0.32 C ATOM 1119 CD2 LEU A 75 -3.297 5.840 -5.961 1.00 0.37 C ATOM 0 H LEU A 75 -1.533 1.386 -5.047 1.00 0.19 H new ATOM 0 HA LEU A 75 -3.447 2.469 -3.381 1.00 0.21 H new ATOM 0 HB2 LEU A 75 -1.887 3.757 -4.832 1.00 0.24 H new ATOM 0 HB3 LEU A 75 -2.777 3.239 -6.250 1.00 0.24 H new ATOM 0 HG LEU A 75 -4.780 4.420 -5.409 1.00 0.29 H new ATOM 0 HD11 LEU A 75 -4.553 6.041 -3.590 1.00 0.32 H new ATOM 0 HD12 LEU A 75 -4.323 4.366 -3.036 1.00 0.32 H new ATOM 0 HD13 LEU A 75 -2.915 5.431 -3.261 1.00 0.32 H new ATOM 0 HD21 LEU A 75 -3.959 6.699 -5.855 1.00 0.37 H new ATOM 0 HD22 LEU A 75 -2.286 6.123 -5.668 1.00 0.37 H new ATOM 0 HD23 LEU A 75 -3.294 5.510 -7.000 1.00 0.37 H new ATOM 1131 N ASP A 76 -4.648 1.426 -6.294 1.00 0.21 N ATOM 1132 CA ASP A 76 -5.864 1.084 -7.036 1.00 0.25 C ATOM 1133 C ASP A 76 -6.579 -0.116 -6.415 1.00 0.23 C ATOM 1134 O ASP A 76 -7.816 -0.151 -6.362 1.00 0.25 O ATOM 1135 CB ASP A 76 -5.547 0.810 -8.506 1.00 0.34 C ATOM 1136 CG ASP A 76 -6.790 0.777 -9.372 1.00 0.65 C ATOM 1137 OD1 ASP A 76 -7.407 -0.297 -9.539 1.00 1.07 O ATOM 1138 OD2 ASP A 76 -7.171 1.843 -9.919 1.00 0.72 O ATOM 0 H ASP A 76 -3.793 1.356 -6.846 1.00 0.21 H new ATOM 0 HA ASP A 76 -6.533 1.942 -6.978 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.870 1.579 -8.878 1.00 0.34 H new ATOM 0 HB3 ASP A 76 -5.024 -0.143 -8.590 1.00 0.34 H new ATOM 1143 N LEU A 77 -5.792 -1.073 -5.926 1.00 0.21 N ATOM 1144 CA LEU A 77 -6.294 -2.274 -5.245 1.00 0.23 C ATOM 1145 C LEU A 77 -7.255 -1.895 -4.115 1.00 0.26 C ATOM 1146 O LEU A 77 -8.406 -2.365 -4.072 1.00 0.31 O ATOM 1147 CB LEU A 77 -5.116 -3.071 -4.662 1.00 0.23 C ATOM 1148 CG LEU A 77 -5.467 -4.344 -3.893 1.00 0.30 C ATOM 1149 CD1 LEU A 77 -6.086 -5.377 -4.808 1.00 0.37 C ATOM 1150 CD2 LEU A 77 -4.241 -4.902 -3.190 1.00 0.32 C ATOM 0 H LEU A 77 -4.775 -1.039 -5.990 1.00 0.21 H new ATOM 0 HA LEU A 77 -6.829 -2.883 -5.973 1.00 0.23 H new ATOM 0 HB2 LEU A 77 -4.448 -3.340 -5.480 1.00 0.23 H new ATOM 0 HB3 LEU A 77 -4.556 -2.414 -3.996 1.00 0.23 H new ATOM 0 HG LEU A 77 -6.205 -4.088 -3.133 1.00 0.30 H new ATOM 0 HD11 LEU A 77 -6.326 -6.273 -4.235 1.00 0.37 H new ATOM 0 HD12 LEU A 77 -6.997 -4.973 -5.249 1.00 0.37 H new ATOM 0 HD13 LEU A 77 -5.381 -5.631 -5.600 1.00 0.37 H new ATOM 0 HD21 LEU A 77 -4.513 -5.808 -2.649 1.00 0.32 H new ATOM 0 HD22 LEU A 77 -3.474 -5.137 -3.928 1.00 0.32 H new ATOM 0 HD23 LEU A 77 -3.855 -4.162 -2.489 1.00 0.32 H new ATOM 1162 N ILE A 78 -6.788 -1.033 -3.226 1.00 0.26 N ATOM 1163 CA ILE A 78 -7.591 -0.582 -2.102 1.00 0.29 C ATOM 1164 C ILE A 78 -8.633 0.409 -2.583 1.00 0.29 C ATOM 1165 O ILE A 78 -9.796 0.285 -2.280 1.00 0.37 O ATOM 1166 CB ILE A 78 -6.715 0.095 -1.007 1.00 0.31 C ATOM 1167 CG1 ILE A 78 -5.635 -0.882 -0.513 1.00 0.31 C ATOM 1168 CG2 ILE A 78 -7.591 0.570 0.163 1.00 0.35 C ATOM 1169 CD1 ILE A 78 -4.751 -0.336 0.585 1.00 0.34 C ATOM 0 H ILE A 78 -5.852 -0.630 -3.262 1.00 0.26 H new ATOM 0 HA ILE A 78 -8.073 -1.457 -1.666 1.00 0.29 H new ATOM 0 HB ILE A 78 -6.223 0.965 -1.441 1.00 0.31 H new ATOM 0 HG12 ILE A 78 -6.121 -1.789 -0.154 1.00 0.31 H new ATOM 0 HG13 ILE A 78 -5.009 -1.169 -1.358 1.00 0.31 H new ATOM 0 HG21 ILE A 78 -6.963 1.041 0.920 1.00 0.35 H new ATOM 0 HG22 ILE A 78 -8.324 1.290 -0.200 1.00 0.35 H new ATOM 0 HG23 ILE A 78 -8.108 -0.284 0.601 1.00 0.35 H new ATOM 0 HD11 ILE A 78 -4.019 -1.091 0.872 1.00 0.34 H new ATOM 0 HD12 ILE A 78 -4.233 0.554 0.227 1.00 0.34 H new ATOM 0 HD13 ILE A 78 -5.362 -0.077 1.449 1.00 0.34 H new ATOM 1181 N ASN A 79 -8.178 1.363 -3.357 1.00 0.27 N ATOM 1182 CA ASN A 79 -8.967 2.495 -3.873 1.00 0.32 C ATOM 1183 C ASN A 79 -10.268 2.019 -4.538 1.00 0.31 C ATOM 1184 O ASN A 79 -11.342 2.530 -4.245 1.00 0.37 O ATOM 1185 CB ASN A 79 -8.083 3.249 -4.868 1.00 0.44 C ATOM 1186 CG ASN A 79 -8.477 4.664 -5.173 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -9.640 5.015 -5.218 1.00 1.53 O ATOM 1188 ND2 ASN A 79 -7.470 5.489 -5.330 1.00 0.89 N ATOM 0 H ASN A 79 -7.207 1.389 -3.668 1.00 0.27 H new ATOM 0 HA ASN A 79 -9.265 3.149 -3.054 1.00 0.32 H new ATOM 0 HB2 ASN A 79 -7.063 3.254 -4.483 1.00 0.44 H new ATOM 0 HB3 ASN A 79 -8.068 2.690 -5.803 1.00 0.44 H new ATOM 0 HD21 ASN A 79 -7.644 6.480 -5.500 1.00 0.89 H new ATOM 0 HD22 ASN A 79 -6.513 5.140 -5.283 1.00 0.89 H new ATOM 1195 N GLY A 80 -10.166 1.002 -5.381 1.00 0.32 N ATOM 1196 CA GLY A 80 -11.340 0.456 -6.059 1.00 0.39 C ATOM 1197 C GLY A 80 -12.315 -0.209 -5.095 1.00 0.42 C ATOM 1198 O GLY A 80 -13.538 -0.139 -5.270 1.00 0.47 O ATOM 0 H GLY A 80 -9.288 0.538 -5.613 1.00 0.32 H new ATOM 0 HA2 GLY A 80 -11.852 1.256 -6.593 1.00 0.39 H new ATOM 0 HA3 GLY A 80 -11.019 -0.271 -6.805 1.00 0.39 H new ATOM 1202 N ALA A 81 -11.777 -0.824 -4.060 1.00 0.44 N ATOM 1203 CA ALA A 81 -12.579 -1.502 -3.047 1.00 0.51 C ATOM 1204 C ALA A 81 -13.147 -0.485 -2.062 1.00 0.52 C ATOM 1205 O ALA A 81 -14.146 -0.722 -1.399 1.00 0.65 O ATOM 1206 CB ALA A 81 -11.725 -2.522 -2.313 1.00 0.56 C ATOM 0 H ALA A 81 -10.772 -0.871 -3.893 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.407 -2.017 -3.534 1.00 0.51 H new ATOM 0 HB1 ALA A 81 -12.328 -3.026 -1.558 1.00 0.56 H new ATOM 0 HB2 ALA A 81 -11.345 -3.257 -3.023 1.00 0.56 H new ATOM 0 HB3 ALA A 81 -10.888 -2.017 -1.831 1.00 0.56 H new ATOM 1212 N LEU A 82 -12.495 0.634 -1.985 1.00 0.46 N ATOM 1213 CA LEU A 82 -12.867 1.712 -1.100 1.00 0.54 C ATOM 1214 C LEU A 82 -13.931 2.605 -1.742 1.00 0.62 C ATOM 1215 O LEU A 82 -14.712 3.253 -1.051 1.00 0.84 O ATOM 1216 CB LEU A 82 -11.607 2.506 -0.755 1.00 0.55 C ATOM 1217 CG LEU A 82 -11.762 3.706 0.160 1.00 0.58 C ATOM 1218 CD1 LEU A 82 -12.374 3.305 1.492 1.00 1.24 C ATOM 1219 CD2 LEU A 82 -10.415 4.362 0.359 1.00 1.03 C ATOM 0 H LEU A 82 -11.668 0.835 -2.547 1.00 0.46 H new ATOM 0 HA LEU A 82 -13.305 1.309 -0.187 1.00 0.54 H new ATOM 0 HB2 LEU A 82 -10.894 1.822 -0.294 1.00 0.55 H new ATOM 0 HB3 LEU A 82 -11.161 2.850 -1.688 1.00 0.55 H new ATOM 0 HG LEU A 82 -12.441 4.420 -0.306 1.00 0.58 H new ATOM 0 HD11 LEU A 82 -12.473 4.186 2.127 1.00 1.24 H new ATOM 0 HD12 LEU A 82 -13.358 2.867 1.323 1.00 1.24 H new ATOM 0 HD13 LEU A 82 -11.731 2.574 1.983 1.00 1.24 H new ATOM 0 HD21 LEU A 82 -10.524 5.225 1.016 1.00 1.03 H new ATOM 0 HD22 LEU A 82 -9.725 3.648 0.809 1.00 1.03 H new ATOM 0 HD23 LEU A 82 -10.023 4.687 -0.605 1.00 1.03 H new ATOM 1231 N ALA A 83 -13.972 2.610 -3.064 1.00 0.53 N ATOM 1232 CA ALA A 83 -14.949 3.397 -3.812 1.00 0.66 C ATOM 1233 C ALA A 83 -16.370 2.943 -3.494 1.00 0.86 C ATOM 1234 O ALA A 83 -17.294 3.755 -3.416 1.00 1.05 O ATOM 1235 CB ALA A 83 -14.679 3.303 -5.307 1.00 0.64 C ATOM 0 H ALA A 83 -13.334 2.072 -3.651 1.00 0.53 H new ATOM 0 HA ALA A 83 -14.850 4.439 -3.508 1.00 0.66 H new ATOM 0 HB1 ALA A 83 -15.417 3.896 -5.848 1.00 0.64 H new ATOM 0 HB2 ALA A 83 -13.680 3.684 -5.521 1.00 0.64 H new ATOM 0 HB3 ALA A 83 -14.746 2.262 -5.624 1.00 0.64 H new ATOM 1241 N GLU A 84 -16.518 1.651 -3.244 1.00 0.92 N ATOM 1242 CA GLU A 84 -17.811 1.059 -2.945 1.00 1.18 C ATOM 1243 C GLU A 84 -18.142 1.142 -1.455 1.00 1.28 C ATOM 1244 O GLU A 84 -19.146 0.598 -0.998 1.00 1.63 O ATOM 1245 CB GLU A 84 -17.869 -0.392 -3.424 1.00 1.30 C ATOM 1246 CG GLU A 84 -16.759 -1.269 -2.883 1.00 1.61 C ATOM 1247 CD GLU A 84 -16.896 -2.715 -3.278 1.00 2.08 C ATOM 1248 OE1 GLU A 84 -17.025 -2.996 -4.496 1.00 2.66 O ATOM 1249 OE2 GLU A 84 -16.914 -3.585 -2.387 1.00 2.42 O ATOM 0 H GLU A 84 -15.746 0.985 -3.243 1.00 0.92 H new ATOM 0 HA GLU A 84 -18.563 1.635 -3.484 1.00 1.18 H new ATOM 0 HB2 GLU A 84 -18.829 -0.820 -3.135 1.00 1.30 H new ATOM 0 HB3 GLU A 84 -17.829 -0.405 -4.513 1.00 1.30 H new ATOM 0 HG2 GLU A 84 -15.801 -0.891 -3.240 1.00 1.61 H new ATOM 0 HG3 GLU A 84 -16.745 -1.196 -1.796 1.00 1.61 H new ATOM 1256 N ALA A 85 -17.315 1.835 -0.705 1.00 1.13 N ATOM 1257 CA ALA A 85 -17.528 1.999 0.719 1.00 1.33 C ATOM 1258 C ALA A 85 -18.181 3.351 0.994 1.00 1.71 C ATOM 1259 O ALA A 85 -18.193 3.839 2.126 1.00 2.30 O ATOM 1260 CB ALA A 85 -16.205 1.872 1.466 1.00 1.30 C ATOM 0 H ALA A 85 -16.479 2.299 -1.061 1.00 1.13 H new ATOM 0 HA ALA A 85 -18.196 1.215 1.075 1.00 1.33 H new ATOM 0 HB1 ALA A 85 -16.377 1.997 2.535 1.00 1.30 H new ATOM 0 HB2 ALA A 85 -15.775 0.888 1.280 1.00 1.30 H new ATOM 0 HB3 ALA A 85 -15.515 2.641 1.117 1.00 1.30 H new ATOM 1266 N ALA A 86 -18.730 3.942 -0.051 1.00 2.12 N ATOM 1267 CA ALA A 86 -19.406 5.216 0.038 1.00 2.78 C ATOM 1268 C ALA A 86 -20.780 5.027 0.647 1.00 3.16 C ATOM 1269 O ALA A 86 -20.949 5.298 1.854 1.00 3.59 O ATOM 1270 CB ALA A 86 -19.512 5.857 -1.334 1.00 3.57 C ATOM 1271 OXT ALA A 86 -21.693 4.548 -0.058 1.00 3.56 O ATOM 0 H ALA A 86 -18.717 3.546 -0.991 1.00 2.12 H new ATOM 0 HA ALA A 86 -18.827 5.881 0.679 1.00 2.78 H new ATOM 0 HB1 ALA A 86 -20.024 6.816 -1.249 1.00 3.57 H new ATOM 0 HB2 ALA A 86 -18.513 6.014 -1.741 1.00 3.57 H new ATOM 0 HB3 ALA A 86 -20.076 5.202 -1.999 1.00 3.57 H new