USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 811 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 28 LYS NZ :NH3+ 137:sc= -0.456 (180deg=0) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -164:sc= -3.78! (180deg=-4.74!) USER MOD Single : A 0 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 138:sc= -5.37! (180deg=-8.69!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -103:sc= -0.171 (180deg=-1.69!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -81:sc= 0.33 USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= 0.395 (180deg=-0.426) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -8! C(o=-8!,f=-3.9!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 119:sc= -8.21! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0403) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -139:sc= -10.8! (180deg=-12.1!) USER MOD Single : A 56 SER OG : rot 180:sc= -0.478 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0356 K(o=-0.036,f=-1) USER MOD Single : A 70 ASN : amide:sc= -16.1! C(o=-16!,f=-15!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 100:sc= -0.793 USER MOD Single : A 84 LYS NZ :NH3+ 162:sc= -0.248 (180deg=-0.253) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -169:sc= -5.25! (180deg=-6.05!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 3.961 -0.651 -6.476 1.00 2.11 N ATOM 2 CA SER A 0 4.988 -0.279 -5.517 1.00 71.12 C ATOM 3 C SER A 0 4.525 -0.614 -4.098 1.00 73.31 C ATOM 4 O SER A 0 3.799 0.162 -3.478 1.00 44.13 O ATOM 5 CB SER A 0 5.331 1.208 -5.626 1.00 74.04 C ATOM 6 OG SER A 0 6.390 1.445 -6.550 1.00 11.34 O ATOM 0 H1 SER A 0 4.284 -0.420 -7.437 1.00 2.11 H new ATOM 0 H2 SER A 0 3.777 -1.672 -6.409 1.00 2.11 H new ATOM 0 H3 SER A 0 3.087 -0.127 -6.269 1.00 2.11 H new ATOM 0 HA SER A 0 5.889 -0.849 -5.743 1.00 71.12 H new ATOM 0 HB2 SER A 0 4.446 1.762 -5.939 1.00 74.04 H new ATOM 0 HB3 SER A 0 5.614 1.588 -4.644 1.00 74.04 H new ATOM 0 HG SER A 0 6.578 2.406 -6.593 1.00 11.34 H new ATOM 12 N MET A 1 4.963 -1.772 -3.625 1.00 11.42 N ATOM 13 CA MET A 1 4.602 -2.219 -2.290 1.00 64.23 C ATOM 14 C MET A 1 5.825 -2.753 -1.542 1.00 24.21 C ATOM 15 O MET A 1 6.936 -2.738 -2.070 1.00 3.41 O ATOM 16 CB MET A 1 3.544 -3.319 -2.389 1.00 73.33 C ATOM 17 CG MET A 1 3.887 -4.312 -3.502 1.00 23.35 C ATOM 18 SD MET A 1 2.562 -5.492 -3.697 1.00 64.31 S ATOM 19 CE MET A 1 3.371 -6.968 -3.103 1.00 24.14 C ATOM 0 H MET A 1 5.564 -2.414 -4.142 1.00 11.42 H new ATOM 0 HA MET A 1 4.204 -1.368 -1.737 1.00 64.23 H new ATOM 0 HB2 MET A 1 3.471 -3.845 -1.437 1.00 73.33 H new ATOM 0 HB3 MET A 1 2.568 -2.873 -2.582 1.00 73.33 H new ATOM 0 HG2 MET A 1 4.051 -3.779 -4.438 1.00 23.35 H new ATOM 0 HG3 MET A 1 4.815 -4.831 -3.264 1.00 23.35 H new ATOM 0 HE1 MET A 1 2.683 -7.532 -2.474 1.00 24.14 H new ATOM 0 HE2 MET A 1 3.675 -7.583 -3.950 1.00 24.14 H new ATOM 0 HE3 MET A 1 4.251 -6.692 -2.522 1.00 24.14 H new ATOM 29 N ALA A 2 5.580 -3.213 -0.324 1.00 32.20 N ATOM 30 CA ALA A 2 6.647 -3.751 0.502 1.00 2.03 C ATOM 31 C ALA A 2 6.866 -5.224 0.150 1.00 1.22 C ATOM 32 O ALA A 2 7.994 -5.645 -0.101 1.00 42.40 O ATOM 33 CB ALA A 2 6.301 -3.550 1.979 1.00 52.21 C ATOM 0 H ALA A 2 4.657 -3.224 0.111 1.00 32.20 H new ATOM 0 HA ALA A 2 7.582 -3.224 0.312 1.00 2.03 H new ATOM 0 HB1 ALA A 2 7.102 -3.954 2.599 1.00 52.21 H new ATOM 0 HB2 ALA A 2 6.185 -2.486 2.184 1.00 52.21 H new ATOM 0 HB3 ALA A 2 5.369 -4.067 2.208 1.00 52.21 H new ATOM 39 N PHE A 3 5.769 -5.967 0.143 1.00 2.22 N ATOM 40 CA PHE A 3 5.827 -7.384 -0.174 1.00 51.40 C ATOM 41 C PHE A 3 6.416 -7.610 -1.568 1.00 11.11 C ATOM 42 O PHE A 3 6.801 -8.727 -1.909 1.00 61.11 O ATOM 43 CB PHE A 3 4.389 -7.906 -0.150 1.00 23.33 C ATOM 44 CG PHE A 3 3.947 -8.447 1.211 1.00 33.14 C ATOM 45 CD1 PHE A 3 2.977 -7.804 1.916 1.00 62.10 C ATOM 46 CD2 PHE A 3 4.523 -9.571 1.717 1.00 53.42 C ATOM 47 CE1 PHE A 3 2.567 -8.306 3.179 1.00 15.12 C ATOM 48 CE2 PHE A 3 4.112 -10.072 2.980 1.00 20.41 C ATOM 49 CZ PHE A 3 3.143 -9.429 3.685 1.00 74.43 C ATOM 0 H PHE A 3 4.835 -5.614 0.352 1.00 2.22 H new ATOM 0 HA PHE A 3 6.460 -7.901 0.547 1.00 51.40 H new ATOM 0 HB2 PHE A 3 3.716 -7.101 -0.446 1.00 23.33 H new ATOM 0 HB3 PHE A 3 4.287 -8.696 -0.894 1.00 23.33 H new ATOM 0 HD1 PHE A 3 2.519 -6.912 1.515 1.00 62.10 H new ATOM 0 HD2 PHE A 3 5.293 -10.082 1.158 1.00 53.42 H new ATOM 0 HE1 PHE A 3 1.797 -7.796 3.738 1.00 15.12 H new ATOM 0 HE2 PHE A 3 4.569 -10.964 3.381 1.00 20.41 H new ATOM 0 HZ PHE A 3 2.831 -9.810 4.646 1.00 74.43 H new ATOM 59 N ALA A 4 6.467 -6.532 -2.336 1.00 2.51 N ATOM 60 CA ALA A 4 7.003 -6.598 -3.685 1.00 73.30 C ATOM 61 C ALA A 4 8.403 -7.214 -3.644 1.00 35.54 C ATOM 62 O ALA A 4 8.894 -7.716 -4.653 1.00 72.53 O ATOM 63 CB ALA A 4 6.999 -5.200 -4.306 1.00 4.24 C ATOM 0 H ALA A 4 6.146 -5.607 -2.050 1.00 2.51 H new ATOM 0 HA ALA A 4 6.381 -7.235 -4.314 1.00 73.30 H new ATOM 0 HB1 ALA A 4 7.401 -5.250 -5.318 1.00 4.24 H new ATOM 0 HB2 ALA A 4 5.978 -4.820 -4.340 1.00 4.24 H new ATOM 0 HB3 ALA A 4 7.615 -4.532 -3.703 1.00 4.24 H new ATOM 69 N SER A 5 9.005 -7.156 -2.465 1.00 63.12 N ATOM 70 CA SER A 5 10.339 -7.702 -2.279 1.00 31.12 C ATOM 71 C SER A 5 10.248 -9.139 -1.760 1.00 43.31 C ATOM 72 O SER A 5 10.968 -10.019 -2.230 1.00 54.22 O ATOM 73 CB SER A 5 11.157 -6.840 -1.315 1.00 61.41 C ATOM 74 OG SER A 5 11.837 -5.785 -1.989 1.00 3.10 O ATOM 0 H SER A 5 8.594 -6.740 -1.630 1.00 63.12 H new ATOM 0 HA SER A 5 10.847 -7.702 -3.244 1.00 31.12 H new ATOM 0 HB2 SER A 5 10.498 -6.420 -0.556 1.00 61.41 H new ATOM 0 HB3 SER A 5 11.883 -7.466 -0.796 1.00 61.41 H new ATOM 0 HG SER A 5 12.346 -5.257 -1.340 1.00 3.10 H new ATOM 80 N VAL A 6 9.358 -9.331 -0.798 1.00 23.43 N ATOM 81 CA VAL A 6 9.164 -10.646 -0.210 1.00 3.00 C ATOM 82 C VAL A 6 8.645 -11.607 -1.281 1.00 63.22 C ATOM 83 O VAL A 6 9.310 -12.587 -1.616 1.00 51.41 O ATOM 84 CB VAL A 6 8.237 -10.545 1.003 1.00 70.31 C ATOM 85 CG1 VAL A 6 8.121 -11.893 1.717 1.00 33.24 C ATOM 86 CG2 VAL A 6 8.709 -9.453 1.965 1.00 63.50 C ATOM 0 H VAL A 6 8.763 -8.598 -0.411 1.00 23.43 H new ATOM 0 HA VAL A 6 10.111 -11.045 0.154 1.00 3.00 H new ATOM 0 HB VAL A 6 7.245 -10.269 0.645 1.00 70.31 H new ATOM 0 HG11 VAL A 6 7.457 -11.794 2.575 1.00 33.24 H new ATOM 0 HG12 VAL A 6 7.717 -12.636 1.029 1.00 33.24 H new ATOM 0 HG13 VAL A 6 9.107 -12.211 2.056 1.00 33.24 H new ATOM 0 HG21 VAL A 6 8.033 -9.402 2.818 1.00 63.50 H new ATOM 0 HG22 VAL A 6 9.715 -9.685 2.313 1.00 63.50 H new ATOM 0 HG23 VAL A 6 8.716 -8.492 1.450 1.00 63.50 H new ATOM 96 N LEU A 7 7.462 -11.294 -1.789 1.00 44.20 N ATOM 97 CA LEU A 7 6.847 -12.118 -2.815 1.00 54.55 C ATOM 98 C LEU A 7 6.733 -11.311 -4.111 1.00 3.03 C ATOM 99 O LEU A 7 7.192 -10.172 -4.179 1.00 1.32 O ATOM 100 CB LEU A 7 5.512 -12.679 -2.322 1.00 73.32 C ATOM 101 CG LEU A 7 5.507 -13.249 -0.902 1.00 4.30 C ATOM 102 CD1 LEU A 7 4.139 -13.067 -0.243 1.00 33.51 C ATOM 103 CD2 LEU A 7 5.957 -14.711 -0.896 1.00 43.01 C ATOM 0 H LEU A 7 6.913 -10.481 -1.509 1.00 44.20 H new ATOM 0 HA LEU A 7 7.471 -12.985 -3.032 1.00 54.55 H new ATOM 0 HB2 LEU A 7 4.765 -11.887 -2.377 1.00 73.32 H new ATOM 0 HB3 LEU A 7 5.195 -13.464 -3.008 1.00 73.32 H new ATOM 0 HG LEU A 7 6.228 -12.689 -0.307 1.00 4.30 H new ATOM 0 HD11 LEU A 7 4.163 -13.481 0.765 1.00 33.51 H new ATOM 0 HD12 LEU A 7 3.897 -12.005 -0.194 1.00 33.51 H new ATOM 0 HD13 LEU A 7 3.381 -13.585 -0.830 1.00 33.51 H new ATOM 0 HD21 LEU A 7 5.944 -15.091 0.125 1.00 43.01 H new ATOM 0 HD22 LEU A 7 5.280 -15.303 -1.512 1.00 43.01 H new ATOM 0 HD23 LEU A 7 6.968 -14.782 -1.297 1.00 43.01 H new ATOM 115 N LYS A 8 6.120 -11.934 -5.106 1.00 53.42 N ATOM 116 CA LYS A 8 5.940 -11.288 -6.396 1.00 4.05 C ATOM 117 C LYS A 8 4.627 -10.503 -6.390 1.00 31.32 C ATOM 118 O LYS A 8 3.565 -11.066 -6.127 1.00 0.53 O ATOM 119 CB LYS A 8 6.039 -12.313 -7.527 1.00 22.53 C ATOM 120 CG LYS A 8 7.093 -13.378 -7.212 1.00 15.44 C ATOM 121 CD LYS A 8 8.479 -12.748 -7.057 1.00 75.22 C ATOM 122 CE LYS A 8 9.156 -12.574 -8.418 1.00 1.21 C ATOM 123 NZ LYS A 8 8.764 -11.285 -9.031 1.00 10.14 N ATOM 0 H LYS A 8 5.741 -12.879 -5.046 1.00 53.42 H new ATOM 0 HA LYS A 8 6.740 -10.570 -6.577 1.00 4.05 H new ATOM 0 HB2 LYS A 8 5.070 -12.789 -7.677 1.00 22.53 H new ATOM 0 HB3 LYS A 8 6.294 -11.808 -8.459 1.00 22.53 H new ATOM 0 HG2 LYS A 8 6.823 -13.902 -6.295 1.00 15.44 H new ATOM 0 HG3 LYS A 8 7.114 -14.121 -8.009 1.00 15.44 H new ATOM 0 HD2 LYS A 8 8.390 -11.780 -6.565 1.00 75.22 H new ATOM 0 HD3 LYS A 8 9.098 -13.375 -6.416 1.00 75.22 H new ATOM 0 HE2 LYS A 8 10.239 -12.613 -8.300 1.00 1.21 H new ATOM 0 HE3 LYS A 8 8.878 -13.396 -9.077 1.00 1.21 H new ATOM 0 HZ1 LYS A 8 8.056 -11.455 -9.774 1.00 10.14 H new ATOM 0 HZ2 LYS A 8 8.359 -10.663 -8.302 1.00 10.14 H new ATOM 0 HZ3 LYS A 8 9.601 -10.830 -9.448 1.00 10.14 H new ATOM 136 N ASP A 9 4.742 -9.216 -6.683 1.00 62.51 N ATOM 137 CA ASP A 9 3.577 -8.349 -6.715 1.00 40.10 C ATOM 138 C ASP A 9 2.617 -8.832 -7.804 1.00 13.32 C ATOM 139 O ASP A 9 1.450 -8.442 -7.825 1.00 62.20 O ATOM 140 CB ASP A 9 3.973 -6.907 -7.039 1.00 53.02 C ATOM 141 CG ASP A 9 2.806 -5.922 -7.135 1.00 73.24 C ATOM 142 OD1 ASP A 9 1.707 -6.182 -6.622 1.00 42.33 O ATOM 143 OD2 ASP A 9 3.063 -4.834 -7.778 1.00 55.25 O ATOM 0 H ASP A 9 5.624 -8.753 -6.900 1.00 62.51 H new ATOM 0 HA ASP A 9 3.105 -8.382 -5.733 1.00 40.10 H new ATOM 0 HB2 ASP A 9 4.664 -6.555 -6.273 1.00 53.02 H new ATOM 0 HB3 ASP A 9 4.515 -6.899 -7.985 1.00 53.02 H new ATOM 149 N ALA A 10 3.143 -9.673 -8.682 1.00 30.13 N ATOM 150 CA ALA A 10 2.347 -10.213 -9.771 1.00 20.33 C ATOM 151 C ALA A 10 1.587 -11.447 -9.278 1.00 45.24 C ATOM 152 O ALA A 10 0.604 -11.860 -9.891 1.00 10.03 O ATOM 153 CB ALA A 10 3.256 -10.525 -10.962 1.00 14.24 C ATOM 0 H ALA A 10 4.111 -9.994 -8.661 1.00 30.13 H new ATOM 0 HA ALA A 10 1.610 -9.484 -10.106 1.00 20.33 H new ATOM 0 HB1 ALA A 10 2.659 -10.930 -11.779 1.00 14.24 H new ATOM 0 HB2 ALA A 10 3.750 -9.611 -11.292 1.00 14.24 H new ATOM 0 HB3 ALA A 10 4.007 -11.256 -10.664 1.00 14.24 H new ATOM 159 N GLU A 11 2.073 -12.000 -8.177 1.00 33.42 N ATOM 160 CA GLU A 11 1.452 -13.178 -7.595 1.00 71.43 C ATOM 161 C GLU A 11 0.340 -12.769 -6.627 1.00 60.31 C ATOM 162 O GLU A 11 -0.834 -13.041 -6.874 1.00 40.42 O ATOM 163 CB GLU A 11 2.491 -14.058 -6.897 1.00 1.53 C ATOM 164 CG GLU A 11 3.240 -14.929 -7.907 1.00 4.21 C ATOM 165 CD GLU A 11 4.595 -15.371 -7.350 1.00 62.45 C ATOM 166 OE1 GLU A 11 5.442 -15.873 -8.105 1.00 54.24 O ATOM 167 OE2 GLU A 11 4.755 -15.178 -6.085 1.00 54.41 O ATOM 0 H GLU A 11 2.889 -11.655 -7.672 1.00 33.42 H new ATOM 0 HA GLU A 11 1.009 -13.765 -8.399 1.00 71.43 H new ATOM 0 HB2 GLU A 11 3.200 -13.431 -6.356 1.00 1.53 H new ATOM 0 HB3 GLU A 11 1.999 -14.692 -6.159 1.00 1.53 H new ATOM 0 HG2 GLU A 11 2.640 -15.805 -8.152 1.00 4.21 H new ATOM 0 HG3 GLU A 11 3.387 -14.374 -8.833 1.00 4.21 H new ATOM 175 N VAL A 12 0.749 -12.123 -5.545 1.00 62.03 N ATOM 176 CA VAL A 12 -0.198 -11.674 -4.539 1.00 3.21 C ATOM 177 C VAL A 12 -1.404 -11.035 -5.229 1.00 75.14 C ATOM 178 O VAL A 12 -2.512 -11.054 -4.695 1.00 0.14 O ATOM 179 CB VAL A 12 0.495 -10.731 -3.553 1.00 32.14 C ATOM 180 CG1 VAL A 12 1.659 -11.432 -2.849 1.00 72.15 C ATOM 181 CG2 VAL A 12 0.965 -9.455 -4.253 1.00 5.45 C ATOM 0 H VAL A 12 1.724 -11.900 -5.343 1.00 62.03 H new ATOM 0 HA VAL A 12 -0.566 -12.519 -3.957 1.00 3.21 H new ATOM 0 HB VAL A 12 -0.233 -10.447 -2.793 1.00 32.14 H new ATOM 0 HG11 VAL A 12 2.134 -10.740 -2.154 1.00 72.15 H new ATOM 0 HG12 VAL A 12 1.285 -12.297 -2.301 1.00 72.15 H new ATOM 0 HG13 VAL A 12 2.388 -11.760 -3.590 1.00 72.15 H new ATOM 0 HG21 VAL A 12 1.454 -8.802 -3.530 1.00 5.45 H new ATOM 0 HG22 VAL A 12 1.669 -9.712 -5.044 1.00 5.45 H new ATOM 0 HG23 VAL A 12 0.107 -8.940 -4.685 1.00 5.45 H new ATOM 191 N THR A 13 -1.149 -10.485 -6.407 1.00 52.32 N ATOM 192 CA THR A 13 -2.201 -9.841 -7.176 1.00 62.44 C ATOM 193 C THR A 13 -3.457 -10.715 -7.197 1.00 2.31 C ATOM 194 O THR A 13 -4.551 -10.241 -6.895 1.00 73.51 O ATOM 195 CB THR A 13 -1.649 -9.538 -8.571 1.00 23.23 C ATOM 196 OG1 THR A 13 -2.342 -8.359 -8.969 1.00 44.35 O ATOM 197 CG2 THR A 13 -2.067 -10.584 -9.606 1.00 62.13 C ATOM 0 H THR A 13 -0.229 -10.472 -6.848 1.00 52.32 H new ATOM 0 HA THR A 13 -2.505 -8.899 -6.719 1.00 62.44 H new ATOM 0 HB THR A 13 -0.561 -9.486 -8.528 1.00 23.23 H new ATOM 0 HG1 THR A 13 -2.044 -8.090 -9.863 1.00 44.35 H new ATOM 0 HG21 THR A 13 -1.649 -10.322 -10.578 1.00 62.13 H new ATOM 0 HG22 THR A 13 -1.696 -11.563 -9.304 1.00 62.13 H new ATOM 0 HG23 THR A 13 -3.154 -10.613 -9.675 1.00 62.13 H new ATOM 205 N ALA A 14 -3.257 -11.974 -7.556 1.00 31.31 N ATOM 206 CA ALA A 14 -4.360 -12.918 -7.620 1.00 20.23 C ATOM 207 C ALA A 14 -5.069 -12.960 -6.264 1.00 64.34 C ATOM 208 O ALA A 14 -6.276 -13.186 -6.198 1.00 0.21 O ATOM 209 CB ALA A 14 -3.834 -14.290 -8.045 1.00 62.35 C ATOM 0 H ALA A 14 -2.348 -12.363 -7.806 1.00 31.31 H new ATOM 0 HA ALA A 14 -5.091 -12.604 -8.365 1.00 20.23 H new ATOM 0 HB1 ALA A 14 -4.661 -14.998 -8.093 1.00 62.35 H new ATOM 0 HB2 ALA A 14 -3.366 -14.212 -9.026 1.00 62.35 H new ATOM 0 HB3 ALA A 14 -3.100 -14.639 -7.319 1.00 62.35 H new ATOM 215 N ALA A 15 -4.288 -12.740 -5.217 1.00 44.21 N ATOM 216 CA ALA A 15 -4.825 -12.750 -3.867 1.00 53.22 C ATOM 217 C ALA A 15 -5.625 -11.467 -3.632 1.00 75.12 C ATOM 218 O ALA A 15 -6.513 -11.432 -2.781 1.00 41.02 O ATOM 219 CB ALA A 15 -3.683 -12.916 -2.864 1.00 25.34 C ATOM 0 H ALA A 15 -3.287 -12.554 -5.276 1.00 44.21 H new ATOM 0 HA ALA A 15 -5.503 -13.592 -3.730 1.00 53.22 H new ATOM 0 HB1 ALA A 15 -4.086 -12.923 -1.851 1.00 25.34 H new ATOM 0 HB2 ALA A 15 -3.165 -13.856 -3.055 1.00 25.34 H new ATOM 0 HB3 ALA A 15 -2.983 -12.087 -2.970 1.00 25.34 H new ATOM 225 N LEU A 16 -5.283 -10.444 -4.402 1.00 23.44 N ATOM 226 CA LEU A 16 -5.958 -9.163 -4.288 1.00 11.11 C ATOM 227 C LEU A 16 -7.233 -9.187 -5.133 1.00 14.43 C ATOM 228 O LEU A 16 -8.233 -8.569 -4.771 1.00 55.50 O ATOM 229 CB LEU A 16 -5.005 -8.021 -4.646 1.00 25.13 C ATOM 230 CG LEU A 16 -4.039 -7.583 -3.543 1.00 10.15 C ATOM 231 CD1 LEU A 16 -2.739 -7.036 -4.137 1.00 35.34 C ATOM 232 CD2 LEU A 16 -4.704 -6.579 -2.598 1.00 73.44 C ATOM 0 H LEU A 16 -4.547 -10.477 -5.107 1.00 23.44 H new ATOM 0 HA LEU A 16 -6.261 -8.983 -3.257 1.00 11.11 H new ATOM 0 HB2 LEU A 16 -4.420 -8.321 -5.516 1.00 25.13 H new ATOM 0 HB3 LEU A 16 -5.600 -7.158 -4.944 1.00 25.13 H new ATOM 0 HG LEU A 16 -3.778 -8.460 -2.950 1.00 10.15 H new ATOM 0 HD11 LEU A 16 -2.071 -6.732 -3.331 1.00 35.34 H new ATOM 0 HD12 LEU A 16 -2.258 -7.810 -4.735 1.00 35.34 H new ATOM 0 HD13 LEU A 16 -2.961 -6.176 -4.768 1.00 35.34 H new ATOM 0 HD21 LEU A 16 -3.996 -6.284 -1.824 1.00 73.44 H new ATOM 0 HD22 LEU A 16 -5.013 -5.699 -3.161 1.00 73.44 H new ATOM 0 HD23 LEU A 16 -5.577 -7.038 -2.135 1.00 73.44 H new ATOM 244 N ASP A 17 -7.157 -9.907 -6.242 1.00 43.43 N ATOM 245 CA ASP A 17 -8.292 -10.019 -7.142 1.00 15.04 C ATOM 246 C ASP A 17 -9.135 -11.232 -6.743 1.00 30.22 C ATOM 247 O ASP A 17 -10.293 -11.346 -7.141 1.00 72.10 O ATOM 248 CB ASP A 17 -7.833 -10.217 -8.587 1.00 62.23 C ATOM 249 CG ASP A 17 -8.803 -9.699 -9.651 1.00 60.30 C ATOM 250 OD1 ASP A 17 -8.770 -8.517 -10.024 1.00 61.33 O ATOM 251 OD2 ASP A 17 -9.630 -10.577 -10.108 1.00 34.31 O ATOM 0 H ASP A 17 -6.326 -10.419 -6.538 1.00 43.43 H new ATOM 0 HA ASP A 17 -8.870 -9.098 -7.071 1.00 15.04 H new ATOM 0 HB2 ASP A 17 -6.873 -9.718 -8.719 1.00 62.23 H new ATOM 0 HB3 ASP A 17 -7.666 -11.281 -8.757 1.00 62.23 H new ATOM 257 N GLY A 18 -8.521 -12.108 -5.961 1.00 64.13 N ATOM 258 CA GLY A 18 -9.200 -13.309 -5.504 1.00 44.33 C ATOM 259 C GLY A 18 -10.289 -12.968 -4.485 1.00 25.43 C ATOM 260 O GLY A 18 -11.034 -13.845 -4.051 1.00 71.53 O ATOM 0 H GLY A 18 -7.560 -12.010 -5.632 1.00 64.13 H new ATOM 0 HA2 GLY A 18 -9.642 -13.827 -6.355 1.00 44.33 H new ATOM 0 HA3 GLY A 18 -8.478 -13.991 -5.056 1.00 44.33 H new ATOM 264 N CYS A 19 -10.346 -11.693 -4.131 1.00 43.34 N ATOM 265 CA CYS A 19 -11.331 -11.226 -3.171 1.00 10.30 C ATOM 266 C CYS A 19 -11.901 -9.898 -3.675 1.00 35.51 C ATOM 267 O CYS A 19 -12.428 -9.108 -2.893 1.00 22.21 O ATOM 268 CB CYS A 19 -10.735 -11.095 -1.768 1.00 13.22 C ATOM 269 SG CYS A 19 -9.248 -10.030 -1.816 1.00 41.12 S ATOM 0 H CYS A 19 -9.726 -10.968 -4.492 1.00 43.34 H new ATOM 0 HA CYS A 19 -12.135 -11.957 -3.086 1.00 10.30 H new ATOM 0 HB2 CYS A 19 -11.474 -10.671 -1.088 1.00 13.22 H new ATOM 0 HB3 CYS A 19 -10.474 -12.080 -1.381 1.00 13.22 H new ATOM 0 HG CYS A 19 -8.228 -10.727 -2.220 1.00 41.12 H new ATOM 275 N LYS A 20 -11.778 -9.695 -4.978 1.00 43.41 N ATOM 276 CA LYS A 20 -12.274 -8.477 -5.596 1.00 14.34 C ATOM 277 C LYS A 20 -13.767 -8.328 -5.292 1.00 63.21 C ATOM 278 O LYS A 20 -14.316 -7.231 -5.382 1.00 22.25 O ATOM 279 CB LYS A 20 -11.946 -8.461 -7.090 1.00 32.21 C ATOM 280 CG LYS A 20 -11.805 -7.027 -7.605 1.00 60.54 C ATOM 281 CD LYS A 20 -12.225 -6.929 -9.073 1.00 45.24 C ATOM 282 CE LYS A 20 -13.741 -7.066 -9.220 1.00 53.45 C ATOM 283 NZ LYS A 20 -14.436 -6.309 -8.155 1.00 24.25 N ATOM 0 H LYS A 20 -11.342 -10.354 -5.623 1.00 43.41 H new ATOM 0 HA LYS A 20 -11.773 -7.605 -5.175 1.00 14.34 H new ATOM 0 HB2 LYS A 20 -11.020 -9.008 -7.269 1.00 32.21 H new ATOM 0 HB3 LYS A 20 -12.732 -8.975 -7.644 1.00 32.21 H new ATOM 0 HG2 LYS A 20 -12.419 -6.358 -7.002 1.00 60.54 H new ATOM 0 HG3 LYS A 20 -10.772 -6.697 -7.496 1.00 60.54 H new ATOM 0 HD2 LYS A 20 -11.901 -5.973 -9.484 1.00 45.24 H new ATOM 0 HD3 LYS A 20 -11.728 -7.709 -9.650 1.00 45.24 H new ATOM 0 HE2 LYS A 20 -14.052 -6.698 -10.198 1.00 53.45 H new ATOM 0 HE3 LYS A 20 -14.023 -8.118 -9.170 1.00 53.45 H new ATOM 0 HZ1 LYS A 20 -15.427 -6.154 -8.430 1.00 24.25 H new ATOM 0 HZ2 LYS A 20 -14.403 -6.850 -7.267 1.00 24.25 H new ATOM 0 HZ3 LYS A 20 -13.967 -5.391 -8.019 1.00 24.25 H new ATOM 296 N ALA A 21 -14.380 -9.448 -4.939 1.00 75.15 N ATOM 297 CA ALA A 21 -15.798 -9.456 -4.622 1.00 75.43 C ATOM 298 C ALA A 21 -15.981 -9.266 -3.115 1.00 43.32 C ATOM 299 O ALA A 21 -15.144 -9.701 -2.325 1.00 74.22 O ATOM 300 CB ALA A 21 -16.427 -10.758 -5.125 1.00 43.45 C ATOM 0 H ALA A 21 -13.921 -10.356 -4.865 1.00 75.15 H new ATOM 0 HA ALA A 21 -16.307 -8.632 -5.123 1.00 75.43 H new ATOM 0 HB1 ALA A 21 -17.491 -10.764 -4.887 1.00 43.45 H new ATOM 0 HB2 ALA A 21 -16.296 -10.832 -6.205 1.00 43.45 H new ATOM 0 HB3 ALA A 21 -15.943 -11.607 -4.642 1.00 43.45 H new ATOM 306 N ALA A 22 -17.079 -8.614 -2.762 1.00 20.40 N ATOM 307 CA ALA A 22 -17.382 -8.361 -1.364 1.00 4.34 C ATOM 308 C ALA A 22 -17.927 -9.639 -0.724 1.00 72.13 C ATOM 309 O ALA A 22 -18.469 -10.500 -1.415 1.00 72.41 O ATOM 310 CB ALA A 22 -18.362 -7.191 -1.257 1.00 74.24 C ATOM 0 H ALA A 22 -17.770 -8.253 -3.420 1.00 20.40 H new ATOM 0 HA ALA A 22 -16.479 -8.081 -0.821 1.00 4.34 H new ATOM 0 HB1 ALA A 22 -18.589 -7.001 -0.208 1.00 74.24 H new ATOM 0 HB2 ALA A 22 -17.915 -6.300 -1.698 1.00 74.24 H new ATOM 0 HB3 ALA A 22 -19.281 -7.437 -1.789 1.00 74.24 H new ATOM 316 N GLY A 23 -17.765 -9.722 0.588 1.00 21.20 N ATOM 317 CA GLY A 23 -18.234 -10.881 1.328 1.00 33.03 C ATOM 318 C GLY A 23 -17.798 -12.180 0.648 1.00 60.11 C ATOM 319 O GLY A 23 -18.415 -13.226 0.845 1.00 51.34 O ATOM 0 H GLY A 23 -17.315 -9.005 1.158 1.00 21.20 H new ATOM 0 HA2 GLY A 23 -17.843 -10.850 2.345 1.00 33.03 H new ATOM 0 HA3 GLY A 23 -19.321 -10.853 1.403 1.00 33.03 H new ATOM 323 N SER A 24 -16.737 -12.071 -0.139 1.00 34.33 N ATOM 324 CA SER A 24 -16.211 -13.224 -0.849 1.00 73.34 C ATOM 325 C SER A 24 -14.692 -13.292 -0.685 1.00 3.12 C ATOM 326 O SER A 24 -14.008 -13.951 -1.466 1.00 44.23 O ATOM 327 CB SER A 24 -16.583 -13.173 -2.333 1.00 23.53 C ATOM 328 OG SER A 24 -16.809 -14.473 -2.871 1.00 73.31 O ATOM 0 H SER A 24 -16.228 -11.202 -0.300 1.00 34.33 H new ATOM 0 HA SER A 24 -16.656 -14.122 -0.421 1.00 73.34 H new ATOM 0 HB2 SER A 24 -17.479 -12.566 -2.462 1.00 23.53 H new ATOM 0 HB3 SER A 24 -15.784 -12.684 -2.890 1.00 23.53 H new ATOM 0 HG SER A 24 -17.045 -14.398 -3.819 1.00 73.31 H new ATOM 334 N PHE A 25 -14.208 -12.601 0.337 1.00 30.12 N ATOM 335 CA PHE A 25 -12.782 -12.574 0.614 1.00 21.45 C ATOM 336 C PHE A 25 -12.366 -13.776 1.465 1.00 30.31 C ATOM 337 O PHE A 25 -13.048 -14.126 2.427 1.00 73.42 O ATOM 338 CB PHE A 25 -12.502 -11.290 1.397 1.00 55.30 C ATOM 339 CG PHE A 25 -11.202 -11.322 2.203 1.00 73.41 C ATOM 340 CD1 PHE A 25 -10.010 -11.122 1.579 1.00 14.01 C ATOM 341 CD2 PHE A 25 -11.238 -11.552 3.543 1.00 54.22 C ATOM 342 CE1 PHE A 25 -8.804 -11.152 2.327 1.00 62.30 C ATOM 343 CE2 PHE A 25 -10.032 -11.582 4.291 1.00 64.22 C ATOM 344 CZ PHE A 25 -8.840 -11.382 3.667 1.00 42.20 C ATOM 0 H PHE A 25 -14.778 -12.056 0.983 1.00 30.12 H new ATOM 0 HA PHE A 25 -12.221 -12.612 -0.320 1.00 21.45 H new ATOM 0 HB2 PHE A 25 -12.464 -10.453 0.700 1.00 55.30 H new ATOM 0 HB3 PHE A 25 -13.334 -11.102 2.076 1.00 55.30 H new ATOM 0 HD1 PHE A 25 -9.981 -10.940 0.515 1.00 14.01 H new ATOM 0 HD2 PHE A 25 -12.184 -11.712 4.038 1.00 54.22 H new ATOM 0 HE1 PHE A 25 -7.858 -10.992 1.832 1.00 62.30 H new ATOM 0 HE2 PHE A 25 -10.061 -11.764 5.355 1.00 64.22 H new ATOM 0 HZ PHE A 25 -7.922 -11.406 4.236 1.00 42.20 H new ATOM 354 N ASP A 26 -11.249 -14.375 1.080 1.00 44.01 N ATOM 355 CA ASP A 26 -10.734 -15.530 1.795 1.00 23.32 C ATOM 356 C ASP A 26 -9.276 -15.276 2.184 1.00 61.14 C ATOM 357 O ASP A 26 -8.401 -15.216 1.321 1.00 53.13 O ATOM 358 CB ASP A 26 -10.778 -16.784 0.920 1.00 31.52 C ATOM 359 CG ASP A 26 -12.173 -17.376 0.708 1.00 30.24 C ATOM 360 OD1 ASP A 26 -12.473 -17.940 -0.354 1.00 61.15 O ATOM 361 OD2 ASP A 26 -12.981 -17.238 1.705 1.00 63.42 O ATOM 0 H ASP A 26 -10.686 -14.082 0.282 1.00 44.01 H new ATOM 0 HA ASP A 26 -11.355 -15.684 2.678 1.00 23.32 H new ATOM 0 HB2 ASP A 26 -10.350 -16.545 -0.053 1.00 31.52 H new ATOM 0 HB3 ASP A 26 -10.141 -17.545 1.370 1.00 31.52 H new ATOM 367 N HIS A 27 -9.059 -15.134 3.483 1.00 52.42 N ATOM 368 CA HIS A 27 -7.722 -14.887 3.996 1.00 33.31 C ATOM 369 C HIS A 27 -6.843 -16.114 3.748 1.00 70.53 C ATOM 370 O HIS A 27 -5.808 -16.019 3.089 1.00 14.54 O ATOM 371 CB HIS A 27 -7.773 -14.482 5.471 1.00 64.54 C ATOM 372 CG HIS A 27 -7.723 -15.648 6.429 1.00 35.15 C ATOM 373 ND1 HIS A 27 -8.826 -16.074 7.149 1.00 74.12 N ATOM 374 CD2 HIS A 27 -6.694 -16.472 6.779 1.00 72.34 C ATOM 375 CE1 HIS A 27 -8.465 -17.108 7.895 1.00 55.13 C ATOM 376 NE2 HIS A 27 -7.144 -17.353 7.664 1.00 4.22 N ATOM 0 H HIS A 27 -9.787 -15.185 4.196 1.00 52.42 H new ATOM 0 HA HIS A 27 -7.273 -14.048 3.464 1.00 33.31 H new ATOM 0 HB2 HIS A 27 -6.938 -13.814 5.683 1.00 64.54 H new ATOM 0 HB3 HIS A 27 -8.687 -13.916 5.651 1.00 64.54 H new ATOM 0 HD2 HIS A 27 -5.684 -16.417 6.400 1.00 72.34 H new ATOM 0 HE1 HIS A 27 -9.105 -17.660 8.568 1.00 55.13 H new ATOM 0 HE2 HIS A 27 -6.592 -18.092 8.100 1.00 4.22 H new ATOM 384 N LYS A 28 -7.287 -17.240 4.288 1.00 51.21 N ATOM 385 CA LYS A 28 -6.554 -18.485 4.133 1.00 3.43 C ATOM 386 C LYS A 28 -6.095 -18.624 2.680 1.00 4.14 C ATOM 387 O LYS A 28 -4.928 -18.915 2.419 1.00 34.44 O ATOM 388 CB LYS A 28 -7.391 -19.665 4.629 1.00 31.15 C ATOM 389 CG LYS A 28 -8.615 -19.882 3.738 1.00 73.13 C ATOM 390 CD LYS A 28 -9.673 -20.724 4.454 1.00 31.00 C ATOM 391 CE LYS A 28 -9.350 -22.216 4.349 1.00 40.22 C ATOM 392 NZ LYS A 28 -10.581 -23.024 4.496 1.00 61.32 N ATOM 0 H LYS A 28 -8.146 -17.316 4.834 1.00 51.21 H new ATOM 0 HA LYS A 28 -5.657 -18.478 4.752 1.00 3.43 H new ATOM 0 HB2 LYS A 28 -6.781 -20.568 4.641 1.00 31.15 H new ATOM 0 HB3 LYS A 28 -7.711 -19.483 5.655 1.00 31.15 H new ATOM 0 HG2 LYS A 28 -9.041 -18.918 3.458 1.00 73.13 H new ATOM 0 HG3 LYS A 28 -8.314 -20.378 2.815 1.00 73.13 H new ATOM 0 HD2 LYS A 28 -9.726 -20.433 5.503 1.00 31.00 H new ATOM 0 HD3 LYS A 28 -10.653 -20.529 4.019 1.00 31.00 H new ATOM 0 HE2 LYS A 28 -8.883 -22.426 3.387 1.00 40.22 H new ATOM 0 HE3 LYS A 28 -8.631 -22.494 5.120 1.00 40.22 H new ATOM 0 HZ1 LYS A 28 -10.581 -23.788 3.790 1.00 61.32 H new ATOM 0 HZ2 LYS A 28 -10.615 -23.435 5.451 1.00 61.32 H new ATOM 0 HZ3 LYS A 28 -11.414 -22.418 4.350 1.00 61.32 H new ATOM 405 N LYS A 29 -7.036 -18.409 1.773 1.00 65.02 N ATOM 406 CA LYS A 29 -6.742 -18.507 0.353 1.00 12.00 C ATOM 407 C LYS A 29 -5.682 -17.468 -0.017 1.00 52.42 C ATOM 408 O LYS A 29 -4.668 -17.801 -0.628 1.00 51.44 O ATOM 409 CB LYS A 29 -8.028 -18.394 -0.469 1.00 2.23 C ATOM 410 CG LYS A 29 -8.728 -19.750 -0.581 1.00 42.21 C ATOM 411 CD LYS A 29 -9.727 -19.947 0.560 1.00 34.03 C ATOM 412 CE LYS A 29 -9.884 -21.430 0.902 1.00 71.24 C ATOM 413 NZ LYS A 29 -11.030 -21.633 1.816 1.00 23.34 N ATOM 0 H LYS A 29 -8.002 -18.167 1.993 1.00 65.02 H new ATOM 0 HA LYS A 29 -6.325 -19.486 0.117 1.00 12.00 H new ATOM 0 HB2 LYS A 29 -8.699 -17.672 -0.004 1.00 2.23 H new ATOM 0 HB3 LYS A 29 -7.795 -18.017 -1.465 1.00 2.23 H new ATOM 0 HG2 LYS A 29 -9.245 -19.818 -1.538 1.00 42.21 H new ATOM 0 HG3 LYS A 29 -7.987 -20.549 -0.562 1.00 42.21 H new ATOM 0 HD2 LYS A 29 -9.390 -19.401 1.441 1.00 34.03 H new ATOM 0 HD3 LYS A 29 -10.694 -19.531 0.277 1.00 34.03 H new ATOM 0 HE2 LYS A 29 -10.033 -22.006 -0.011 1.00 71.24 H new ATOM 0 HE3 LYS A 29 -8.970 -21.801 1.367 1.00 71.24 H new ATOM 0 HZ1 LYS A 29 -10.965 -22.576 2.250 1.00 23.34 H new ATOM 0 HZ2 LYS A 29 -11.013 -20.907 2.561 1.00 23.34 H new ATOM 0 HZ3 LYS A 29 -11.918 -21.559 1.281 1.00 23.34 H new ATOM 426 N PHE A 30 -5.953 -16.229 0.369 1.00 74.44 N ATOM 427 CA PHE A 30 -5.036 -15.139 0.085 1.00 64.21 C ATOM 428 C PHE A 30 -3.591 -15.546 0.385 1.00 74.15 C ATOM 429 O PHE A 30 -2.760 -15.609 -0.520 1.00 32.41 O ATOM 430 CB PHE A 30 -5.426 -13.977 1.000 1.00 43.32 C ATOM 431 CG PHE A 30 -5.169 -12.595 0.394 1.00 31.13 C ATOM 432 CD1 PHE A 30 -3.895 -12.182 0.159 1.00 1.33 C ATOM 433 CD2 PHE A 30 -6.215 -11.781 0.091 1.00 11.41 C ATOM 434 CE1 PHE A 30 -3.657 -10.900 -0.403 1.00 2.45 C ATOM 435 CE2 PHE A 30 -5.977 -10.498 -0.471 1.00 20.43 C ATOM 436 CZ PHE A 30 -4.703 -10.085 -0.706 1.00 2.03 C ATOM 0 H PHE A 30 -6.795 -15.957 0.876 1.00 74.44 H new ATOM 0 HA PHE A 30 -5.097 -14.866 -0.968 1.00 64.21 H new ATOM 0 HB2 PHE A 30 -6.484 -14.063 1.248 1.00 43.32 H new ATOM 0 HB3 PHE A 30 -4.871 -14.062 1.934 1.00 43.32 H new ATOM 0 HD1 PHE A 30 -3.064 -12.829 0.400 1.00 1.33 H new ATOM 0 HD2 PHE A 30 -7.227 -12.110 0.278 1.00 11.41 H new ATOM 0 HE1 PHE A 30 -2.645 -10.572 -0.590 1.00 2.45 H new ATOM 0 HE2 PHE A 30 -6.808 -9.851 -0.711 1.00 20.43 H new ATOM 0 HZ PHE A 30 -4.522 -9.110 -1.133 1.00 2.03 H new ATOM 446 N PHE A 31 -3.337 -15.811 1.657 1.00 31.54 N ATOM 447 CA PHE A 31 -2.008 -16.211 2.088 1.00 42.53 C ATOM 448 C PHE A 31 -1.447 -17.312 1.186 1.00 74.30 C ATOM 449 O PHE A 31 -0.234 -17.431 1.026 1.00 44.21 O ATOM 450 CB PHE A 31 -2.143 -16.753 3.512 1.00 43.21 C ATOM 451 CG PHE A 31 -2.451 -15.681 4.559 1.00 3.13 C ATOM 452 CD1 PHE A 31 -1.483 -14.804 4.939 1.00 13.51 C ATOM 453 CD2 PHE A 31 -3.692 -15.605 5.111 1.00 64.44 C ATOM 454 CE1 PHE A 31 -1.769 -13.809 5.911 1.00 11.23 C ATOM 455 CE2 PHE A 31 -3.977 -14.611 6.083 1.00 54.42 C ATOM 456 CZ PHE A 31 -3.010 -13.733 6.463 1.00 70.34 C ATOM 0 H PHE A 31 -4.029 -15.757 2.404 1.00 31.54 H new ATOM 0 HA PHE A 31 -1.330 -15.359 2.040 1.00 42.53 H new ATOM 0 HB2 PHE A 31 -2.934 -17.503 3.531 1.00 43.21 H new ATOM 0 HB3 PHE A 31 -1.217 -17.259 3.786 1.00 43.21 H new ATOM 0 HD1 PHE A 31 -0.497 -14.864 4.502 1.00 13.51 H new ATOM 0 HD2 PHE A 31 -4.461 -16.301 4.809 1.00 64.44 H new ATOM 0 HE1 PHE A 31 -1.001 -13.112 6.212 1.00 11.23 H new ATOM 0 HE2 PHE A 31 -4.962 -14.552 6.521 1.00 54.42 H new ATOM 0 HZ PHE A 31 -3.227 -12.976 7.202 1.00 70.34 H new ATOM 466 N LYS A 32 -2.358 -18.091 0.621 1.00 54.44 N ATOM 467 CA LYS A 32 -1.970 -19.179 -0.261 1.00 13.42 C ATOM 468 C LYS A 32 -1.540 -18.605 -1.613 1.00 32.54 C ATOM 469 O LYS A 32 -0.392 -18.768 -2.023 1.00 0.13 O ATOM 470 CB LYS A 32 -3.093 -20.214 -0.361 1.00 2.43 C ATOM 471 CG LYS A 32 -2.528 -21.612 -0.619 1.00 41.24 C ATOM 472 CD LYS A 32 -2.326 -21.853 -2.117 1.00 21.24 C ATOM 473 CE LYS A 32 -2.497 -23.334 -2.461 1.00 55.03 C ATOM 474 NZ LYS A 32 -2.017 -23.605 -3.835 1.00 33.43 N ATOM 0 H LYS A 32 -3.364 -17.990 0.757 1.00 54.44 H new ATOM 0 HA LYS A 32 -1.111 -19.713 0.147 1.00 13.42 H new ATOM 0 HB2 LYS A 32 -3.673 -20.217 0.562 1.00 2.43 H new ATOM 0 HB3 LYS A 32 -3.775 -19.939 -1.166 1.00 2.43 H new ATOM 0 HG2 LYS A 32 -1.578 -21.726 -0.097 1.00 41.24 H new ATOM 0 HG3 LYS A 32 -3.206 -22.363 -0.214 1.00 41.24 H new ATOM 0 HD2 LYS A 32 -3.042 -21.259 -2.685 1.00 21.24 H new ATOM 0 HD3 LYS A 32 -1.331 -21.520 -2.412 1.00 21.24 H new ATOM 0 HE2 LYS A 32 -1.943 -23.945 -1.749 1.00 55.03 H new ATOM 0 HE3 LYS A 32 -3.547 -23.615 -2.374 1.00 55.03 H new ATOM 0 HZ1 LYS A 32 -2.140 -24.614 -4.053 1.00 33.43 H new ATOM 0 HZ2 LYS A 32 -2.563 -23.035 -4.512 1.00 33.43 H new ATOM 0 HZ3 LYS A 32 -1.010 -23.356 -3.906 1.00 33.43 H new ATOM 487 N ALA A 33 -2.485 -17.947 -2.268 1.00 2.24 N ATOM 488 CA ALA A 33 -2.218 -17.349 -3.565 1.00 10.43 C ATOM 489 C ALA A 33 -1.036 -16.384 -3.443 1.00 74.24 C ATOM 490 O ALA A 33 -0.389 -16.062 -4.438 1.00 62.22 O ATOM 491 CB ALA A 33 -3.483 -16.659 -4.079 1.00 12.21 C ATOM 0 H ALA A 33 -3.436 -17.815 -1.925 1.00 2.24 H new ATOM 0 HA ALA A 33 -1.946 -18.114 -4.292 1.00 10.43 H new ATOM 0 HB1 ALA A 33 -3.283 -16.210 -5.052 1.00 12.21 H new ATOM 0 HB2 ALA A 33 -4.284 -17.392 -4.175 1.00 12.21 H new ATOM 0 HB3 ALA A 33 -3.785 -15.882 -3.376 1.00 12.21 H new ATOM 497 N CYS A 34 -0.792 -15.950 -2.216 1.00 24.43 N ATOM 498 CA CYS A 34 0.301 -15.029 -1.951 1.00 73.34 C ATOM 499 C CYS A 34 1.568 -15.848 -1.695 1.00 51.44 C ATOM 500 O CYS A 34 2.678 -15.357 -1.893 1.00 63.14 O ATOM 501 CB CYS A 34 -0.019 -14.093 -0.785 1.00 11.53 C ATOM 502 SG CYS A 34 -0.818 -12.568 -1.407 1.00 64.10 S ATOM 0 H CYS A 34 -1.332 -16.219 -1.394 1.00 24.43 H new ATOM 0 HA CYS A 34 0.455 -14.385 -2.816 1.00 73.34 H new ATOM 0 HB2 CYS A 34 -0.677 -14.595 -0.075 1.00 11.53 H new ATOM 0 HB3 CYS A 34 0.896 -13.841 -0.248 1.00 11.53 H new ATOM 0 HG CYS A 34 -2.007 -12.460 -0.892 1.00 64.10 H new ATOM 508 N GLY A 35 1.359 -17.081 -1.259 1.00 63.11 N ATOM 509 CA GLY A 35 2.471 -17.972 -0.974 1.00 61.11 C ATOM 510 C GLY A 35 2.791 -17.988 0.522 1.00 22.30 C ATOM 511 O GLY A 35 3.437 -18.913 1.012 1.00 22.03 O ATOM 0 H GLY A 35 0.436 -17.484 -1.096 1.00 63.11 H new ATOM 0 HA2 GLY A 35 2.228 -18.981 -1.308 1.00 61.11 H new ATOM 0 HA3 GLY A 35 3.350 -17.653 -1.534 1.00 61.11 H new ATOM 515 N LEU A 36 2.324 -16.954 1.206 1.00 43.23 N ATOM 516 CA LEU A 36 2.553 -16.837 2.636 1.00 73.50 C ATOM 517 C LEU A 36 2.270 -18.184 3.304 1.00 21.44 C ATOM 518 O LEU A 36 3.131 -18.734 3.989 1.00 22.33 O ATOM 519 CB LEU A 36 1.738 -15.680 3.216 1.00 13.13 C ATOM 520 CG LEU A 36 2.363 -14.289 3.089 1.00 71.33 C ATOM 521 CD1 LEU A 36 1.397 -13.207 3.575 1.00 71.20 C ATOM 522 CD2 LEU A 36 3.708 -14.224 3.814 1.00 25.40 C ATOM 0 H LEU A 36 1.788 -16.189 0.796 1.00 43.23 H new ATOM 0 HA LEU A 36 3.596 -16.593 2.837 1.00 73.50 H new ATOM 0 HB2 LEU A 36 0.765 -15.665 2.725 1.00 13.13 H new ATOM 0 HB3 LEU A 36 1.559 -15.881 4.272 1.00 13.13 H new ATOM 0 HG LEU A 36 2.557 -14.097 2.034 1.00 71.33 H new ATOM 0 HD11 LEU A 36 1.866 -12.228 3.474 1.00 71.20 H new ATOM 0 HD12 LEU A 36 0.487 -13.237 2.976 1.00 71.20 H new ATOM 0 HD13 LEU A 36 1.149 -13.384 4.622 1.00 71.20 H new ATOM 0 HD21 LEU A 36 4.131 -13.225 3.708 1.00 25.40 H new ATOM 0 HD22 LEU A 36 3.563 -14.446 4.871 1.00 25.40 H new ATOM 0 HD23 LEU A 36 4.391 -14.955 3.380 1.00 25.40 H new ATOM 534 N SER A 37 1.060 -18.677 3.082 1.00 4.01 N ATOM 535 CA SER A 37 0.654 -19.949 3.654 1.00 35.13 C ATOM 536 C SER A 37 1.604 -21.057 3.196 1.00 71.02 C ATOM 537 O SER A 37 1.505 -21.537 2.067 1.00 4.34 O ATOM 538 CB SER A 37 -0.787 -20.291 3.268 1.00 64.43 C ATOM 539 OG SER A 37 -1.302 -21.376 4.036 1.00 52.44 O ATOM 0 H SER A 37 0.348 -18.218 2.514 1.00 4.01 H new ATOM 0 HA SER A 37 0.701 -19.866 4.740 1.00 35.13 H new ATOM 0 HB2 SER A 37 -1.418 -19.414 3.410 1.00 64.43 H new ATOM 0 HB3 SER A 37 -0.828 -20.545 2.209 1.00 64.43 H new ATOM 0 HG SER A 37 -2.224 -21.563 3.761 1.00 52.44 H new ATOM 545 N GLY A 38 2.503 -21.431 4.094 1.00 34.25 N ATOM 546 CA GLY A 38 3.470 -22.474 3.796 1.00 10.34 C ATOM 547 C GLY A 38 4.901 -21.953 3.945 1.00 51.54 C ATOM 548 O GLY A 38 5.820 -22.722 4.219 1.00 23.13 O ATOM 0 H GLY A 38 2.582 -21.030 5.029 1.00 34.25 H new ATOM 0 HA2 GLY A 38 3.316 -23.320 4.465 1.00 10.34 H new ATOM 0 HA3 GLY A 38 3.316 -22.839 2.780 1.00 10.34 H new ATOM 552 N LYS A 39 5.044 -20.649 3.756 1.00 4.01 N ATOM 553 CA LYS A 39 6.348 -20.016 3.865 1.00 33.04 C ATOM 554 C LYS A 39 6.961 -20.352 5.226 1.00 34.14 C ATOM 555 O LYS A 39 6.434 -21.188 5.959 1.00 13.21 O ATOM 556 CB LYS A 39 6.238 -18.514 3.594 1.00 25.21 C ATOM 557 CG LYS A 39 6.342 -18.219 2.096 1.00 12.34 C ATOM 558 CD LYS A 39 7.711 -18.630 1.550 1.00 55.53 C ATOM 559 CE LYS A 39 8.177 -17.664 0.459 1.00 45.23 C ATOM 560 NZ LYS A 39 8.961 -18.384 -0.570 1.00 50.20 N ATOM 0 H LYS A 39 4.279 -20.014 3.528 1.00 4.01 H new ATOM 0 HA LYS A 39 7.026 -20.405 3.105 1.00 33.04 H new ATOM 0 HB2 LYS A 39 5.288 -18.140 3.977 1.00 25.21 H new ATOM 0 HB3 LYS A 39 7.028 -17.985 4.128 1.00 25.21 H new ATOM 0 HG2 LYS A 39 5.558 -18.754 1.561 1.00 12.34 H new ATOM 0 HG3 LYS A 39 6.180 -17.156 1.919 1.00 12.34 H new ATOM 0 HD2 LYS A 39 8.440 -18.648 2.361 1.00 55.53 H new ATOM 0 HD3 LYS A 39 7.657 -19.641 1.147 1.00 55.53 H new ATOM 0 HE2 LYS A 39 7.314 -17.184 -0.003 1.00 45.23 H new ATOM 0 HE3 LYS A 39 8.784 -16.873 0.900 1.00 45.23 H new ATOM 0 HZ1 LYS A 39 9.270 -17.714 -1.303 1.00 50.20 H new ATOM 0 HZ2 LYS A 39 9.794 -18.822 -0.128 1.00 50.20 H new ATOM 0 HZ3 LYS A 39 8.370 -19.123 -1.003 1.00 50.20 H new ATOM 573 N SER A 40 8.065 -19.683 5.523 1.00 22.55 N ATOM 574 CA SER A 40 8.755 -19.901 6.784 1.00 45.25 C ATOM 575 C SER A 40 8.196 -18.963 7.855 1.00 11.12 C ATOM 576 O SER A 40 7.942 -17.790 7.587 1.00 1.43 O ATOM 577 CB SER A 40 10.263 -19.691 6.629 1.00 10.30 C ATOM 578 OG SER A 40 10.917 -20.857 6.135 1.00 13.33 O ATOM 0 H SER A 40 8.499 -18.990 4.913 1.00 22.55 H new ATOM 0 HA SER A 40 8.588 -20.933 7.092 1.00 45.25 H new ATOM 0 HB2 SER A 40 10.445 -18.858 5.950 1.00 10.30 H new ATOM 0 HB3 SER A 40 10.692 -19.416 7.593 1.00 10.30 H new ATOM 0 HG SER A 40 11.877 -20.682 6.049 1.00 13.33 H new ATOM 584 N THR A 41 8.020 -19.516 9.046 1.00 10.33 N ATOM 585 CA THR A 41 7.495 -18.743 10.160 1.00 62.34 C ATOM 586 C THR A 41 8.389 -17.533 10.438 1.00 63.52 C ATOM 587 O THR A 41 7.981 -16.601 11.129 1.00 24.52 O ATOM 588 CB THR A 41 7.351 -19.681 11.360 1.00 64.43 C ATOM 589 OG1 THR A 41 6.088 -20.309 11.160 1.00 31.31 O ATOM 590 CG2 THR A 41 7.187 -18.924 12.679 1.00 52.22 C ATOM 0 H THR A 41 8.231 -20.490 9.264 1.00 10.33 H new ATOM 0 HA THR A 41 6.511 -18.334 9.929 1.00 62.34 H new ATOM 0 HB THR A 41 8.225 -20.329 11.421 1.00 64.43 H new ATOM 0 HG1 THR A 41 5.915 -20.936 11.893 1.00 31.31 H new ATOM 0 HG21 THR A 41 7.089 -19.637 13.498 1.00 52.22 H new ATOM 0 HG22 THR A 41 8.061 -18.295 12.848 1.00 52.22 H new ATOM 0 HG23 THR A 41 6.294 -18.300 12.632 1.00 52.22 H new ATOM 598 N ASP A 42 9.592 -17.587 9.885 1.00 61.32 N ATOM 599 CA ASP A 42 10.547 -16.507 10.065 1.00 65.43 C ATOM 600 C ASP A 42 10.075 -15.279 9.285 1.00 53.21 C ATOM 601 O ASP A 42 9.831 -14.224 9.869 1.00 35.43 O ATOM 602 CB ASP A 42 11.928 -16.900 9.536 1.00 25.12 C ATOM 603 CG ASP A 42 13.034 -15.874 9.792 1.00 64.21 C ATOM 604 OD1 ASP A 42 13.499 -15.192 8.866 1.00 23.34 O ATOM 605 OD2 ASP A 42 13.425 -15.788 11.018 1.00 11.23 O ATOM 0 H ASP A 42 9.927 -18.362 9.312 1.00 61.32 H new ATOM 0 HA ASP A 42 10.616 -16.292 11.131 1.00 65.43 H new ATOM 0 HB2 ASP A 42 12.219 -17.847 9.991 1.00 25.12 H new ATOM 0 HB3 ASP A 42 11.854 -17.072 8.462 1.00 25.12 H new ATOM 611 N GLU A 43 9.960 -15.456 7.977 1.00 53.00 N ATOM 612 CA GLU A 43 9.520 -14.375 7.111 1.00 5.11 C ATOM 613 C GLU A 43 8.135 -13.884 7.536 1.00 60.01 C ATOM 614 O GLU A 43 7.865 -12.684 7.516 1.00 33.24 O ATOM 615 CB GLU A 43 9.522 -14.812 5.645 1.00 55.11 C ATOM 616 CG GLU A 43 8.209 -15.507 5.279 1.00 74.10 C ATOM 617 CD GLU A 43 8.198 -15.917 3.805 1.00 33.40 C ATOM 618 OE1 GLU A 43 9.080 -16.669 3.364 1.00 32.33 O ATOM 619 OE2 GLU A 43 7.228 -15.427 3.110 1.00 41.13 O ATOM 0 H GLU A 43 10.164 -16.332 7.496 1.00 53.00 H new ATOM 0 HA GLU A 43 10.222 -13.547 7.210 1.00 5.11 H new ATOM 0 HB2 GLU A 43 9.669 -13.944 5.003 1.00 55.11 H new ATOM 0 HB3 GLU A 43 10.358 -15.488 5.464 1.00 55.11 H new ATOM 0 HG2 GLU A 43 8.073 -16.388 5.906 1.00 74.10 H new ATOM 0 HG3 GLU A 43 7.371 -14.839 5.481 1.00 74.10 H new ATOM 627 N VAL A 44 7.294 -14.837 7.910 1.00 52.21 N ATOM 628 CA VAL A 44 5.943 -14.516 8.339 1.00 71.42 C ATOM 629 C VAL A 44 5.973 -13.254 9.202 1.00 14.23 C ATOM 630 O VAL A 44 5.184 -12.334 8.991 1.00 72.03 O ATOM 631 CB VAL A 44 5.323 -15.717 9.057 1.00 61.24 C ATOM 632 CG1 VAL A 44 4.065 -15.307 9.825 1.00 61.23 C ATOM 633 CG2 VAL A 44 5.020 -16.848 8.072 1.00 62.13 C ATOM 0 H VAL A 44 7.522 -15.831 7.925 1.00 52.21 H new ATOM 0 HA VAL A 44 5.309 -14.306 7.478 1.00 71.42 H new ATOM 0 HB VAL A 44 6.050 -16.088 9.779 1.00 61.24 H new ATOM 0 HG11 VAL A 44 3.644 -16.179 10.326 1.00 61.23 H new ATOM 0 HG12 VAL A 44 4.322 -14.551 10.567 1.00 61.23 H new ATOM 0 HG13 VAL A 44 3.331 -14.899 9.130 1.00 61.23 H new ATOM 0 HG21 VAL A 44 4.580 -17.689 8.608 1.00 62.13 H new ATOM 0 HG22 VAL A 44 4.320 -16.494 7.315 1.00 62.13 H new ATOM 0 HG23 VAL A 44 5.944 -17.168 7.590 1.00 62.13 H new ATOM 643 N LYS A 45 6.891 -13.250 10.157 1.00 31.03 N ATOM 644 CA LYS A 45 7.034 -12.115 11.054 1.00 72.42 C ATOM 645 C LYS A 45 7.362 -10.864 10.237 1.00 24.02 C ATOM 646 O LYS A 45 6.758 -9.812 10.437 1.00 55.24 O ATOM 647 CB LYS A 45 8.058 -12.423 12.148 1.00 44.43 C ATOM 648 CG LYS A 45 7.706 -13.718 12.881 1.00 34.13 C ATOM 649 CD LYS A 45 8.963 -14.404 13.419 1.00 43.04 C ATOM 650 CE LYS A 45 8.626 -15.765 14.031 1.00 4.00 C ATOM 651 NZ LYS A 45 9.834 -16.619 14.092 1.00 53.00 N ATOM 0 H LYS A 45 7.544 -14.015 10.330 1.00 31.03 H new ATOM 0 HA LYS A 45 6.097 -11.919 11.574 1.00 72.42 H new ATOM 0 HB2 LYS A 45 9.051 -12.509 11.707 1.00 44.43 H new ATOM 0 HB3 LYS A 45 8.095 -11.597 12.859 1.00 44.43 H new ATOM 0 HG2 LYS A 45 7.026 -13.500 13.704 1.00 34.13 H new ATOM 0 HG3 LYS A 45 7.181 -14.392 12.204 1.00 34.13 H new ATOM 0 HD2 LYS A 45 9.685 -14.533 12.612 1.00 43.04 H new ATOM 0 HD3 LYS A 45 9.434 -13.770 14.170 1.00 43.04 H new ATOM 0 HE2 LYS A 45 8.218 -15.629 15.033 1.00 4.00 H new ATOM 0 HE3 LYS A 45 7.855 -16.257 13.437 1.00 4.00 H new ATOM 0 HZ1 LYS A 45 9.636 -17.459 14.673 1.00 53.00 H new ATOM 0 HZ2 LYS A 45 10.098 -16.917 13.131 1.00 53.00 H new ATOM 0 HZ3 LYS A 45 10.618 -16.082 14.515 1.00 53.00 H new ATOM 664 N LYS A 46 8.320 -11.020 9.335 1.00 40.21 N ATOM 665 CA LYS A 46 8.736 -9.915 8.487 1.00 24.42 C ATOM 666 C LYS A 46 7.569 -9.498 7.590 1.00 21.43 C ATOM 667 O LYS A 46 7.546 -8.382 7.075 1.00 14.31 O ATOM 668 CB LYS A 46 10.005 -10.282 7.715 1.00 42.23 C ATOM 669 CG LYS A 46 10.990 -11.041 8.606 1.00 31.22 C ATOM 670 CD LYS A 46 12.436 -10.715 8.228 1.00 0.43 C ATOM 671 CE LYS A 46 12.973 -9.554 9.068 1.00 42.22 C ATOM 672 NZ LYS A 46 14.345 -9.197 8.642 1.00 61.53 N ATOM 0 H LYS A 46 8.820 -11.894 9.173 1.00 40.21 H new ATOM 0 HA LYS A 46 8.998 -9.047 9.092 1.00 24.42 H new ATOM 0 HB2 LYS A 46 9.745 -10.894 6.851 1.00 42.23 H new ATOM 0 HB3 LYS A 46 10.477 -9.377 7.334 1.00 42.23 H new ATOM 0 HG2 LYS A 46 10.816 -10.781 9.650 1.00 31.22 H new ATOM 0 HG3 LYS A 46 10.819 -12.113 8.512 1.00 31.22 H new ATOM 0 HD2 LYS A 46 13.062 -11.595 8.375 1.00 0.43 H new ATOM 0 HD3 LYS A 46 12.490 -10.459 7.170 1.00 0.43 H new ATOM 0 HE2 LYS A 46 12.317 -8.689 8.965 1.00 42.22 H new ATOM 0 HE3 LYS A 46 12.974 -9.830 10.122 1.00 42.22 H new ATOM 0 HZ1 LYS A 46 14.694 -8.408 9.222 1.00 61.53 H new ATOM 0 HZ2 LYS A 46 14.971 -10.019 8.763 1.00 61.53 H new ATOM 0 HZ3 LYS A 46 14.335 -8.913 7.641 1.00 61.53 H new ATOM 685 N ALA A 47 6.629 -10.418 7.431 1.00 30.31 N ATOM 686 CA ALA A 47 5.462 -10.160 6.605 1.00 34.13 C ATOM 687 C ALA A 47 4.437 -9.362 7.414 1.00 50.44 C ATOM 688 O ALA A 47 3.721 -8.526 6.863 1.00 23.40 O ATOM 689 CB ALA A 47 4.895 -11.486 6.093 1.00 0.12 C ATOM 0 H ALA A 47 6.652 -11.343 7.860 1.00 30.31 H new ATOM 0 HA ALA A 47 5.733 -9.563 5.734 1.00 34.13 H new ATOM 0 HB1 ALA A 47 4.019 -11.292 5.473 1.00 0.12 H new ATOM 0 HB2 ALA A 47 5.652 -12.001 5.501 1.00 0.12 H new ATOM 0 HB3 ALA A 47 4.609 -12.111 6.939 1.00 0.12 H new ATOM 695 N PHE A 48 4.399 -9.647 8.707 1.00 42.50 N ATOM 696 CA PHE A 48 3.474 -8.965 9.597 1.00 61.33 C ATOM 697 C PHE A 48 3.843 -7.488 9.745 1.00 5.02 C ATOM 698 O PHE A 48 3.007 -6.671 10.127 1.00 3.32 O ATOM 699 CB PHE A 48 3.584 -9.646 10.962 1.00 31.04 C ATOM 700 CG PHE A 48 2.897 -8.882 12.096 1.00 53.53 C ATOM 701 CD1 PHE A 48 3.577 -7.922 12.779 1.00 30.53 C ATOM 702 CD2 PHE A 48 1.606 -9.161 12.420 1.00 72.04 C ATOM 703 CE1 PHE A 48 2.939 -7.213 13.831 1.00 23.01 C ATOM 704 CE2 PHE A 48 0.968 -8.452 13.471 1.00 1.45 C ATOM 705 CZ PHE A 48 1.648 -7.493 14.155 1.00 3.50 C ATOM 0 H PHE A 48 4.994 -10.341 9.160 1.00 42.50 H new ATOM 0 HA PHE A 48 2.462 -9.020 9.195 1.00 61.33 H new ATOM 0 HB2 PHE A 48 3.150 -10.644 10.895 1.00 31.04 H new ATOM 0 HB3 PHE A 48 4.638 -9.773 11.209 1.00 31.04 H new ATOM 0 HD1 PHE A 48 4.602 -7.699 12.521 1.00 30.53 H new ATOM 0 HD2 PHE A 48 1.066 -9.923 11.877 1.00 72.04 H new ATOM 0 HE1 PHE A 48 3.479 -6.451 14.374 1.00 23.01 H new ATOM 0 HE2 PHE A 48 -0.057 -8.674 13.728 1.00 1.45 H new ATOM 0 HZ PHE A 48 1.163 -6.954 14.955 1.00 3.50 H new ATOM 715 N ALA A 49 5.097 -7.190 9.435 1.00 32.44 N ATOM 716 CA ALA A 49 5.587 -5.826 9.530 1.00 42.23 C ATOM 717 C ALA A 49 5.268 -5.083 8.231 1.00 64.14 C ATOM 718 O ALA A 49 5.536 -3.888 8.113 1.00 70.33 O ATOM 719 CB ALA A 49 7.085 -5.842 9.840 1.00 44.24 C ATOM 0 H ALA A 49 5.788 -7.870 9.118 1.00 32.44 H new ATOM 0 HA ALA A 49 5.092 -5.296 10.343 1.00 42.23 H new ATOM 0 HB1 ALA A 49 7.453 -4.818 9.911 1.00 44.24 H new ATOM 0 HB2 ALA A 49 7.255 -6.355 10.786 1.00 44.24 H new ATOM 0 HB3 ALA A 49 7.616 -6.364 9.044 1.00 44.24 H new ATOM 725 N ILE A 50 4.701 -5.822 7.288 1.00 3.41 N ATOM 726 CA ILE A 50 4.343 -5.248 6.002 1.00 42.10 C ATOM 727 C ILE A 50 2.981 -4.560 6.117 1.00 44.03 C ATOM 728 O ILE A 50 2.847 -3.383 5.786 1.00 52.11 O ATOM 729 CB ILE A 50 4.404 -6.313 4.905 1.00 51.42 C ATOM 730 CG1 ILE A 50 5.771 -7.000 4.883 1.00 53.13 C ATOM 731 CG2 ILE A 50 4.039 -5.718 3.543 1.00 22.01 C ATOM 732 CD1 ILE A 50 6.827 -6.099 4.239 1.00 31.30 C ATOM 0 H ILE A 50 4.481 -6.813 7.389 1.00 3.41 H new ATOM 0 HA ILE A 50 5.063 -4.483 5.712 1.00 42.10 H new ATOM 0 HB ILE A 50 3.663 -7.079 5.131 1.00 51.42 H new ATOM 0 HG12 ILE A 50 6.073 -7.250 5.900 1.00 53.13 H new ATOM 0 HG13 ILE A 50 5.702 -7.937 4.331 1.00 53.13 H new ATOM 0 HG21 ILE A 50 4.090 -6.496 2.781 1.00 22.01 H new ATOM 0 HG22 ILE A 50 3.027 -5.314 3.582 1.00 22.01 H new ATOM 0 HG23 ILE A 50 4.739 -4.920 3.295 1.00 22.01 H new ATOM 0 HD11 ILE A 50 7.789 -6.611 4.236 1.00 31.30 H new ATOM 0 HD12 ILE A 50 6.534 -5.871 3.214 1.00 31.30 H new ATOM 0 HD13 ILE A 50 6.911 -5.173 4.807 1.00 31.30 H new ATOM 744 N ILE A 51 2.006 -5.324 6.586 1.00 1.34 N ATOM 745 CA ILE A 51 0.660 -4.802 6.749 1.00 75.41 C ATOM 746 C ILE A 51 0.666 -3.710 7.820 1.00 41.43 C ATOM 747 O ILE A 51 0.076 -2.647 7.631 1.00 44.23 O ATOM 748 CB ILE A 51 -0.324 -5.939 7.036 1.00 40.21 C ATOM 749 CG1 ILE A 51 -0.023 -7.158 6.161 1.00 15.15 C ATOM 750 CG2 ILE A 51 -1.770 -5.464 6.881 1.00 73.54 C ATOM 751 CD1 ILE A 51 0.294 -8.384 7.020 1.00 3.42 C ATOM 0 H ILE A 51 2.121 -6.300 6.858 1.00 1.34 H new ATOM 0 HA ILE A 51 0.317 -4.339 5.824 1.00 75.41 H new ATOM 0 HB ILE A 51 -0.197 -6.248 8.073 1.00 40.21 H new ATOM 0 HG12 ILE A 51 -0.878 -7.370 5.520 1.00 15.15 H new ATOM 0 HG13 ILE A 51 0.820 -6.941 5.506 1.00 15.15 H new ATOM 0 HG21 ILE A 51 -2.449 -6.291 7.090 1.00 73.54 H new ATOM 0 HG22 ILE A 51 -1.963 -4.650 7.580 1.00 73.54 H new ATOM 0 HG23 ILE A 51 -1.930 -5.112 5.862 1.00 73.54 H new ATOM 0 HD11 ILE A 51 0.504 -9.236 6.374 1.00 3.42 H new ATOM 0 HD12 ILE A 51 1.165 -8.177 7.642 1.00 3.42 H new ATOM 0 HD13 ILE A 51 -0.561 -8.613 7.656 1.00 3.42 H new ATOM 763 N ASP A 52 1.340 -4.009 8.921 1.00 54.33 N ATOM 764 CA ASP A 52 1.431 -3.065 10.022 1.00 52.01 C ATOM 765 C ASP A 52 2.237 -1.844 9.576 1.00 45.12 C ATOM 766 O ASP A 52 3.463 -1.903 9.488 1.00 71.43 O ATOM 767 CB ASP A 52 2.143 -3.688 11.224 1.00 34.50 C ATOM 768 CG ASP A 52 1.237 -4.471 12.178 1.00 50.45 C ATOM 769 OD1 ASP A 52 0.497 -3.884 12.981 1.00 52.32 O ATOM 770 OD2 ASP A 52 1.313 -5.754 12.071 1.00 33.04 O ATOM 0 H ASP A 52 1.828 -4.891 9.074 1.00 54.33 H new ATOM 0 HA ASP A 52 0.418 -2.783 10.309 1.00 52.01 H new ATOM 0 HB2 ASP A 52 2.924 -4.355 10.859 1.00 34.50 H new ATOM 0 HB3 ASP A 52 2.638 -2.895 11.785 1.00 34.50 H new ATOM 776 N GLN A 53 1.517 -0.765 9.306 1.00 3.03 N ATOM 777 CA GLN A 53 2.151 0.468 8.872 1.00 52.34 C ATOM 778 C GLN A 53 2.338 1.416 10.058 1.00 23.33 C ATOM 779 O GLN A 53 3.038 2.408 10.023 1.00 42.53 O ATOM 780 CB GLN A 53 1.342 1.137 7.758 1.00 10.45 C ATOM 781 CG GLN A 53 1.218 0.218 6.542 1.00 62.30 C ATOM 782 CD GLN A 53 0.129 0.713 5.589 1.00 54.12 C ATOM 783 OE1 GLN A 53 0.355 1.543 4.724 1.00 51.41 O ATOM 784 NE2 GLN A 53 -1.063 0.159 5.794 1.00 1.03 N ATOM 0 H GLN A 53 0.501 -0.719 9.379 1.00 3.03 H new ATOM 0 HA GLN A 53 3.134 0.225 8.468 1.00 52.34 H new ATOM 0 HB2 GLN A 53 0.349 1.392 8.128 1.00 10.45 H new ATOM 0 HB3 GLN A 53 1.823 2.070 7.465 1.00 10.45 H new ATOM 0 HG2 GLN A 53 2.172 0.173 6.017 1.00 62.30 H new ATOM 0 HG3 GLN A 53 0.986 -0.795 6.870 1.00 62.30 H new ATOM 0 HE21 GLN A 53 -1.184 -0.530 6.536 1.00 1.03 H new ATOM 0 HE22 GLN A 53 -1.856 0.423 5.209 1.00 1.03 H new ATOM 793 N ASP A 54 1.685 1.084 11.137 1.00 34.02 N ATOM 794 CA ASP A 54 1.790 1.923 12.364 1.00 54.20 C ATOM 795 C ASP A 54 2.690 1.234 13.394 1.00 1.14 C ATOM 796 O ASP A 54 3.037 1.882 14.380 1.00 3.24 O ATOM 797 CB ASP A 54 0.358 2.035 12.891 1.00 64.32 C ATOM 798 CG ASP A 54 -0.294 0.651 12.897 1.00 3.30 C ATOM 799 OD1 ASP A 54 0.428 -0.323 12.759 1.00 33.41 O ATOM 800 OD2 ASP A 54 -1.504 0.588 13.038 1.00 71.22 O ATOM 0 H ASP A 54 1.082 0.266 11.222 1.00 34.02 H new ATOM 0 HA ASP A 54 2.226 2.901 12.162 1.00 54.20 H new ATOM 0 HB2 ASP A 54 0.362 2.451 13.898 1.00 64.32 H new ATOM 0 HB3 ASP A 54 -0.218 2.717 12.266 1.00 64.32 H new ATOM 805 N LYS A 55 3.038 -0.023 13.162 1.00 35.34 N ATOM 806 CA LYS A 55 3.885 -0.749 14.093 1.00 32.51 C ATOM 807 C LYS A 55 3.475 -0.403 15.526 1.00 61.01 C ATOM 808 O LYS A 55 4.313 -0.012 16.337 1.00 14.24 O ATOM 809 CB LYS A 55 5.361 -0.482 13.794 1.00 63.21 C ATOM 810 CG LYS A 55 5.572 -0.166 12.312 1.00 70.43 C ATOM 811 CD LYS A 55 5.275 -1.390 11.443 1.00 71.12 C ATOM 812 CE LYS A 55 6.287 -2.507 11.704 1.00 21.25 C ATOM 813 NZ LYS A 55 6.548 -3.271 10.464 1.00 32.31 N ATOM 0 H LYS A 55 2.749 -0.557 12.343 1.00 35.34 H new ATOM 0 HA LYS A 55 3.749 -1.824 13.973 1.00 32.51 H new ATOM 0 HB2 LYS A 55 5.714 0.352 14.401 1.00 63.21 H new ATOM 0 HB3 LYS A 55 5.955 -1.352 14.072 1.00 63.21 H new ATOM 0 HG2 LYS A 55 4.925 0.660 12.017 1.00 70.43 H new ATOM 0 HG3 LYS A 55 6.599 0.160 12.149 1.00 70.43 H new ATOM 0 HD2 LYS A 55 4.268 -1.751 11.650 1.00 71.12 H new ATOM 0 HD3 LYS A 55 5.302 -1.108 10.390 1.00 71.12 H new ATOM 0 HE2 LYS A 55 7.218 -2.082 12.079 1.00 21.25 H new ATOM 0 HE3 LYS A 55 5.908 -3.176 12.477 1.00 21.25 H new ATOM 0 HZ1 LYS A 55 6.602 -4.286 10.686 1.00 32.31 H new ATOM 0 HZ2 LYS A 55 5.777 -3.106 9.786 1.00 32.31 H new ATOM 0 HZ3 LYS A 55 7.448 -2.959 10.047 1.00 32.31 H new ATOM 826 N SER A 56 2.187 -0.559 15.793 1.00 31.33 N ATOM 827 CA SER A 56 1.656 -0.268 17.114 1.00 11.11 C ATOM 828 C SER A 56 1.983 -1.414 18.074 1.00 53.31 C ATOM 829 O SER A 56 2.161 -1.194 19.271 1.00 40.11 O ATOM 830 CB SER A 56 0.145 -0.035 17.061 1.00 52.40 C ATOM 831 OG SER A 56 -0.280 0.423 15.780 1.00 0.31 O ATOM 0 H SER A 56 1.495 -0.883 15.117 1.00 31.33 H new ATOM 0 HA SER A 56 2.125 0.646 17.477 1.00 11.11 H new ATOM 0 HB2 SER A 56 -0.374 -0.962 17.305 1.00 52.40 H new ATOM 0 HB3 SER A 56 -0.136 0.696 17.819 1.00 52.40 H new ATOM 0 HG SER A 56 -1.251 0.558 15.786 1.00 0.31 H new ATOM 837 N GLY A 57 2.051 -2.612 17.513 1.00 43.14 N ATOM 838 CA GLY A 57 2.354 -3.793 18.304 1.00 55.33 C ATOM 839 C GLY A 57 1.484 -4.977 17.875 1.00 3.24 C ATOM 840 O GLY A 57 2.001 -6.038 17.530 1.00 64.02 O ATOM 0 H GLY A 57 1.901 -2.791 16.520 1.00 43.14 H new ATOM 0 HA2 GLY A 57 3.407 -4.051 18.191 1.00 55.33 H new ATOM 0 HA3 GLY A 57 2.190 -3.580 19.360 1.00 55.33 H new ATOM 844 N PHE A 58 0.179 -4.755 17.912 1.00 34.22 N ATOM 845 CA PHE A 58 -0.767 -5.791 17.532 1.00 13.42 C ATOM 846 C PHE A 58 -1.740 -5.281 16.467 1.00 43.24 C ATOM 847 O PHE A 58 -2.210 -4.147 16.542 1.00 14.12 O ATOM 848 CB PHE A 58 -1.556 -6.160 18.790 1.00 3.33 C ATOM 849 CG PHE A 58 -0.752 -6.964 19.814 1.00 35.33 C ATOM 850 CD1 PHE A 58 -1.009 -8.288 19.991 1.00 21.13 C ATOM 851 CD2 PHE A 58 0.218 -6.356 20.548 1.00 52.45 C ATOM 852 CE1 PHE A 58 -0.264 -9.035 20.942 1.00 44.23 C ATOM 853 CE2 PHE A 58 0.963 -7.102 21.498 1.00 62.31 C ATOM 854 CZ PHE A 58 0.707 -8.426 21.675 1.00 73.10 C ATOM 0 H PHE A 58 -0.246 -3.873 18.199 1.00 34.22 H new ATOM 0 HA PHE A 58 -0.234 -6.648 17.120 1.00 13.42 H new ATOM 0 HB2 PHE A 58 -1.916 -5.246 19.262 1.00 3.33 H new ATOM 0 HB3 PHE A 58 -2.435 -6.736 18.500 1.00 3.33 H new ATOM 0 HD1 PHE A 58 -1.779 -8.771 19.408 1.00 21.13 H new ATOM 0 HD2 PHE A 58 0.422 -5.305 20.408 1.00 52.45 H new ATOM 0 HE1 PHE A 58 -0.468 -10.086 21.083 1.00 44.23 H new ATOM 0 HE2 PHE A 58 1.733 -6.618 22.080 1.00 62.31 H new ATOM 0 HZ PHE A 58 1.274 -8.994 22.397 1.00 73.10 H new ATOM 864 N ILE A 59 -2.012 -6.143 15.498 1.00 23.12 N ATOM 865 CA ILE A 59 -2.919 -5.794 14.419 1.00 75.34 C ATOM 866 C ILE A 59 -4.360 -5.848 14.932 1.00 42.51 C ATOM 867 O ILE A 59 -4.998 -6.899 14.894 1.00 42.53 O ATOM 868 CB ILE A 59 -2.668 -6.683 13.199 1.00 70.11 C ATOM 869 CG1 ILE A 59 -1.250 -6.486 12.660 1.00 43.12 C ATOM 870 CG2 ILE A 59 -3.729 -6.448 12.121 1.00 24.34 C ATOM 871 CD1 ILE A 59 -0.957 -7.461 11.518 1.00 25.52 C ATOM 0 H ILE A 59 -1.620 -7.083 15.438 1.00 23.12 H new ATOM 0 HA ILE A 59 -2.737 -4.773 14.084 1.00 75.34 H new ATOM 0 HB ILE A 59 -2.752 -7.724 13.512 1.00 70.11 H new ATOM 0 HG12 ILE A 59 -1.130 -5.461 12.308 1.00 43.12 H new ATOM 0 HG13 ILE A 59 -0.528 -6.634 13.463 1.00 43.12 H new ATOM 0 HG21 ILE A 59 -3.527 -7.092 11.265 1.00 24.34 H new ATOM 0 HG22 ILE A 59 -4.715 -6.679 12.524 1.00 24.34 H new ATOM 0 HG23 ILE A 59 -3.702 -5.405 11.805 1.00 24.34 H new ATOM 0 HD11 ILE A 59 0.057 -7.300 11.153 1.00 25.52 H new ATOM 0 HD12 ILE A 59 -1.054 -8.485 11.880 1.00 25.52 H new ATOM 0 HD13 ILE A 59 -1.665 -7.294 10.706 1.00 25.52 H new ATOM 883 N GLU A 60 -4.830 -4.701 15.400 1.00 10.13 N ATOM 884 CA GLU A 60 -6.183 -4.604 15.921 1.00 52.44 C ATOM 885 C GLU A 60 -7.198 -4.958 14.831 1.00 25.34 C ATOM 886 O GLU A 60 -6.873 -4.936 13.645 1.00 11.12 O ATOM 887 CB GLU A 60 -6.453 -3.209 16.488 1.00 15.22 C ATOM 888 CG GLU A 60 -5.519 -2.903 17.660 1.00 22.24 C ATOM 889 CD GLU A 60 -4.366 -1.998 17.221 1.00 70.22 C ATOM 890 OE1 GLU A 60 -4.471 -1.317 16.190 1.00 11.22 O ATOM 891 OE2 GLU A 60 -3.333 -2.018 17.993 1.00 42.40 O ATOM 0 H GLU A 60 -4.298 -3.831 15.429 1.00 10.13 H new ATOM 0 HA GLU A 60 -6.290 -5.319 16.737 1.00 52.44 H new ATOM 0 HB2 GLU A 60 -6.317 -2.462 15.706 1.00 15.22 H new ATOM 0 HB3 GLU A 60 -7.490 -3.141 16.817 1.00 15.22 H new ATOM 0 HG2 GLU A 60 -6.080 -2.421 18.460 1.00 22.24 H new ATOM 0 HG3 GLU A 60 -5.122 -3.833 18.065 1.00 22.24 H new ATOM 899 N GLU A 61 -8.405 -5.277 15.273 1.00 31.43 N ATOM 900 CA GLU A 61 -9.469 -5.636 14.351 1.00 61.32 C ATOM 901 C GLU A 61 -9.623 -4.560 13.274 1.00 33.31 C ATOM 902 O GLU A 61 -10.088 -4.843 12.171 1.00 70.30 O ATOM 903 CB GLU A 61 -10.787 -5.861 15.095 1.00 41.15 C ATOM 904 CG GLU A 61 -11.875 -6.361 14.143 1.00 73.24 C ATOM 905 CD GLU A 61 -13.196 -6.578 14.885 1.00 65.02 C ATOM 906 OE1 GLU A 61 -14.128 -7.178 14.329 1.00 23.13 O ATOM 907 OE2 GLU A 61 -13.233 -6.099 16.082 1.00 51.21 O ATOM 0 H GLU A 61 -8.670 -5.294 16.258 1.00 31.43 H new ATOM 0 HA GLU A 61 -9.201 -6.574 13.864 1.00 61.32 H new ATOM 0 HB2 GLU A 61 -10.638 -6.586 15.895 1.00 41.15 H new ATOM 0 HB3 GLU A 61 -11.108 -4.931 15.563 1.00 41.15 H new ATOM 0 HG2 GLU A 61 -12.020 -5.639 13.339 1.00 73.24 H new ATOM 0 HG3 GLU A 61 -11.557 -7.295 13.679 1.00 73.24 H new ATOM 915 N GLU A 62 -9.225 -3.349 13.632 1.00 2.42 N ATOM 916 CA GLU A 62 -9.313 -2.229 12.710 1.00 12.24 C ATOM 917 C GLU A 62 -8.231 -2.341 11.634 1.00 14.32 C ATOM 918 O GLU A 62 -8.431 -1.905 10.501 1.00 23.41 O ATOM 919 CB GLU A 62 -9.210 -0.896 13.455 1.00 71.31 C ATOM 920 CG GLU A 62 -10.330 -0.757 14.488 1.00 74.13 C ATOM 921 CD GLU A 62 -10.520 0.705 14.898 1.00 63.24 C ATOM 922 OE1 GLU A 62 -9.693 1.559 14.545 1.00 11.44 O ATOM 923 OE2 GLU A 62 -11.571 0.940 15.607 1.00 52.42 O ATOM 0 H GLU A 62 -8.841 -3.118 14.548 1.00 2.42 H new ATOM 0 HA GLU A 62 -10.287 -2.261 12.222 1.00 12.24 H new ATOM 0 HB2 GLU A 62 -8.242 -0.827 13.951 1.00 71.31 H new ATOM 0 HB3 GLU A 62 -9.263 -0.072 12.743 1.00 71.31 H new ATOM 0 HG2 GLU A 62 -11.261 -1.146 14.075 1.00 74.13 H new ATOM 0 HG3 GLU A 62 -10.095 -1.357 15.367 1.00 74.13 H new ATOM 931 N GLU A 63 -7.110 -2.926 12.026 1.00 23.45 N ATOM 932 CA GLU A 63 -5.996 -3.101 11.109 1.00 11.14 C ATOM 933 C GLU A 63 -6.134 -4.423 10.352 1.00 32.45 C ATOM 934 O GLU A 63 -5.434 -4.655 9.368 1.00 54.03 O ATOM 935 CB GLU A 63 -4.659 -3.030 11.850 1.00 34.23 C ATOM 936 CG GLU A 63 -4.318 -1.588 12.228 1.00 5.52 C ATOM 937 CD GLU A 63 -3.021 -1.526 13.038 1.00 12.55 C ATOM 938 OE1 GLU A 63 -1.995 -2.000 12.505 1.00 72.11 O ATOM 939 OE2 GLU A 63 -3.085 -1.005 14.173 1.00 14.21 O ATOM 0 H GLU A 63 -6.948 -3.285 12.967 1.00 23.45 H new ATOM 0 HA GLU A 63 -6.016 -2.287 10.385 1.00 11.14 H new ATOM 0 HB2 GLU A 63 -4.704 -3.644 12.749 1.00 34.23 H new ATOM 0 HB3 GLU A 63 -3.869 -3.442 11.222 1.00 34.23 H new ATOM 0 HG2 GLU A 63 -4.216 -0.986 11.325 1.00 5.52 H new ATOM 0 HG3 GLU A 63 -5.134 -1.157 12.808 1.00 5.52 H new ATOM 946 N LEU A 64 -7.041 -5.256 10.841 1.00 32.31 N ATOM 947 CA LEU A 64 -7.280 -6.549 10.223 1.00 21.50 C ATOM 948 C LEU A 64 -7.880 -6.342 8.831 1.00 10.41 C ATOM 949 O LEU A 64 -7.424 -6.942 7.859 1.00 53.52 O ATOM 950 CB LEU A 64 -8.135 -7.430 11.136 1.00 32.12 C ATOM 951 CG LEU A 64 -7.371 -8.394 12.046 1.00 11.02 C ATOM 952 CD1 LEU A 64 -8.314 -9.070 13.044 1.00 42.41 C ATOM 953 CD2 LEU A 64 -6.580 -9.414 11.224 1.00 12.50 C ATOM 0 H LEU A 64 -7.619 -5.060 11.658 1.00 32.31 H new ATOM 0 HA LEU A 64 -6.341 -7.086 10.089 1.00 21.50 H new ATOM 0 HB2 LEU A 64 -8.750 -6.782 11.761 1.00 32.12 H new ATOM 0 HB3 LEU A 64 -8.815 -8.011 10.514 1.00 32.12 H new ATOM 0 HG LEU A 64 -6.649 -7.817 12.625 1.00 11.02 H new ATOM 0 HD11 LEU A 64 -7.746 -9.750 13.679 1.00 42.41 H new ATOM 0 HD12 LEU A 64 -8.793 -8.311 13.663 1.00 42.41 H new ATOM 0 HD13 LEU A 64 -9.076 -9.631 12.502 1.00 42.41 H new ATOM 0 HD21 LEU A 64 -6.046 -10.087 11.895 1.00 12.50 H new ATOM 0 HD22 LEU A 64 -7.265 -9.990 10.602 1.00 12.50 H new ATOM 0 HD23 LEU A 64 -5.864 -8.893 10.588 1.00 12.50 H new ATOM 965 N LYS A 65 -8.893 -5.490 8.780 1.00 54.43 N ATOM 966 CA LYS A 65 -9.561 -5.195 7.523 1.00 64.10 C ATOM 967 C LYS A 65 -8.558 -4.567 6.553 1.00 23.11 C ATOM 968 O LYS A 65 -8.819 -4.480 5.354 1.00 31.23 O ATOM 969 CB LYS A 65 -10.803 -4.336 7.765 1.00 52.24 C ATOM 970 CG LYS A 65 -10.422 -2.972 8.345 1.00 75.12 C ATOM 971 CD LYS A 65 -11.637 -2.044 8.406 1.00 51.21 C ATOM 972 CE LYS A 65 -11.812 -1.461 9.810 1.00 61.32 C ATOM 973 NZ LYS A 65 -11.254 -0.092 9.876 1.00 25.21 N ATOM 0 H LYS A 65 -9.268 -4.994 9.589 1.00 54.43 H new ATOM 0 HA LYS A 65 -9.922 -6.113 7.059 1.00 64.10 H new ATOM 0 HB2 LYS A 65 -11.343 -4.199 6.828 1.00 52.24 H new ATOM 0 HB3 LYS A 65 -11.478 -4.850 8.449 1.00 52.24 H new ATOM 0 HG2 LYS A 65 -10.008 -3.101 9.345 1.00 75.12 H new ATOM 0 HG3 LYS A 65 -9.643 -2.517 7.733 1.00 75.12 H new ATOM 0 HD2 LYS A 65 -11.518 -1.235 7.685 1.00 51.21 H new ATOM 0 HD3 LYS A 65 -12.534 -2.594 8.123 1.00 51.21 H new ATOM 0 HE2 LYS A 65 -12.870 -1.442 10.073 1.00 61.32 H new ATOM 0 HE3 LYS A 65 -11.313 -2.099 10.540 1.00 61.32 H new ATOM 0 HZ1 LYS A 65 -11.381 0.289 10.835 1.00 25.21 H new ATOM 0 HZ2 LYS A 65 -10.240 -0.119 9.646 1.00 25.21 H new ATOM 0 HZ3 LYS A 65 -11.748 0.518 9.193 1.00 25.21 H new ATOM 986 N LEU A 66 -7.431 -4.145 7.108 1.00 61.40 N ATOM 987 CA LEU A 66 -6.388 -3.528 6.307 1.00 44.00 C ATOM 988 C LEU A 66 -5.392 -4.600 5.861 1.00 64.25 C ATOM 989 O LEU A 66 -4.220 -4.306 5.628 1.00 71.01 O ATOM 990 CB LEU A 66 -5.743 -2.369 7.069 1.00 44.51 C ATOM 991 CG LEU A 66 -6.685 -1.524 7.928 1.00 13.24 C ATOM 992 CD1 LEU A 66 -5.910 -0.466 8.716 1.00 44.15 C ATOM 993 CD2 LEU A 66 -7.796 -0.905 7.078 1.00 74.22 C ATOM 0 H LEU A 66 -7.218 -4.218 8.103 1.00 61.40 H new ATOM 0 HA LEU A 66 -6.811 -3.089 5.403 1.00 44.00 H new ATOM 0 HB2 LEU A 66 -4.962 -2.774 7.712 1.00 44.51 H new ATOM 0 HB3 LEU A 66 -5.255 -1.713 6.348 1.00 44.51 H new ATOM 0 HG LEU A 66 -7.163 -2.180 8.655 1.00 13.24 H new ATOM 0 HD11 LEU A 66 -6.604 0.120 9.318 1.00 44.15 H new ATOM 0 HD12 LEU A 66 -5.187 -0.955 9.369 1.00 44.15 H new ATOM 0 HD13 LEU A 66 -5.385 0.192 8.023 1.00 44.15 H new ATOM 0 HD21 LEU A 66 -8.451 -0.309 7.714 1.00 74.22 H new ATOM 0 HD22 LEU A 66 -7.355 -0.267 6.312 1.00 74.22 H new ATOM 0 HD23 LEU A 66 -8.374 -1.697 6.602 1.00 74.22 H new ATOM 1005 N PHE A 67 -5.894 -5.822 5.754 1.00 1.43 N ATOM 1006 CA PHE A 67 -5.063 -6.939 5.340 1.00 61.21 C ATOM 1007 C PHE A 67 -4.820 -6.912 3.829 1.00 14.44 C ATOM 1008 O PHE A 67 -4.164 -7.799 3.286 1.00 34.02 O ATOM 1009 CB PHE A 67 -5.822 -8.218 5.699 1.00 24.14 C ATOM 1010 CG PHE A 67 -5.118 -9.504 5.260 1.00 42.43 C ATOM 1011 CD1 PHE A 67 -5.593 -10.211 4.200 1.00 51.45 C ATOM 1012 CD2 PHE A 67 -4.017 -9.939 5.929 1.00 30.21 C ATOM 1013 CE1 PHE A 67 -4.940 -11.404 3.792 1.00 50.55 C ATOM 1014 CE2 PHE A 67 -3.364 -11.132 5.521 1.00 21.30 C ATOM 1015 CZ PHE A 67 -3.839 -11.839 4.461 1.00 72.31 C ATOM 0 H PHE A 67 -6.866 -6.062 5.947 1.00 1.43 H new ATOM 0 HA PHE A 67 -4.095 -6.887 5.838 1.00 61.21 H new ATOM 0 HB2 PHE A 67 -5.972 -8.248 6.778 1.00 24.14 H new ATOM 0 HB3 PHE A 67 -6.810 -8.182 5.241 1.00 24.14 H new ATOM 0 HD1 PHE A 67 -6.467 -9.865 3.668 1.00 51.45 H new ATOM 0 HD2 PHE A 67 -3.639 -9.377 6.771 1.00 30.21 H new ATOM 0 HE1 PHE A 67 -5.318 -11.966 2.950 1.00 50.55 H new ATOM 0 HE2 PHE A 67 -2.490 -11.478 6.053 1.00 21.30 H new ATOM 0 HZ PHE A 67 -3.342 -12.746 4.150 1.00 72.31 H new ATOM 1025 N LEU A 68 -5.363 -5.883 3.194 1.00 61.51 N ATOM 1026 CA LEU A 68 -5.214 -5.729 1.757 1.00 42.32 C ATOM 1027 C LEU A 68 -4.461 -4.429 1.464 1.00 72.34 C ATOM 1028 O LEU A 68 -4.095 -4.164 0.319 1.00 35.25 O ATOM 1029 CB LEU A 68 -6.575 -5.821 1.064 1.00 42.11 C ATOM 1030 CG LEU A 68 -7.401 -7.071 1.372 1.00 30.31 C ATOM 1031 CD1 LEU A 68 -8.644 -7.140 0.483 1.00 14.44 C ATOM 1032 CD2 LEU A 68 -6.546 -8.335 1.260 1.00 61.04 C ATOM 0 H LEU A 68 -5.906 -5.149 3.648 1.00 61.51 H new ATOM 0 HA LEU A 68 -4.618 -6.544 1.346 1.00 42.32 H new ATOM 0 HB2 LEU A 68 -7.161 -4.945 1.341 1.00 42.11 H new ATOM 0 HB3 LEU A 68 -6.416 -5.771 -0.013 1.00 42.11 H new ATOM 0 HG LEU A 68 -7.746 -7.006 2.404 1.00 30.31 H new ATOM 0 HD11 LEU A 68 -9.213 -8.038 0.723 1.00 14.44 H new ATOM 0 HD12 LEU A 68 -9.264 -6.260 0.656 1.00 14.44 H new ATOM 0 HD13 LEU A 68 -8.341 -7.171 -0.564 1.00 14.44 H new ATOM 0 HD21 LEU A 68 -7.158 -9.209 1.484 1.00 61.04 H new ATOM 0 HD22 LEU A 68 -6.151 -8.418 0.248 1.00 61.04 H new ATOM 0 HD23 LEU A 68 -5.720 -8.279 1.969 1.00 61.04 H new ATOM 1044 N GLN A 69 -4.252 -3.653 2.517 1.00 72.30 N ATOM 1045 CA GLN A 69 -3.550 -2.388 2.387 1.00 62.01 C ATOM 1046 C GLN A 69 -2.044 -2.597 2.558 1.00 42.11 C ATOM 1047 O GLN A 69 -1.272 -1.640 2.513 1.00 22.34 O ATOM 1048 CB GLN A 69 -4.078 -1.362 3.391 1.00 54.32 C ATOM 1049 CG GLN A 69 -5.452 -0.837 2.967 1.00 45.33 C ATOM 1050 CD GLN A 69 -5.947 0.243 3.931 1.00 53.02 C ATOM 1051 OE1 GLN A 69 -5.250 0.672 4.835 1.00 44.21 O ATOM 1052 NE2 GLN A 69 -7.188 0.657 3.688 1.00 21.42 N ATOM 0 H GLN A 69 -4.557 -3.876 3.464 1.00 72.30 H new ATOM 0 HA GLN A 69 -3.732 -1.995 1.387 1.00 62.01 H new ATOM 0 HB2 GLN A 69 -4.148 -1.817 4.379 1.00 54.32 H new ATOM 0 HB3 GLN A 69 -3.376 -0.532 3.471 1.00 54.32 H new ATOM 0 HG2 GLN A 69 -5.394 -0.430 1.958 1.00 45.33 H new ATOM 0 HG3 GLN A 69 -6.167 -1.659 2.938 1.00 45.33 H new ATOM 0 HE21 GLN A 69 -7.717 0.256 2.914 1.00 21.42 H new ATOM 0 HE22 GLN A 69 -7.610 1.376 4.276 1.00 21.42 H new ATOM 1061 N ASN A 70 -1.671 -3.854 2.750 1.00 40.31 N ATOM 1062 CA ASN A 70 -0.271 -4.200 2.928 1.00 71.33 C ATOM 1063 C ASN A 70 0.386 -4.371 1.557 1.00 73.25 C ATOM 1064 O ASN A 70 1.481 -3.864 1.321 1.00 2.44 O ATOM 1065 CB ASN A 70 -0.123 -5.518 3.691 1.00 63.14 C ATOM 1066 CG ASN A 70 -0.559 -6.704 2.827 1.00 10.43 C ATOM 1067 OD1 ASN A 70 0.235 -7.342 2.157 1.00 24.40 O ATOM 1068 ND2 ASN A 70 -1.863 -6.961 2.881 1.00 42.33 N ATOM 0 H ASN A 70 -2.314 -4.645 2.786 1.00 40.31 H new ATOM 0 HA ASN A 70 0.205 -3.400 3.494 1.00 71.33 H new ATOM 0 HB2 ASN A 70 0.914 -5.650 3.999 1.00 63.14 H new ATOM 0 HB3 ASN A 70 -0.724 -5.485 4.600 1.00 63.14 H new ATOM 0 HD21 ASN A 70 -2.254 -7.733 2.340 1.00 42.33 H new ATOM 0 HD22 ASN A 70 -2.472 -6.386 3.463 1.00 42.33 H new ATOM 1075 N PHE A 71 -0.311 -5.088 0.687 1.00 14.21 N ATOM 1076 CA PHE A 71 0.190 -5.332 -0.655 1.00 3.15 C ATOM 1077 C PHE A 71 -0.091 -4.139 -1.571 1.00 32.33 C ATOM 1078 O PHE A 71 0.167 -4.200 -2.772 1.00 31.12 O ATOM 1079 CB PHE A 71 -0.549 -6.559 -1.192 1.00 52.42 C ATOM 1080 CG PHE A 71 -0.419 -7.801 -0.308 1.00 15.51 C ATOM 1081 CD1 PHE A 71 0.801 -8.366 -0.104 1.00 53.22 C ATOM 1082 CD2 PHE A 71 -1.524 -8.339 0.274 1.00 32.13 C ATOM 1083 CE1 PHE A 71 0.921 -9.518 0.716 1.00 20.34 C ATOM 1084 CE2 PHE A 71 -1.404 -9.492 1.095 1.00 42.30 C ATOM 1085 CZ PHE A 71 -0.184 -10.057 1.299 1.00 63.03 C ATOM 0 H PHE A 71 -1.219 -5.508 0.886 1.00 14.21 H new ATOM 0 HA PHE A 71 1.269 -5.487 -0.627 1.00 3.15 H new ATOM 0 HB2 PHE A 71 -1.605 -6.314 -1.303 1.00 52.42 H new ATOM 0 HB3 PHE A 71 -0.169 -6.792 -2.187 1.00 52.42 H new ATOM 0 HD1 PHE A 71 1.678 -7.938 -0.566 1.00 53.22 H new ATOM 0 HD2 PHE A 71 -2.493 -7.890 0.112 1.00 32.13 H new ATOM 0 HE1 PHE A 71 1.890 -9.967 0.877 1.00 20.34 H new ATOM 0 HE2 PHE A 71 -2.281 -9.920 1.557 1.00 42.30 H new ATOM 0 HZ PHE A 71 -0.092 -10.933 1.924 1.00 63.03 H new ATOM 1095 N LYS A 72 -0.617 -3.083 -0.969 1.00 2.43 N ATOM 1096 CA LYS A 72 -0.936 -1.878 -1.715 1.00 51.44 C ATOM 1097 C LYS A 72 -1.537 -0.839 -0.766 1.00 75.14 C ATOM 1098 O LYS A 72 -2.050 -1.187 0.296 1.00 23.14 O ATOM 1099 CB LYS A 72 -1.831 -2.210 -2.911 1.00 14.31 C ATOM 1100 CG LYS A 72 -1.391 -1.439 -4.157 1.00 4.42 C ATOM 1101 CD LYS A 72 -2.581 -1.152 -5.074 1.00 72.52 C ATOM 1102 CE LYS A 72 -2.811 -2.308 -6.050 1.00 52.13 C ATOM 1103 NZ LYS A 72 -4.071 -2.109 -6.801 1.00 33.32 N ATOM 0 H LYS A 72 -0.830 -3.037 0.027 1.00 2.43 H new ATOM 0 HA LYS A 72 -0.031 -1.439 -2.135 1.00 51.44 H new ATOM 0 HB2 LYS A 72 -1.795 -3.281 -3.110 1.00 14.31 H new ATOM 0 HB3 LYS A 72 -2.866 -1.965 -2.674 1.00 14.31 H new ATOM 0 HG2 LYS A 72 -0.921 -0.501 -3.861 1.00 4.42 H new ATOM 0 HG3 LYS A 72 -0.641 -2.015 -4.699 1.00 4.42 H new ATOM 0 HD2 LYS A 72 -3.477 -0.994 -4.474 1.00 72.52 H new ATOM 0 HD3 LYS A 72 -2.403 -0.232 -5.630 1.00 72.52 H new ATOM 0 HE2 LYS A 72 -1.974 -2.377 -6.745 1.00 52.13 H new ATOM 0 HE3 LYS A 72 -2.851 -3.250 -5.504 1.00 52.13 H new ATOM 0 HZ1 LYS A 72 -4.212 -2.902 -7.459 1.00 33.32 H new ATOM 0 HZ2 LYS A 72 -4.869 -2.065 -6.135 1.00 33.32 H new ATOM 0 HZ3 LYS A 72 -4.019 -1.220 -7.337 1.00 33.32 H new ATOM 1116 N ALA A 73 -1.455 0.415 -1.184 1.00 53.45 N ATOM 1117 CA ALA A 73 -1.985 1.507 -0.385 1.00 30.00 C ATOM 1118 C ALA A 73 -3.260 2.042 -1.041 1.00 24.01 C ATOM 1119 O ALA A 73 -3.621 3.202 -0.848 1.00 74.33 O ATOM 1120 CB ALA A 73 -0.914 2.588 -0.223 1.00 55.05 C ATOM 0 H ALA A 73 -1.029 0.700 -2.066 1.00 53.45 H new ATOM 0 HA ALA A 73 -2.250 1.159 0.613 1.00 30.00 H new ATOM 0 HB1 ALA A 73 -1.312 3.407 0.376 1.00 55.05 H new ATOM 0 HB2 ALA A 73 -0.042 2.164 0.275 1.00 55.05 H new ATOM 0 HB3 ALA A 73 -0.625 2.964 -1.205 1.00 55.05 H new ATOM 1126 N GLY A 74 -3.905 1.171 -1.802 1.00 53.14 N ATOM 1127 CA GLY A 74 -5.132 1.541 -2.488 1.00 2.41 C ATOM 1128 C GLY A 74 -6.133 0.384 -2.484 1.00 41.32 C ATOM 1129 O GLY A 74 -7.117 0.407 -3.222 1.00 44.43 O ATOM 0 H GLY A 74 -3.602 0.210 -1.959 1.00 53.14 H new ATOM 0 HA2 GLY A 74 -5.575 2.411 -2.004 1.00 2.41 H new ATOM 0 HA3 GLY A 74 -4.906 1.828 -3.515 1.00 2.41 H new ATOM 1133 N ALA A 75 -5.848 -0.600 -1.645 1.00 24.23 N ATOM 1134 CA ALA A 75 -6.711 -1.764 -1.535 1.00 64.01 C ATOM 1135 C ALA A 75 -7.809 -1.484 -0.508 1.00 13.12 C ATOM 1136 O ALA A 75 -7.561 -0.846 0.514 1.00 43.52 O ATOM 1137 CB ALA A 75 -5.871 -2.990 -1.171 1.00 61.11 C ATOM 0 H ALA A 75 -5.031 -0.616 -1.034 1.00 24.23 H new ATOM 0 HA ALA A 75 -7.197 -1.973 -2.488 1.00 64.01 H new ATOM 0 HB1 ALA A 75 -6.518 -3.863 -1.088 1.00 61.11 H new ATOM 0 HB2 ALA A 75 -5.125 -3.163 -1.947 1.00 61.11 H new ATOM 0 HB3 ALA A 75 -5.370 -2.818 -0.218 1.00 61.11 H new ATOM 1143 N ARG A 76 -9.001 -1.975 -0.814 1.00 60.24 N ATOM 1144 CA ARG A 76 -10.139 -1.786 0.070 1.00 44.25 C ATOM 1145 C ARG A 76 -9.864 -2.425 1.432 1.00 33.12 C ATOM 1146 O ARG A 76 -8.757 -2.896 1.689 1.00 34.23 O ATOM 1147 CB ARG A 76 -11.408 -2.398 -0.527 1.00 45.21 C ATOM 1148 CG ARG A 76 -11.280 -3.918 -0.644 1.00 73.02 C ATOM 1149 CD ARG A 76 -12.654 -4.589 -0.591 1.00 14.13 C ATOM 1150 NE ARG A 76 -12.505 -6.057 -0.699 1.00 72.33 N ATOM 1151 CZ ARG A 76 -13.432 -6.945 -0.280 1.00 24.31 C ATOM 1152 NH1 ARG A 76 -13.194 -8.235 -0.426 1.00 22.50 N ATOM 1153 NH2 ARG A 76 -14.584 -6.520 0.281 1.00 62.23 N ATOM 0 H ARG A 76 -9.204 -2.504 -1.662 1.00 60.24 H new ATOM 0 HA ARG A 76 -10.290 -0.713 0.192 1.00 44.25 H new ATOM 0 HB2 ARG A 76 -12.265 -2.149 0.098 1.00 45.21 H new ATOM 0 HB3 ARG A 76 -11.595 -1.968 -1.511 1.00 45.21 H new ATOM 0 HG2 ARG A 76 -10.782 -4.174 -1.579 1.00 73.02 H new ATOM 0 HG3 ARG A 76 -10.655 -4.297 0.164 1.00 73.02 H new ATOM 0 HD2 ARG A 76 -13.157 -4.334 0.342 1.00 14.13 H new ATOM 0 HD3 ARG A 76 -13.280 -4.218 -1.402 1.00 14.13 H new ATOM 0 HE ARG A 76 -11.648 -6.421 -1.116 1.00 72.33 H new ATOM 0 HH11 ARG A 76 -12.321 -8.548 -0.850 1.00 22.50 H new ATOM 0 HH12 ARG A 76 -13.884 -8.919 -0.115 1.00 22.50 H new ATOM 0 HH21 ARG A 76 -14.760 -5.521 0.391 1.00 62.23 H new ATOM 0 HH22 ARG A 76 -15.279 -7.198 0.595 1.00 62.23 H new ATOM 1166 N ALA A 77 -10.891 -2.421 2.270 1.00 60.15 N ATOM 1167 CA ALA A 77 -10.774 -2.995 3.599 1.00 15.24 C ATOM 1168 C ALA A 77 -11.919 -3.984 3.825 1.00 35.24 C ATOM 1169 O ALA A 77 -13.087 -3.638 3.650 1.00 21.54 O ATOM 1170 CB ALA A 77 -10.759 -1.873 4.640 1.00 70.31 C ATOM 0 H ALA A 77 -11.808 -2.029 2.054 1.00 60.15 H new ATOM 0 HA ALA A 77 -9.838 -3.545 3.699 1.00 15.24 H new ATOM 0 HB1 ALA A 77 -10.671 -2.303 5.638 1.00 70.31 H new ATOM 0 HB2 ALA A 77 -9.911 -1.214 4.453 1.00 70.31 H new ATOM 0 HB3 ALA A 77 -11.684 -1.301 4.572 1.00 70.31 H new ATOM 1176 N LEU A 78 -11.545 -5.195 4.211 1.00 72.21 N ATOM 1177 CA LEU A 78 -12.526 -6.237 4.463 1.00 73.03 C ATOM 1178 C LEU A 78 -13.654 -5.671 5.327 1.00 14.14 C ATOM 1179 O LEU A 78 -13.418 -4.821 6.184 1.00 2.51 O ATOM 1180 CB LEU A 78 -11.853 -7.473 5.062 1.00 31.32 C ATOM 1181 CG LEU A 78 -10.805 -8.159 4.183 1.00 2.34 C ATOM 1182 CD1 LEU A 78 -11.232 -8.153 2.714 1.00 11.34 C ATOM 1183 CD2 LEU A 78 -9.425 -7.527 4.382 1.00 74.04 C ATOM 0 H LEU A 78 -10.576 -5.478 4.355 1.00 72.21 H new ATOM 0 HA LEU A 78 -12.977 -6.570 3.528 1.00 73.03 H new ATOM 0 HB2 LEU A 78 -11.379 -7.185 6.000 1.00 31.32 H new ATOM 0 HB3 LEU A 78 -12.627 -8.201 5.306 1.00 31.32 H new ATOM 0 HG LEU A 78 -10.730 -9.202 4.491 1.00 2.34 H new ATOM 0 HD11 LEU A 78 -10.469 -8.647 2.111 1.00 11.34 H new ATOM 0 HD12 LEU A 78 -12.178 -8.684 2.608 1.00 11.34 H new ATOM 0 HD13 LEU A 78 -11.353 -7.124 2.374 1.00 11.34 H new ATOM 0 HD21 LEU A 78 -8.698 -8.033 3.746 1.00 74.04 H new ATOM 0 HD22 LEU A 78 -9.467 -6.471 4.116 1.00 74.04 H new ATOM 0 HD23 LEU A 78 -9.126 -7.627 5.425 1.00 74.04 H new ATOM 1195 N SER A 79 -14.857 -6.166 5.073 1.00 1.41 N ATOM 1196 CA SER A 79 -16.022 -5.720 5.818 1.00 54.34 C ATOM 1197 C SER A 79 -15.899 -6.140 7.284 1.00 71.14 C ATOM 1198 O SER A 79 -15.286 -7.161 7.591 1.00 73.42 O ATOM 1199 CB SER A 79 -17.311 -6.280 5.211 1.00 4.33 C ATOM 1200 OG SER A 79 -18.472 -5.754 5.847 1.00 15.20 O ATOM 0 H SER A 79 -15.050 -6.871 4.362 1.00 1.41 H new ATOM 0 HA SER A 79 -16.068 -4.632 5.762 1.00 54.34 H new ATOM 0 HB2 SER A 79 -17.343 -6.045 4.147 1.00 4.33 H new ATOM 0 HB3 SER A 79 -17.311 -7.367 5.298 1.00 4.33 H new ATOM 0 HG SER A 79 -19.274 -6.134 5.431 1.00 15.20 H new ATOM 1206 N ASP A 80 -16.491 -5.331 8.150 1.00 75.23 N ATOM 1207 CA ASP A 80 -16.456 -5.606 9.576 1.00 62.40 C ATOM 1208 C ASP A 80 -16.651 -7.106 9.807 1.00 74.34 C ATOM 1209 O ASP A 80 -16.145 -7.659 10.782 1.00 74.21 O ATOM 1210 CB ASP A 80 -17.576 -4.865 10.308 1.00 33.41 C ATOM 1211 CG ASP A 80 -17.213 -4.363 11.707 1.00 51.12 C ATOM 1212 OD1 ASP A 80 -17.850 -4.734 12.704 1.00 24.21 O ATOM 1213 OD2 ASP A 80 -16.217 -3.545 11.750 1.00 3.34 O ATOM 0 H ASP A 80 -16.998 -4.485 7.891 1.00 75.23 H new ATOM 0 HA ASP A 80 -15.492 -5.272 9.960 1.00 62.40 H new ATOM 0 HB2 ASP A 80 -17.885 -4.013 9.702 1.00 33.41 H new ATOM 0 HB3 ASP A 80 -18.438 -5.528 10.388 1.00 33.41 H new ATOM 1219 N ALA A 81 -17.387 -7.722 8.893 1.00 61.13 N ATOM 1220 CA ALA A 81 -17.656 -9.147 8.984 1.00 24.12 C ATOM 1221 C ALA A 81 -16.461 -9.924 8.427 1.00 2.24 C ATOM 1222 O ALA A 81 -15.887 -10.765 9.117 1.00 5.33 O ATOM 1223 CB ALA A 81 -18.956 -9.470 8.246 1.00 52.12 C ATOM 0 H ALA A 81 -17.805 -7.260 8.086 1.00 61.13 H new ATOM 0 HA ALA A 81 -17.789 -9.446 10.024 1.00 24.12 H new ATOM 0 HB1 ALA A 81 -19.157 -10.539 8.315 1.00 52.12 H new ATOM 0 HB2 ALA A 81 -19.779 -8.916 8.698 1.00 52.12 H new ATOM 0 HB3 ALA A 81 -18.860 -9.185 7.198 1.00 52.12 H new ATOM 1229 N GLU A 82 -16.122 -9.614 7.184 1.00 21.45 N ATOM 1230 CA GLU A 82 -15.006 -10.273 6.527 1.00 1.01 C ATOM 1231 C GLU A 82 -13.776 -10.270 7.438 1.00 54.42 C ATOM 1232 O GLU A 82 -12.912 -11.137 7.322 1.00 3.33 O ATOM 1233 CB GLU A 82 -14.694 -9.612 5.183 1.00 71.42 C ATOM 1234 CG GLU A 82 -15.781 -9.925 4.153 1.00 75.42 C ATOM 1235 CD GLU A 82 -15.983 -8.750 3.194 1.00 13.03 C ATOM 1236 OE1 GLU A 82 -17.084 -8.182 3.133 1.00 2.21 O ATOM 1237 OE2 GLU A 82 -14.946 -8.430 2.497 1.00 22.54 O ATOM 0 H GLU A 82 -16.600 -8.916 6.615 1.00 21.45 H new ATOM 0 HA GLU A 82 -15.285 -11.308 6.330 1.00 1.01 H new ATOM 0 HB2 GLU A 82 -14.612 -8.533 5.315 1.00 71.42 H new ATOM 0 HB3 GLU A 82 -13.729 -9.962 4.817 1.00 71.42 H new ATOM 0 HG2 GLU A 82 -15.506 -10.816 3.589 1.00 75.42 H new ATOM 0 HG3 GLU A 82 -16.718 -10.147 4.664 1.00 75.42 H new ATOM 1245 N THR A 83 -13.738 -9.285 8.323 1.00 42.51 N ATOM 1246 CA THR A 83 -12.629 -9.157 9.253 1.00 44.12 C ATOM 1247 C THR A 83 -12.889 -9.988 10.511 1.00 52.22 C ATOM 1248 O THR A 83 -11.952 -10.456 11.155 1.00 3.11 O ATOM 1249 CB THR A 83 -12.421 -7.669 9.540 1.00 51.41 C ATOM 1250 OG1 THR A 83 -11.818 -7.166 8.351 1.00 61.44 O ATOM 1251 CG2 THR A 83 -11.370 -7.422 10.624 1.00 64.23 C ATOM 0 H THR A 83 -14.457 -8.568 8.416 1.00 42.51 H new ATOM 0 HA THR A 83 -11.707 -9.552 8.825 1.00 44.12 H new ATOM 0 HB THR A 83 -13.368 -7.223 9.845 1.00 51.41 H new ATOM 0 HG1 THR A 83 -12.498 -6.724 7.801 1.00 61.44 H new ATOM 0 HG21 THR A 83 -11.262 -6.350 10.788 1.00 64.23 H new ATOM 0 HG22 THR A 83 -11.684 -7.901 11.551 1.00 64.23 H new ATOM 0 HG23 THR A 83 -10.414 -7.839 10.306 1.00 64.23 H new ATOM 1259 N LYS A 84 -14.167 -10.146 10.823 1.00 51.23 N ATOM 1260 CA LYS A 84 -14.563 -10.912 11.992 1.00 21.11 C ATOM 1261 C LYS A 84 -14.004 -12.332 11.879 1.00 5.34 C ATOM 1262 O LYS A 84 -13.394 -12.839 12.820 1.00 72.12 O ATOM 1263 CB LYS A 84 -16.081 -10.862 12.177 1.00 61.11 C ATOM 1264 CG LYS A 84 -16.479 -9.748 13.147 1.00 43.42 C ATOM 1265 CD LYS A 84 -18.000 -9.644 13.269 1.00 53.05 C ATOM 1266 CE LYS A 84 -18.397 -8.609 14.324 1.00 63.43 C ATOM 1267 NZ LYS A 84 -18.465 -7.258 13.724 1.00 15.02 N ATOM 0 H LYS A 84 -14.942 -9.756 10.286 1.00 51.23 H new ATOM 0 HA LYS A 84 -14.140 -10.473 12.896 1.00 21.11 H new ATOM 0 HB2 LYS A 84 -16.563 -10.699 11.213 1.00 61.11 H new ATOM 0 HB3 LYS A 84 -16.437 -11.821 12.553 1.00 61.11 H new ATOM 0 HG2 LYS A 84 -16.045 -9.943 14.128 1.00 43.42 H new ATOM 0 HG3 LYS A 84 -16.073 -8.798 12.801 1.00 43.42 H new ATOM 0 HD2 LYS A 84 -18.428 -9.368 12.305 1.00 53.05 H new ATOM 0 HD3 LYS A 84 -18.414 -10.617 13.535 1.00 53.05 H new ATOM 0 HE2 LYS A 84 -19.364 -8.872 14.754 1.00 63.43 H new ATOM 0 HE3 LYS A 84 -17.673 -8.616 15.139 1.00 63.43 H new ATOM 0 HZ1 LYS A 84 -19.015 -6.630 14.344 1.00 15.02 H new ATOM 0 HZ2 LYS A 84 -17.503 -6.879 13.613 1.00 15.02 H new ATOM 0 HZ3 LYS A 84 -18.924 -7.314 12.793 1.00 15.02 H new ATOM 1280 N ALA A 85 -14.231 -12.933 10.721 1.00 44.33 N ATOM 1281 CA ALA A 85 -13.757 -14.284 10.473 1.00 40.11 C ATOM 1282 C ALA A 85 -12.232 -14.270 10.350 1.00 70.45 C ATOM 1283 O ALA A 85 -11.589 -15.316 10.436 1.00 54.31 O ATOM 1284 CB ALA A 85 -14.438 -14.842 9.222 1.00 33.51 C ATOM 0 H ALA A 85 -14.737 -12.509 9.943 1.00 44.33 H new ATOM 0 HA ALA A 85 -14.015 -14.940 11.304 1.00 40.11 H new ATOM 0 HB1 ALA A 85 -14.083 -15.855 9.036 1.00 33.51 H new ATOM 0 HB2 ALA A 85 -15.518 -14.858 9.372 1.00 33.51 H new ATOM 0 HB3 ALA A 85 -14.200 -14.211 8.366 1.00 33.51 H new ATOM 1290 N PHE A 86 -11.697 -13.075 10.149 1.00 0.04 N ATOM 1291 CA PHE A 86 -10.260 -12.912 10.013 1.00 4.33 C ATOM 1292 C PHE A 86 -9.590 -12.788 11.383 1.00 4.52 C ATOM 1293 O PHE A 86 -8.386 -13.007 11.512 1.00 51.22 O ATOM 1294 CB PHE A 86 -10.029 -11.620 9.227 1.00 43.31 C ATOM 1295 CG PHE A 86 -8.796 -11.655 8.321 1.00 53.51 C ATOM 1296 CD1 PHE A 86 -7.830 -12.589 8.523 1.00 25.55 C ATOM 1297 CD2 PHE A 86 -8.667 -10.751 7.313 1.00 14.51 C ATOM 1298 CE1 PHE A 86 -6.686 -12.622 7.683 1.00 43.33 C ATOM 1299 CE2 PHE A 86 -7.524 -10.783 6.472 1.00 5.33 C ATOM 1300 CZ PHE A 86 -6.557 -11.718 6.675 1.00 42.31 C ATOM 0 H PHE A 86 -12.233 -12.210 10.077 1.00 0.04 H new ATOM 0 HA PHE A 86 -9.834 -13.778 9.507 1.00 4.33 H new ATOM 0 HB2 PHE A 86 -10.909 -11.415 8.618 1.00 43.31 H new ATOM 0 HB3 PHE A 86 -9.928 -10.793 9.929 1.00 43.31 H new ATOM 0 HD1 PHE A 86 -7.933 -13.307 9.323 1.00 25.55 H new ATOM 0 HD2 PHE A 86 -9.435 -10.008 7.152 1.00 14.51 H new ATOM 0 HE1 PHE A 86 -5.919 -13.365 7.844 1.00 43.33 H new ATOM 0 HE2 PHE A 86 -7.422 -10.065 5.671 1.00 5.33 H new ATOM 0 HZ PHE A 86 -5.687 -11.742 6.036 1.00 42.31 H new ATOM 1310 N LEU A 87 -10.398 -12.436 12.372 1.00 32.22 N ATOM 1311 CA LEU A 87 -9.899 -12.280 13.728 1.00 62.22 C ATOM 1312 C LEU A 87 -9.862 -13.647 14.414 1.00 60.44 C ATOM 1313 O LEU A 87 -8.789 -14.154 14.738 1.00 33.32 O ATOM 1314 CB LEU A 87 -10.720 -11.235 14.484 1.00 13.54 C ATOM 1315 CG LEU A 87 -10.276 -10.942 15.919 1.00 21.10 C ATOM 1316 CD1 LEU A 87 -8.875 -10.327 15.944 1.00 14.25 C ATOM 1317 CD2 LEU A 87 -11.300 -10.066 16.642 1.00 13.35 C ATOM 0 H LEU A 87 -11.396 -12.254 12.261 1.00 32.22 H new ATOM 0 HA LEU A 87 -8.877 -11.901 13.716 1.00 62.22 H new ATOM 0 HB2 LEU A 87 -10.693 -10.303 13.919 1.00 13.54 H new ATOM 0 HB3 LEU A 87 -11.759 -11.565 14.506 1.00 13.54 H new ATOM 0 HG LEU A 87 -10.223 -11.887 16.460 1.00 21.10 H new ATOM 0 HD11 LEU A 87 -8.583 -10.128 16.975 1.00 14.25 H new ATOM 0 HD12 LEU A 87 -8.165 -11.020 15.493 1.00 14.25 H new ATOM 0 HD13 LEU A 87 -8.877 -9.393 15.381 1.00 14.25 H new ATOM 0 HD21 LEU A 87 -10.960 -9.873 17.659 1.00 13.35 H new ATOM 0 HD22 LEU A 87 -11.410 -9.121 16.111 1.00 13.35 H new ATOM 0 HD23 LEU A 87 -12.261 -10.579 16.672 1.00 13.35 H new ATOM 1329 N LYS A 88 -11.047 -14.205 14.614 1.00 62.43 N ATOM 1330 CA LYS A 88 -11.164 -15.504 15.255 1.00 23.11 C ATOM 1331 C LYS A 88 -10.364 -16.536 14.457 1.00 5.25 C ATOM 1332 O LYS A 88 -10.027 -17.600 14.974 1.00 33.21 O ATOM 1333 CB LYS A 88 -12.635 -15.878 15.443 1.00 73.53 C ATOM 1334 CG LYS A 88 -13.153 -15.405 16.802 1.00 5.35 C ATOM 1335 CD LYS A 88 -14.667 -15.595 16.910 1.00 41.55 C ATOM 1336 CE LYS A 88 -15.179 -15.153 18.282 1.00 52.11 C ATOM 1337 NZ LYS A 88 -15.324 -13.681 18.332 1.00 42.20 N ATOM 0 H LYS A 88 -11.935 -13.781 14.343 1.00 62.43 H new ATOM 0 HA LYS A 88 -10.736 -15.474 16.257 1.00 23.11 H new ATOM 0 HB2 LYS A 88 -13.232 -15.432 14.647 1.00 73.53 H new ATOM 0 HB3 LYS A 88 -12.752 -16.959 15.362 1.00 73.53 H new ATOM 0 HG2 LYS A 88 -12.656 -15.960 17.598 1.00 5.35 H new ATOM 0 HG3 LYS A 88 -12.904 -14.353 16.944 1.00 5.35 H new ATOM 0 HD2 LYS A 88 -15.166 -15.020 16.129 1.00 41.55 H new ATOM 0 HD3 LYS A 88 -14.918 -16.643 16.744 1.00 41.55 H new ATOM 0 HE2 LYS A 88 -16.139 -15.626 18.488 1.00 52.11 H new ATOM 0 HE3 LYS A 88 -14.488 -15.483 19.058 1.00 52.11 H new ATOM 0 HZ1 LYS A 88 -15.672 -13.398 19.270 1.00 42.20 H new ATOM 0 HZ2 LYS A 88 -14.401 -13.235 18.157 1.00 42.20 H new ATOM 0 HZ3 LYS A 88 -16.001 -13.374 17.604 1.00 42.20 H new ATOM 1350 N ALA A 89 -10.082 -16.184 13.212 1.00 63.35 N ATOM 1351 CA ALA A 89 -9.327 -17.067 12.337 1.00 13.55 C ATOM 1352 C ALA A 89 -7.919 -17.257 12.904 1.00 1.52 C ATOM 1353 O ALA A 89 -7.554 -18.358 13.313 1.00 44.23 O ATOM 1354 CB ALA A 89 -9.313 -16.491 10.920 1.00 4.30 C ATOM 0 H ALA A 89 -10.362 -15.300 12.787 1.00 63.35 H new ATOM 0 HA ALA A 89 -9.796 -18.049 12.285 1.00 13.55 H new ATOM 0 HB1 ALA A 89 -8.747 -17.152 10.264 1.00 4.30 H new ATOM 0 HB2 ALA A 89 -10.336 -16.403 10.553 1.00 4.30 H new ATOM 0 HB3 ALA A 89 -8.846 -15.506 10.932 1.00 4.30 H new ATOM 1360 N GLY A 90 -7.166 -16.166 12.911 1.00 71.22 N ATOM 1361 CA GLY A 90 -5.806 -16.199 13.421 1.00 41.03 C ATOM 1362 C GLY A 90 -5.781 -15.958 14.932 1.00 63.35 C ATOM 1363 O GLY A 90 -5.144 -16.706 15.672 1.00 2.22 O ATOM 0 H GLY A 90 -7.472 -15.254 12.572 1.00 71.22 H new ATOM 0 HA2 GLY A 90 -5.353 -17.164 13.196 1.00 41.03 H new ATOM 0 HA3 GLY A 90 -5.207 -15.440 12.918 1.00 41.03 H new ATOM 1367 N ASP A 91 -6.481 -14.912 15.344 1.00 74.14 N ATOM 1368 CA ASP A 91 -6.547 -14.564 16.753 1.00 54.43 C ATOM 1369 C ASP A 91 -7.158 -15.729 17.534 1.00 41.12 C ATOM 1370 O ASP A 91 -8.360 -15.744 17.796 1.00 43.45 O ATOM 1371 CB ASP A 91 -7.428 -13.333 16.975 1.00 52.41 C ATOM 1372 CG ASP A 91 -7.164 -12.575 18.278 1.00 75.41 C ATOM 1373 OD1 ASP A 91 -6.093 -12.708 18.888 1.00 51.21 O ATOM 1374 OD2 ASP A 91 -8.128 -11.812 18.670 1.00 70.24 O ATOM 0 H ASP A 91 -7.008 -14.294 14.727 1.00 74.14 H new ATOM 0 HA ASP A 91 -5.534 -14.350 17.095 1.00 54.43 H new ATOM 0 HB2 ASP A 91 -7.287 -12.648 16.139 1.00 52.41 H new ATOM 0 HB3 ASP A 91 -8.472 -13.645 16.959 1.00 52.41 H new ATOM 1380 N SER A 92 -6.302 -16.678 17.884 1.00 1.42 N ATOM 1381 CA SER A 92 -6.742 -17.844 18.630 1.00 21.31 C ATOM 1382 C SER A 92 -7.053 -17.454 20.076 1.00 21.15 C ATOM 1383 O SER A 92 -8.117 -17.677 20.620 1.00 25.41 O ATOM 1384 CB SER A 92 -5.686 -18.951 18.594 1.00 34.22 C ATOM 1385 OG SER A 92 -6.102 -20.060 17.801 1.00 42.54 O ATOM 0 H SER A 92 -5.306 -16.663 17.665 1.00 1.42 H new ATOM 0 HA SER A 92 -7.648 -18.228 18.162 1.00 21.31 H new ATOM 0 HB2 SER A 92 -4.754 -18.550 18.196 1.00 34.22 H new ATOM 0 HB3 SER A 92 -5.480 -19.289 19.610 1.00 34.22 H new ATOM 0 HG SER A 92 -5.400 -20.744 17.802 1.00 42.54 H new ATOM 1391 N ASP A 93 -6.082 -16.852 20.706 1.00 42.02 N ATOM 1392 CA ASP A 93 -6.263 -16.416 22.119 1.00 4.31 C ATOM 1393 C ASP A 93 -7.417 -15.413 22.214 1.00 50.42 C ATOM 1394 O ASP A 93 -7.954 -15.255 23.309 1.00 1.41 O ATOM 1395 CB ASP A 93 -4.940 -15.750 22.500 1.00 40.41 C ATOM 1396 CG ASP A 93 -4.492 -14.820 21.371 1.00 4.12 C ATOM 1397 OD1 ASP A 93 -5.354 -14.276 20.700 1.00 4.31 O ATOM 1398 OD2 ASP A 93 -3.294 -14.668 21.194 1.00 1.23 O ATOM 0 H ASP A 93 -5.169 -16.643 20.302 1.00 42.02 H new ATOM 0 HA ASP A 93 -6.506 -17.246 22.782 1.00 4.31 H new ATOM 0 HB2 ASP A 93 -5.058 -15.186 23.425 1.00 40.41 H new ATOM 0 HB3 ASP A 93 -4.179 -16.508 22.684 1.00 40.41 H new ATOM 1403 N GLY A 94 -7.765 -14.771 21.108 1.00 60.10 N ATOM 1404 CA GLY A 94 -8.846 -13.800 21.115 1.00 60.13 C ATOM 1405 C GLY A 94 -8.693 -12.818 22.278 1.00 52.54 C ATOM 1406 O GLY A 94 -9.470 -12.853 23.231 1.00 42.12 O ATOM 0 H GLY A 94 -7.317 -14.904 20.201 1.00 60.10 H new ATOM 0 HA2 GLY A 94 -8.855 -13.254 20.172 1.00 60.13 H new ATOM 0 HA3 GLY A 94 -9.803 -14.316 21.194 1.00 60.13 H new ATOM 1410 N ASP A 95 -7.687 -11.964 22.161 1.00 41.33 N ATOM 1411 CA ASP A 95 -7.422 -10.973 23.190 1.00 34.23 C ATOM 1412 C ASP A 95 -7.986 -9.621 22.748 1.00 35.44 C ATOM 1413 O ASP A 95 -8.173 -8.724 23.569 1.00 20.30 O ATOM 1414 CB ASP A 95 -5.919 -10.806 23.420 1.00 11.23 C ATOM 1415 CG ASP A 95 -5.125 -12.112 23.482 1.00 30.15 C ATOM 1416 OD1 ASP A 95 -3.911 -12.134 23.230 1.00 73.33 O ATOM 1417 OD2 ASP A 95 -5.813 -13.153 23.811 1.00 4.12 O ATOM 0 H ASP A 95 -7.045 -11.938 21.369 1.00 41.33 H new ATOM 0 HA ASP A 95 -7.893 -11.312 24.113 1.00 34.23 H new ATOM 0 HB2 ASP A 95 -5.511 -10.188 22.620 1.00 11.23 H new ATOM 0 HB3 ASP A 95 -5.768 -10.262 24.352 1.00 11.23 H new ATOM 1423 N GLY A 96 -8.242 -9.518 21.453 1.00 74.15 N ATOM 1424 CA GLY A 96 -8.781 -8.291 20.892 1.00 55.14 C ATOM 1425 C GLY A 96 -7.859 -7.732 19.807 1.00 65.13 C ATOM 1426 O GLY A 96 -8.097 -6.645 19.283 1.00 11.13 O ATOM 0 H GLY A 96 -8.086 -10.264 20.775 1.00 74.15 H new ATOM 0 HA2 GLY A 96 -9.768 -8.482 20.472 1.00 55.14 H new ATOM 0 HA3 GLY A 96 -8.909 -7.551 21.682 1.00 55.14 H new ATOM 1430 N LYS A 97 -6.824 -8.501 19.501 1.00 22.12 N ATOM 1431 CA LYS A 97 -5.864 -8.097 18.488 1.00 1.51 C ATOM 1432 C LYS A 97 -5.267 -9.343 17.831 1.00 2.41 C ATOM 1433 O LYS A 97 -5.627 -10.466 18.180 1.00 52.33 O ATOM 1434 CB LYS A 97 -4.817 -7.156 19.088 1.00 41.45 C ATOM 1435 CG LYS A 97 -5.424 -6.296 20.198 1.00 0.11 C ATOM 1436 CD LYS A 97 -4.353 -5.438 20.875 1.00 61.11 C ATOM 1437 CE LYS A 97 -3.514 -6.273 21.845 1.00 52.32 C ATOM 1438 NZ LYS A 97 -4.077 -6.199 23.212 1.00 62.52 N ATOM 0 H LYS A 97 -6.629 -9.402 19.937 1.00 22.12 H new ATOM 0 HA LYS A 97 -6.358 -7.527 17.701 1.00 1.51 H new ATOM 0 HB2 LYS A 97 -3.986 -7.738 19.487 1.00 41.45 H new ATOM 0 HB3 LYS A 97 -4.410 -6.514 18.307 1.00 41.45 H new ATOM 0 HG2 LYS A 97 -6.200 -5.654 19.782 1.00 0.11 H new ATOM 0 HG3 LYS A 97 -5.903 -6.937 20.938 1.00 0.11 H new ATOM 0 HD2 LYS A 97 -3.706 -4.994 20.119 1.00 61.11 H new ATOM 0 HD3 LYS A 97 -4.826 -4.616 21.412 1.00 61.11 H new ATOM 0 HE2 LYS A 97 -3.487 -7.311 21.512 1.00 52.32 H new ATOM 0 HE3 LYS A 97 -2.485 -5.913 21.849 1.00 52.32 H new ATOM 0 HZ1 LYS A 97 -3.496 -6.771 23.858 1.00 62.52 H new ATOM 0 HZ2 LYS A 97 -4.080 -5.210 23.533 1.00 62.52 H new ATOM 0 HZ3 LYS A 97 -5.051 -6.564 23.207 1.00 62.52 H new ATOM 1451 N ILE A 98 -4.364 -9.102 16.892 1.00 62.02 N ATOM 1452 CA ILE A 98 -3.713 -10.191 16.183 1.00 52.22 C ATOM 1453 C ILE A 98 -2.212 -9.908 16.090 1.00 74.15 C ATOM 1454 O ILE A 98 -1.787 -9.042 15.327 1.00 4.55 O ATOM 1455 CB ILE A 98 -4.381 -10.421 14.826 1.00 71.23 C ATOM 1456 CG1 ILE A 98 -5.626 -11.299 14.969 1.00 21.23 C ATOM 1457 CG2 ILE A 98 -3.387 -10.997 13.816 1.00 65.51 C ATOM 1458 CD1 ILE A 98 -6.040 -11.888 13.619 1.00 13.03 C ATOM 0 H ILE A 98 -4.068 -8.169 16.606 1.00 62.02 H new ATOM 0 HA ILE A 98 -3.828 -11.126 16.732 1.00 52.22 H new ATOM 0 HB ILE A 98 -4.710 -9.456 14.440 1.00 71.23 H new ATOM 0 HG12 ILE A 98 -5.428 -12.105 15.676 1.00 21.23 H new ATOM 0 HG13 ILE A 98 -6.446 -10.709 15.379 1.00 21.23 H new ATOM 0 HG21 ILE A 98 -3.888 -11.151 12.860 1.00 65.51 H new ATOM 0 HG22 ILE A 98 -2.558 -10.301 13.684 1.00 65.51 H new ATOM 0 HG23 ILE A 98 -3.006 -11.950 14.183 1.00 65.51 H new ATOM 0 HD11 ILE A 98 -6.927 -12.508 13.749 1.00 13.03 H new ATOM 0 HD12 ILE A 98 -6.261 -11.080 12.922 1.00 13.03 H new ATOM 0 HD13 ILE A 98 -5.227 -12.497 13.223 1.00 13.03 H new ATOM 1470 N GLY A 99 -1.452 -10.656 16.876 1.00 41.33 N ATOM 1471 CA GLY A 99 -0.008 -10.496 16.891 1.00 23.44 C ATOM 1472 C GLY A 99 0.647 -11.318 15.779 1.00 33.20 C ATOM 1473 O GLY A 99 -0.022 -11.732 14.833 1.00 24.30 O ATOM 0 H GLY A 99 -1.809 -11.374 17.507 1.00 41.33 H new ATOM 0 HA2 GLY A 99 0.246 -9.443 16.767 1.00 23.44 H new ATOM 0 HA3 GLY A 99 0.386 -10.808 17.858 1.00 23.44 H new ATOM 1477 N ILE A 100 1.946 -11.530 15.930 1.00 51.24 N ATOM 1478 CA ILE A 100 2.698 -12.295 14.950 1.00 41.35 C ATOM 1479 C ILE A 100 2.442 -13.787 15.168 1.00 73.20 C ATOM 1480 O ILE A 100 2.086 -14.503 14.233 1.00 43.01 O ATOM 1481 CB ILE A 100 4.179 -11.912 14.993 1.00 31.31 C ATOM 1482 CG1 ILE A 100 4.833 -12.094 13.622 1.00 53.23 C ATOM 1483 CG2 ILE A 100 4.914 -12.690 16.086 1.00 22.42 C ATOM 1484 CD1 ILE A 100 4.694 -13.538 13.135 1.00 0.31 C ATOM 0 H ILE A 100 2.497 -11.185 16.716 1.00 51.24 H new ATOM 0 HA ILE A 100 2.360 -12.058 13.941 1.00 41.35 H new ATOM 0 HB ILE A 100 4.251 -10.854 15.246 1.00 31.31 H new ATOM 0 HG12 ILE A 100 4.371 -11.418 12.902 1.00 53.23 H new ATOM 0 HG13 ILE A 100 5.888 -11.826 13.680 1.00 53.23 H new ATOM 0 HG21 ILE A 100 5.965 -12.399 16.096 1.00 22.42 H new ATOM 0 HG22 ILE A 100 4.467 -12.467 17.055 1.00 22.42 H new ATOM 0 HG23 ILE A 100 4.835 -13.759 15.888 1.00 22.42 H new ATOM 0 HD11 ILE A 100 5.167 -13.640 12.158 1.00 0.31 H new ATOM 0 HD12 ILE A 100 5.178 -14.209 13.844 1.00 0.31 H new ATOM 0 HD13 ILE A 100 3.638 -13.795 13.055 1.00 0.31 H new ATOM 1496 N ASP A 101 2.632 -14.212 16.408 1.00 22.42 N ATOM 1497 CA ASP A 101 2.426 -15.607 16.761 1.00 0.34 C ATOM 1498 C ASP A 101 1.040 -16.049 16.288 1.00 13.53 C ATOM 1499 O ASP A 101 0.823 -17.225 16.002 1.00 22.13 O ATOM 1500 CB ASP A 101 2.495 -15.807 18.277 1.00 75.14 C ATOM 1501 CG ASP A 101 2.079 -14.592 19.109 1.00 61.31 C ATOM 1502 OD1 ASP A 101 1.005 -14.580 19.729 1.00 43.11 O ATOM 1503 OD2 ASP A 101 2.922 -13.615 19.106 1.00 74.43 O ATOM 0 H ASP A 101 2.926 -13.615 17.181 1.00 22.42 H new ATOM 0 HA ASP A 101 3.210 -16.195 16.283 1.00 0.34 H new ATOM 0 HB2 ASP A 101 1.857 -16.649 18.547 1.00 75.14 H new ATOM 0 HB3 ASP A 101 3.515 -16.081 18.546 1.00 75.14 H new ATOM 1509 N GLU A 102 0.137 -15.081 16.220 1.00 33.45 N ATOM 1510 CA GLU A 102 -1.223 -15.356 15.787 1.00 42.20 C ATOM 1511 C GLU A 102 -1.329 -15.238 14.265 1.00 24.42 C ATOM 1512 O GLU A 102 -1.926 -16.093 13.613 1.00 33.11 O ATOM 1513 CB GLU A 102 -2.218 -14.423 16.479 1.00 10.34 C ATOM 1514 CG GLU A 102 -2.225 -14.653 17.992 1.00 62.11 C ATOM 1515 CD GLU A 102 -2.785 -13.435 18.730 1.00 71.44 C ATOM 1516 OE1 GLU A 102 -3.793 -12.887 18.235 1.00 53.42 O ATOM 1517 OE2 GLU A 102 -2.193 -13.081 19.772 1.00 44.13 O ATOM 0 H GLU A 102 0.320 -14.106 16.457 1.00 33.45 H new ATOM 0 HA GLU A 102 -1.475 -16.378 16.072 1.00 42.20 H new ATOM 0 HB2 GLU A 102 -1.958 -13.386 16.266 1.00 10.34 H new ATOM 0 HB3 GLU A 102 -3.218 -14.590 16.078 1.00 10.34 H new ATOM 0 HG2 GLU A 102 -2.825 -15.532 18.227 1.00 62.11 H new ATOM 0 HG3 GLU A 102 -1.211 -14.857 18.337 1.00 62.11 H new ATOM 1524 N PHE A 103 -0.739 -14.173 13.743 1.00 10.35 N ATOM 1525 CA PHE A 103 -0.760 -13.932 12.311 1.00 65.55 C ATOM 1526 C PHE A 103 -0.112 -15.092 11.551 1.00 42.12 C ATOM 1527 O PHE A 103 -0.476 -15.372 10.410 1.00 52.32 O ATOM 1528 CB PHE A 103 0.049 -12.658 12.059 1.00 24.41 C ATOM 1529 CG PHE A 103 0.415 -12.433 10.591 1.00 61.24 C ATOM 1530 CD1 PHE A 103 1.696 -12.621 10.172 1.00 15.12 C ATOM 1531 CD2 PHE A 103 -0.540 -12.045 9.704 1.00 71.33 C ATOM 1532 CE1 PHE A 103 2.035 -12.412 8.809 1.00 11.23 C ATOM 1533 CE2 PHE A 103 -0.201 -11.836 8.341 1.00 63.22 C ATOM 1534 CZ PHE A 103 1.080 -12.024 7.922 1.00 13.14 C ATOM 0 H PHE A 103 -0.243 -13.467 14.287 1.00 10.35 H new ATOM 0 HA PHE A 103 -1.789 -13.835 11.965 1.00 65.55 H new ATOM 0 HB2 PHE A 103 -0.522 -11.801 12.416 1.00 24.41 H new ATOM 0 HB3 PHE A 103 0.965 -12.699 12.649 1.00 24.41 H new ATOM 0 HD1 PHE A 103 2.455 -12.929 10.876 1.00 15.12 H new ATOM 0 HD2 PHE A 103 -1.557 -11.896 10.036 1.00 71.33 H new ATOM 0 HE1 PHE A 103 3.052 -12.561 8.477 1.00 11.23 H new ATOM 0 HE2 PHE A 103 -0.960 -11.528 7.637 1.00 63.22 H new ATOM 0 HZ PHE A 103 1.338 -11.865 6.885 1.00 13.14 H new ATOM 1544 N ALA A 104 0.838 -15.735 12.214 1.00 34.23 N ATOM 1545 CA ALA A 104 1.539 -16.858 11.616 1.00 44.01 C ATOM 1546 C ALA A 104 0.751 -18.143 11.875 1.00 71.31 C ATOM 1547 O ALA A 104 1.090 -19.201 11.346 1.00 0.03 O ATOM 1548 CB ALA A 104 2.963 -16.925 12.172 1.00 22.31 C ATOM 0 H ALA A 104 1.139 -15.499 13.160 1.00 34.23 H new ATOM 0 HA ALA A 104 1.616 -16.731 10.536 1.00 44.01 H new ATOM 0 HB1 ALA A 104 3.489 -17.768 11.724 1.00 22.31 H new ATOM 0 HB2 ALA A 104 3.490 -16.001 11.935 1.00 22.31 H new ATOM 0 HB3 ALA A 104 2.926 -17.055 13.254 1.00 22.31 H new ATOM 1554 N ALA A 105 -0.286 -18.010 12.688 1.00 14.42 N ATOM 1555 CA ALA A 105 -1.126 -19.147 13.024 1.00 61.23 C ATOM 1556 C ALA A 105 -2.148 -19.368 11.907 1.00 71.11 C ATOM 1557 O ALA A 105 -2.244 -20.464 11.356 1.00 12.14 O ATOM 1558 CB ALA A 105 -1.789 -18.910 14.382 1.00 4.21 C ATOM 0 H ALA A 105 -0.564 -17.131 13.125 1.00 14.42 H new ATOM 0 HA ALA A 105 -0.527 -20.054 13.108 1.00 61.23 H new ATOM 0 HB1 ALA A 105 -2.419 -19.763 14.633 1.00 4.21 H new ATOM 0 HB2 ALA A 105 -1.021 -18.789 15.146 1.00 4.21 H new ATOM 0 HB3 ALA A 105 -2.400 -18.009 14.336 1.00 4.21 H new ATOM 1564 N MET A 106 -2.886 -18.310 11.606 1.00 43.44 N ATOM 1565 CA MET A 106 -3.897 -18.374 10.564 1.00 32.14 C ATOM 1566 C MET A 106 -3.310 -18.922 9.262 1.00 4.13 C ATOM 1567 O MET A 106 -4.038 -19.441 8.418 1.00 33.44 O ATOM 1568 CB MET A 106 -4.467 -16.976 10.319 1.00 52.31 C ATOM 1569 CG MET A 106 -3.352 -15.977 10.004 1.00 51.33 C ATOM 1570 SD MET A 106 -3.878 -14.323 10.421 1.00 1.14 S ATOM 1571 CE MET A 106 -5.603 -14.424 9.974 1.00 10.13 C ATOM 0 H MET A 106 -2.804 -17.403 12.066 1.00 43.44 H new ATOM 0 HA MET A 106 -4.689 -19.046 10.894 1.00 32.14 H new ATOM 0 HB2 MET A 106 -5.176 -17.008 9.492 1.00 52.31 H new ATOM 0 HB3 MET A 106 -5.019 -16.645 11.199 1.00 52.31 H new ATOM 0 HG2 MET A 106 -2.453 -16.234 10.565 1.00 51.33 H new ATOM 0 HG3 MET A 106 -3.094 -16.029 8.946 1.00 51.33 H new ATOM 0 HE1 MET A 106 -6.041 -13.426 9.985 1.00 10.13 H new ATOM 0 HE2 MET A 106 -5.696 -14.850 8.975 1.00 10.13 H new ATOM 0 HE3 MET A 106 -6.128 -15.058 10.689 1.00 10.13 H new ATOM 1581 N ILE A 107 -1.997 -18.787 9.140 1.00 72.11 N ATOM 1582 CA ILE A 107 -1.303 -19.262 7.955 1.00 74.12 C ATOM 1583 C ILE A 107 -0.729 -20.654 8.229 1.00 55.34 C ATOM 1584 O ILE A 107 -0.829 -21.546 7.388 1.00 24.31 O ATOM 1585 CB ILE A 107 -0.256 -18.243 7.503 1.00 43.22 C ATOM 1586 CG1 ILE A 107 0.636 -17.818 8.672 1.00 55.55 C ATOM 1587 CG2 ILE A 107 -0.916 -17.044 6.820 1.00 54.32 C ATOM 1588 CD1 ILE A 107 1.839 -17.012 8.178 1.00 1.13 C ATOM 0 H ILE A 107 -1.396 -18.356 9.842 1.00 72.11 H new ATOM 0 HA ILE A 107 -1.998 -19.362 7.121 1.00 74.12 H new ATOM 0 HB ILE A 107 0.387 -18.720 6.764 1.00 43.22 H new ATOM 0 HG12 ILE A 107 0.058 -17.220 9.377 1.00 55.55 H new ATOM 0 HG13 ILE A 107 0.981 -18.701 9.210 1.00 55.55 H new ATOM 0 HG21 ILE A 107 -0.149 -16.335 6.509 1.00 54.32 H new ATOM 0 HG22 ILE A 107 -1.472 -17.384 5.946 1.00 54.32 H new ATOM 0 HG23 ILE A 107 -1.598 -16.558 7.518 1.00 54.32 H new ATOM 0 HD11 ILE A 107 2.457 -16.722 9.028 1.00 1.13 H new ATOM 0 HD12 ILE A 107 2.428 -17.621 7.492 1.00 1.13 H new ATOM 0 HD13 ILE A 107 1.490 -16.118 7.661 1.00 1.13 H new ATOM 1600 N LYS A 108 -0.142 -20.795 9.408 1.00 62.04 N ATOM 1601 CA LYS A 108 0.448 -22.063 9.803 1.00 40.23 C ATOM 1602 C LYS A 108 -0.653 -23.119 9.919 1.00 52.44 C ATOM 1603 O LYS A 108 -0.373 -24.316 9.914 1.00 61.30 O ATOM 1604 CB LYS A 108 1.275 -21.894 11.079 1.00 63.43 C ATOM 1605 CG LYS A 108 1.802 -23.243 11.573 1.00 74.40 C ATOM 1606 CD LYS A 108 3.216 -23.106 12.139 1.00 2.24 C ATOM 1607 CE LYS A 108 3.981 -24.426 12.030 1.00 64.22 C ATOM 1608 NZ LYS A 108 5.221 -24.375 12.837 1.00 31.30 N ATOM 0 H LYS A 108 -0.062 -20.052 10.103 1.00 62.04 H new ATOM 0 HA LYS A 108 1.146 -22.412 9.042 1.00 40.23 H new ATOM 0 HB2 LYS A 108 2.111 -21.221 10.889 1.00 63.43 H new ATOM 0 HB3 LYS A 108 0.664 -21.432 11.854 1.00 63.43 H new ATOM 0 HG2 LYS A 108 1.136 -23.638 12.340 1.00 74.40 H new ATOM 0 HG3 LYS A 108 1.803 -23.960 10.752 1.00 74.40 H new ATOM 0 HD2 LYS A 108 3.753 -22.325 11.601 1.00 2.24 H new ATOM 0 HD3 LYS A 108 3.165 -22.796 13.183 1.00 2.24 H new ATOM 0 HE2 LYS A 108 3.351 -25.247 12.372 1.00 64.22 H new ATOM 0 HE3 LYS A 108 4.227 -24.626 10.987 1.00 64.22 H new ATOM 0 HZ1 LYS A 108 5.728 -25.279 12.752 1.00 31.30 H new ATOM 0 HZ2 LYS A 108 5.828 -23.604 12.493 1.00 31.30 H new ATOM 0 HZ3 LYS A 108 4.979 -24.206 13.834 1.00 31.30 H new ATOM 1621 N GLY A 109 -1.883 -22.636 10.020 1.00 70.11 N ATOM 1622 CA GLY A 109 -3.028 -23.523 10.137 1.00 62.41 C ATOM 1623 C GLY A 109 -3.831 -23.557 8.835 1.00 10.41 C ATOM 1624 O GLY A 109 -4.307 -22.523 8.369 1.00 40.33 O ATOM 0 H GLY A 109 -2.111 -21.642 10.023 1.00 70.11 H new ATOM 0 HA2 GLY A 109 -2.689 -24.529 10.386 1.00 62.41 H new ATOM 0 HA3 GLY A 109 -3.668 -23.191 10.954 1.00 62.41 H new TER 1628 GLY A 109 HETATM 1629 CA CA A 201 -0.688 -2.288 15.018 1.00 2.10 CA HETATM 1630 CA CA A 202 -4.261 -11.278 20.538 1.00 12.13 CA