USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 797 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 41 THR OG1 : rot -150:sc= -0.287 USER MOD Set 1.2: A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 53 GLN : amide:sc= 0 K(o=-1.6,f=-0.97) USER MOD Set 2.2: A 69 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.97) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 151:sc= -0.126 (180deg=-0.758) USER MOD Single : A 13 THR OG1 : rot 75:sc= 1.04 USER MOD Single : A 19 CYS SG : rot 140:sc= -5.56 USER MOD Single : A 20 LYS NZ :NH3+ -111:sc= 0 (180deg=-1.33!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -2.61! K(o=-2.6!,f=-3.3) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.0106 (180deg=-0.198) USER MOD Single : A 34 CYS SG : rot -60:sc= -8.44! 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 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 149:sc= -0.244 (180deg=-1.43!) USER MOD Single : A 56 SER OG : rot -165:sc= 0.0436 USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= -1.5! (180deg=-1.61!) USER MOD Single : A 70 ASN : amide:sc= -15.8! C(o=-16!,f=-14!) USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0581) USER MOD Single : A 79 SER OG : rot -98:sc= -0.0589! USER MOD Single : A 83 THR OG1 : rot 89:sc= -2.65 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -175:sc= -7.27! (180deg=-7.47!) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 2 4.713 -3.202 -0.377 1.00 71.15 N ATOM 30 CA ALA A 2 5.937 -3.649 0.265 1.00 45.44 C ATOM 31 C ALA A 2 6.230 -5.091 -0.153 1.00 23.24 C ATOM 32 O ALA A 2 7.373 -5.435 -0.452 1.00 52.21 O ATOM 33 CB ALA A 2 5.804 -3.496 1.781 1.00 11.01 C ATOM 0 HA ALA A 2 6.782 -3.037 -0.051 1.00 45.44 H new ATOM 0 HB1 ALA A 2 6.723 -3.831 2.263 1.00 11.01 H new ATOM 0 HB2 ALA A 2 5.627 -2.449 2.027 1.00 11.01 H new ATOM 0 HB3 ALA A 2 4.968 -4.098 2.136 1.00 11.01 H new ATOM 39 N PHE A 3 5.178 -5.897 -0.159 1.00 5.30 N ATOM 40 CA PHE A 3 5.308 -7.294 -0.535 1.00 24.44 C ATOM 41 C PHE A 3 5.853 -7.431 -1.958 1.00 33.31 C ATOM 42 O PHE A 3 6.286 -8.510 -2.359 1.00 61.24 O ATOM 43 CB PHE A 3 3.907 -7.905 -0.476 1.00 71.32 C ATOM 44 CG PHE A 3 3.544 -8.500 0.886 1.00 73.22 C ATOM 45 CD1 PHE A 3 2.669 -7.851 1.700 1.00 3.32 C ATOM 46 CD2 PHE A 3 4.095 -9.678 1.282 1.00 22.51 C ATOM 47 CE1 PHE A 3 2.332 -8.403 2.964 1.00 2.22 C ATOM 48 CE2 PHE A 3 3.758 -10.231 2.546 1.00 1.42 C ATOM 49 CZ PHE A 3 2.884 -9.581 3.361 1.00 73.04 C ATOM 0 H PHE A 3 4.232 -5.609 0.091 1.00 5.30 H new ATOM 0 HA PHE A 3 6.000 -7.798 0.140 1.00 24.44 H new ATOM 0 HB2 PHE A 3 3.176 -7.138 -0.732 1.00 71.32 H new ATOM 0 HB3 PHE A 3 3.830 -8.685 -1.234 1.00 71.32 H new ATOM 0 HD1 PHE A 3 2.230 -6.916 1.385 1.00 3.32 H new ATOM 0 HD2 PHE A 3 4.789 -10.194 0.635 1.00 22.51 H new ATOM 0 HE1 PHE A 3 1.637 -7.887 3.610 1.00 2.22 H new ATOM 0 HE2 PHE A 3 4.195 -11.167 2.860 1.00 1.42 H new ATOM 0 HZ PHE A 3 2.629 -10.000 4.323 1.00 73.04 H new ATOM 59 N ALA A 4 5.813 -6.322 -2.682 1.00 35.51 N ATOM 60 CA ALA A 4 6.296 -6.305 -4.052 1.00 23.21 C ATOM 61 C ALA A 4 7.708 -6.892 -4.097 1.00 25.31 C ATOM 62 O ALA A 4 8.159 -7.356 -5.144 1.00 12.25 O ATOM 63 CB ALA A 4 6.242 -4.876 -4.595 1.00 14.21 C ATOM 0 H ALA A 4 5.453 -5.429 -2.345 1.00 35.51 H new ATOM 0 HA ALA A 4 5.662 -6.920 -4.690 1.00 23.21 H new ATOM 0 HB1 ALA A 4 6.604 -4.863 -5.623 1.00 14.21 H new ATOM 0 HB2 ALA A 4 5.214 -4.515 -4.568 1.00 14.21 H new ATOM 0 HB3 ALA A 4 6.869 -4.230 -3.981 1.00 14.21 H new ATOM 69 N SER A 5 8.368 -6.853 -2.948 1.00 71.45 N ATOM 70 CA SER A 5 9.720 -7.376 -2.844 1.00 13.24 C ATOM 71 C SER A 5 9.696 -8.762 -2.197 1.00 62.42 C ATOM 72 O SER A 5 10.444 -9.652 -2.600 1.00 52.05 O ATOM 73 CB SER A 5 10.615 -6.431 -2.040 1.00 14.54 C ATOM 74 OG SER A 5 10.858 -5.208 -2.731 1.00 73.41 O ATOM 0 H SER A 5 7.992 -6.468 -2.082 1.00 71.45 H new ATOM 0 HA SER A 5 10.134 -7.458 -3.849 1.00 13.24 H new ATOM 0 HB2 SER A 5 10.146 -6.218 -1.079 1.00 14.54 H new ATOM 0 HB3 SER A 5 11.565 -6.923 -1.829 1.00 14.54 H new ATOM 0 HG SER A 5 11.432 -4.632 -2.184 1.00 73.41 H new ATOM 80 N VAL A 6 8.830 -8.903 -1.205 1.00 14.11 N ATOM 81 CA VAL A 6 8.699 -10.166 -0.499 1.00 32.02 C ATOM 82 C VAL A 6 8.201 -11.239 -1.469 1.00 53.34 C ATOM 83 O VAL A 6 8.896 -12.221 -1.725 1.00 12.13 O ATOM 84 CB VAL A 6 7.789 -9.993 0.719 1.00 10.11 C ATOM 85 CG1 VAL A 6 7.607 -11.319 1.460 1.00 14.01 C ATOM 86 CG2 VAL A 6 8.328 -8.910 1.656 1.00 32.45 C ATOM 0 H VAL A 6 8.212 -8.163 -0.873 1.00 14.11 H new ATOM 0 HA VAL A 6 9.667 -10.494 -0.121 1.00 32.02 H new ATOM 0 HB VAL A 6 6.810 -9.671 0.363 1.00 10.11 H new ATOM 0 HG11 VAL A 6 6.956 -11.168 2.321 1.00 14.01 H new ATOM 0 HG12 VAL A 6 7.158 -12.052 0.790 1.00 14.01 H new ATOM 0 HG13 VAL A 6 8.577 -11.683 1.798 1.00 14.01 H new ATOM 0 HG21 VAL A 6 7.663 -8.807 2.513 1.00 32.45 H new ATOM 0 HG22 VAL A 6 9.324 -9.190 2.000 1.00 32.45 H new ATOM 0 HG23 VAL A 6 8.382 -7.961 1.122 1.00 32.45 H new ATOM 96 N LEU A 7 7.001 -11.014 -1.984 1.00 73.41 N ATOM 97 CA LEU A 7 6.402 -11.950 -2.921 1.00 55.41 C ATOM 98 C LEU A 7 6.355 -11.312 -4.311 1.00 73.43 C ATOM 99 O LEU A 7 6.757 -10.163 -4.485 1.00 72.01 O ATOM 100 CB LEU A 7 5.036 -12.417 -2.412 1.00 43.15 C ATOM 101 CG LEU A 7 5.030 -13.111 -1.049 1.00 1.43 C ATOM 102 CD1 LEU A 7 3.708 -12.871 -0.318 1.00 13.13 C ATOM 103 CD2 LEU A 7 5.345 -14.601 -1.190 1.00 72.23 C ATOM 0 H LEU A 7 6.428 -10.198 -1.770 1.00 73.41 H new ATOM 0 HA LEU A 7 7.011 -12.850 -3.003 1.00 55.41 H new ATOM 0 HB2 LEU A 7 4.375 -11.552 -2.360 1.00 43.15 H new ATOM 0 HB3 LEU A 7 4.610 -13.100 -3.147 1.00 43.15 H new ATOM 0 HG LEU A 7 5.820 -12.672 -0.439 1.00 1.43 H new ATOM 0 HD11 LEU A 7 3.730 -13.375 0.648 1.00 13.13 H new ATOM 0 HD12 LEU A 7 3.565 -11.801 -0.166 1.00 13.13 H new ATOM 0 HD13 LEU A 7 2.886 -13.266 -0.915 1.00 13.13 H new ATOM 0 HD21 LEU A 7 5.334 -15.070 -0.206 1.00 72.23 H new ATOM 0 HD22 LEU A 7 4.595 -15.073 -1.825 1.00 72.23 H new ATOM 0 HD23 LEU A 7 6.330 -14.724 -1.640 1.00 72.23 H new ATOM 115 N LYS A 8 5.860 -12.087 -5.266 1.00 4.12 N ATOM 116 CA LYS A 8 5.756 -11.613 -6.635 1.00 52.43 C ATOM 117 C LYS A 8 4.516 -10.727 -6.770 1.00 53.33 C ATOM 118 O LYS A 8 3.396 -11.182 -6.543 1.00 13.42 O ATOM 119 CB LYS A 8 5.781 -12.789 -7.613 1.00 74.11 C ATOM 120 CG LYS A 8 6.221 -12.335 -9.006 1.00 53.14 C ATOM 121 CD LYS A 8 7.743 -12.199 -9.083 1.00 73.15 C ATOM 122 CE LYS A 8 8.393 -13.531 -9.464 1.00 42.53 C ATOM 123 NZ LYS A 8 7.984 -13.936 -10.828 1.00 21.14 N ATOM 0 H LYS A 8 5.527 -13.040 -5.118 1.00 4.12 H new ATOM 0 HA LYS A 8 6.618 -10.997 -6.892 1.00 52.43 H new ATOM 0 HB2 LYS A 8 6.461 -13.558 -7.246 1.00 74.11 H new ATOM 0 HB3 LYS A 8 4.790 -13.240 -7.670 1.00 74.11 H new ATOM 0 HG2 LYS A 8 5.878 -13.053 -9.751 1.00 53.14 H new ATOM 0 HG3 LYS A 8 5.754 -11.379 -9.245 1.00 53.14 H new ATOM 0 HD2 LYS A 8 8.007 -11.438 -9.817 1.00 73.15 H new ATOM 0 HD3 LYS A 8 8.131 -11.863 -8.122 1.00 73.15 H new ATOM 0 HE2 LYS A 8 9.478 -13.440 -9.415 1.00 42.53 H new ATOM 0 HE3 LYS A 8 8.105 -14.301 -8.748 1.00 42.53 H new ATOM 0 HZ1 LYS A 8 8.738 -14.507 -11.261 1.00 21.14 H new ATOM 0 HZ2 LYS A 8 7.111 -14.498 -10.776 1.00 21.14 H new ATOM 0 HZ3 LYS A 8 7.816 -13.088 -11.406 1.00 21.14 H new ATOM 136 N ASP A 9 4.757 -9.478 -7.140 1.00 4.41 N ATOM 137 CA ASP A 9 3.674 -8.524 -7.308 1.00 1.11 C ATOM 138 C ASP A 9 2.582 -9.147 -8.180 1.00 65.11 C ATOM 139 O ASP A 9 1.407 -8.811 -8.044 1.00 60.20 O ATOM 140 CB ASP A 9 4.164 -7.251 -8.001 1.00 53.20 C ATOM 141 CG ASP A 9 4.987 -7.481 -9.270 1.00 30.11 C ATOM 142 OD1 ASP A 9 4.982 -8.580 -9.844 1.00 74.20 O ATOM 143 OD2 ASP A 9 5.664 -6.460 -9.673 1.00 42.12 O ATOM 0 H ASP A 9 5.687 -9.104 -7.328 1.00 4.41 H new ATOM 0 HA ASP A 9 3.291 -8.272 -6.319 1.00 1.11 H new ATOM 0 HB2 ASP A 9 3.299 -6.637 -8.253 1.00 53.20 H new ATOM 0 HB3 ASP A 9 4.766 -6.679 -7.294 1.00 53.20 H new ATOM 149 N ALA A 10 3.010 -10.044 -9.057 1.00 0.22 N ATOM 150 CA ALA A 10 2.084 -10.717 -9.951 1.00 74.01 C ATOM 151 C ALA A 10 1.339 -11.809 -9.180 1.00 4.12 C ATOM 152 O ALA A 10 0.162 -12.060 -9.433 1.00 63.31 O ATOM 153 CB ALA A 10 2.848 -11.271 -11.155 1.00 72.41 C ATOM 0 H ALA A 10 3.986 -10.320 -9.167 1.00 0.22 H new ATOM 0 HA ALA A 10 1.340 -10.017 -10.331 1.00 74.01 H new ATOM 0 HB1 ALA A 10 2.153 -11.776 -11.826 1.00 72.41 H new ATOM 0 HB2 ALA A 10 3.334 -10.452 -11.685 1.00 72.41 H new ATOM 0 HB3 ALA A 10 3.602 -11.980 -10.813 1.00 72.41 H new ATOM 159 N GLU A 11 2.057 -12.428 -8.254 1.00 74.40 N ATOM 160 CA GLU A 11 1.479 -13.487 -7.444 1.00 71.51 C ATOM 161 C GLU A 11 0.460 -12.908 -6.461 1.00 2.04 C ATOM 162 O GLU A 11 -0.717 -13.263 -6.500 1.00 0.31 O ATOM 163 CB GLU A 11 2.568 -14.271 -6.708 1.00 13.52 C ATOM 164 CG GLU A 11 3.222 -15.301 -7.631 1.00 14.32 C ATOM 165 CD GLU A 11 2.445 -16.619 -7.619 1.00 10.05 C ATOM 166 OE1 GLU A 11 1.279 -16.656 -8.039 1.00 42.44 O ATOM 167 OE2 GLU A 11 3.095 -17.630 -7.152 1.00 22.55 O ATOM 0 H GLU A 11 3.033 -12.217 -8.047 1.00 74.40 H new ATOM 0 HA GLU A 11 0.961 -14.182 -8.105 1.00 71.51 H new ATOM 0 HB2 GLU A 11 3.325 -13.583 -6.331 1.00 13.52 H new ATOM 0 HB3 GLU A 11 2.137 -14.775 -5.843 1.00 13.52 H new ATOM 0 HG2 GLU A 11 3.264 -14.909 -8.647 1.00 14.32 H new ATOM 0 HG3 GLU A 11 4.250 -15.478 -7.314 1.00 14.32 H new ATOM 175 N VAL A 12 0.950 -12.026 -5.602 1.00 30.23 N ATOM 176 CA VAL A 12 0.097 -11.394 -4.610 1.00 31.13 C ATOM 177 C VAL A 12 -1.103 -10.753 -5.310 1.00 1.44 C ATOM 178 O VAL A 12 -2.225 -10.815 -4.809 1.00 23.41 O ATOM 179 CB VAL A 12 0.909 -10.397 -3.780 1.00 54.14 C ATOM 180 CG1 VAL A 12 2.244 -11.004 -3.345 1.00 73.43 C ATOM 181 CG2 VAL A 12 1.124 -9.092 -4.549 1.00 45.14 C ATOM 0 H VAL A 12 1.927 -11.734 -5.573 1.00 30.23 H new ATOM 0 HA VAL A 12 -0.292 -12.136 -3.912 1.00 31.13 H new ATOM 0 HB VAL A 12 0.338 -10.166 -2.881 1.00 54.14 H new ATOM 0 HG11 VAL A 12 2.801 -10.275 -2.757 1.00 73.43 H new ATOM 0 HG12 VAL A 12 2.060 -11.893 -2.741 1.00 73.43 H new ATOM 0 HG13 VAL A 12 2.824 -11.278 -4.227 1.00 73.43 H new ATOM 0 HG21 VAL A 12 1.704 -8.401 -3.937 1.00 45.14 H new ATOM 0 HG22 VAL A 12 1.664 -9.299 -5.473 1.00 45.14 H new ATOM 0 HG23 VAL A 12 0.158 -8.645 -4.785 1.00 45.14 H new ATOM 191 N THR A 13 -0.826 -10.150 -6.457 1.00 22.24 N ATOM 192 CA THR A 13 -1.868 -9.498 -7.230 1.00 54.23 C ATOM 193 C THR A 13 -3.096 -10.404 -7.341 1.00 52.22 C ATOM 194 O THR A 13 -4.211 -9.985 -7.032 1.00 61.32 O ATOM 195 CB THR A 13 -1.277 -9.107 -8.586 1.00 62.52 C ATOM 196 OG1 THR A 13 -0.757 -7.798 -8.374 1.00 51.32 O ATOM 197 CG2 THR A 13 -2.350 -8.913 -9.659 1.00 60.43 C ATOM 0 H THR A 13 0.106 -10.100 -6.869 1.00 22.24 H new ATOM 0 HA THR A 13 -2.216 -8.590 -6.737 1.00 54.23 H new ATOM 0 HB THR A 13 -0.575 -9.875 -8.910 1.00 62.52 H new ATOM 0 HG1 THR A 13 0.069 -7.855 -7.849 1.00 51.32 H new ATOM 0 HG21 THR A 13 -1.877 -8.637 -10.601 1.00 60.43 H new ATOM 0 HG22 THR A 13 -2.905 -9.842 -9.791 1.00 60.43 H new ATOM 0 HG23 THR A 13 -3.034 -8.122 -9.351 1.00 60.43 H new ATOM 205 N ALA A 14 -2.850 -11.628 -7.783 1.00 73.40 N ATOM 206 CA ALA A 14 -3.922 -12.597 -7.939 1.00 30.25 C ATOM 207 C ALA A 14 -4.552 -12.878 -6.573 1.00 13.42 C ATOM 208 O ALA A 14 -5.715 -13.272 -6.491 1.00 5.23 O ATOM 209 CB ALA A 14 -3.374 -13.864 -8.599 1.00 4.33 C ATOM 0 H ALA A 14 -1.924 -11.971 -8.038 1.00 73.40 H new ATOM 0 HA ALA A 14 -4.703 -12.203 -8.589 1.00 30.25 H new ATOM 0 HB1 ALA A 14 -4.178 -14.590 -8.716 1.00 4.33 H new ATOM 0 HB2 ALA A 14 -2.964 -13.616 -9.578 1.00 4.33 H new ATOM 0 HB3 ALA A 14 -2.589 -14.289 -7.974 1.00 4.33 H new ATOM 215 N ALA A 15 -3.757 -12.663 -5.535 1.00 34.23 N ATOM 216 CA ALA A 15 -4.223 -12.888 -4.177 1.00 21.03 C ATOM 217 C ALA A 15 -5.134 -11.733 -3.757 1.00 3.44 C ATOM 218 O ALA A 15 -5.950 -11.880 -2.848 1.00 43.51 O ATOM 219 CB ALA A 15 -3.020 -13.051 -3.245 1.00 53.11 C ATOM 0 H ALA A 15 -2.794 -12.336 -5.607 1.00 34.23 H new ATOM 0 HA ALA A 15 -4.807 -13.806 -4.119 1.00 21.03 H new ATOM 0 HB1 ALA A 15 -3.369 -13.220 -2.226 1.00 53.11 H new ATOM 0 HB2 ALA A 15 -2.421 -13.902 -3.569 1.00 53.11 H new ATOM 0 HB3 ALA A 15 -2.411 -12.147 -3.275 1.00 53.11 H new ATOM 225 N LEU A 16 -4.964 -10.609 -4.438 1.00 65.21 N ATOM 226 CA LEU A 16 -5.760 -9.429 -4.147 1.00 30.30 C ATOM 227 C LEU A 16 -7.082 -9.510 -4.914 1.00 4.43 C ATOM 228 O LEU A 16 -8.138 -9.186 -4.373 1.00 21.23 O ATOM 229 CB LEU A 16 -4.959 -8.158 -4.434 1.00 2.11 C ATOM 230 CG LEU A 16 -3.947 -7.747 -3.362 1.00 50.54 C ATOM 231 CD1 LEU A 16 -2.770 -6.990 -3.981 1.00 71.14 C ATOM 232 CD2 LEU A 16 -4.623 -6.943 -2.249 1.00 71.35 C ATOM 0 H LEU A 16 -4.286 -10.491 -5.191 1.00 65.21 H new ATOM 0 HA LEU A 16 -6.008 -9.388 -3.086 1.00 30.30 H new ATOM 0 HB2 LEU A 16 -4.427 -8.293 -5.376 1.00 2.11 H new ATOM 0 HB3 LEU A 16 -5.660 -7.336 -4.579 1.00 2.11 H new ATOM 0 HG LEU A 16 -3.545 -8.652 -2.907 1.00 50.54 H new ATOM 0 HD11 LEU A 16 -2.066 -6.709 -3.198 1.00 71.14 H new ATOM 0 HD12 LEU A 16 -2.269 -7.629 -4.708 1.00 71.14 H new ATOM 0 HD13 LEU A 16 -3.136 -6.092 -4.478 1.00 71.14 H new ATOM 0 HD21 LEU A 16 -3.882 -6.664 -1.500 1.00 71.35 H new ATOM 0 HD22 LEU A 16 -5.070 -6.043 -2.671 1.00 71.35 H new ATOM 0 HD23 LEU A 16 -5.399 -7.549 -1.782 1.00 71.35 H new ATOM 244 N ASP A 17 -6.980 -9.943 -6.162 1.00 5.43 N ATOM 245 CA ASP A 17 -8.154 -10.069 -7.008 1.00 63.42 C ATOM 246 C ASP A 17 -8.994 -11.256 -6.533 1.00 32.05 C ATOM 247 O ASP A 17 -10.161 -11.383 -6.902 1.00 3.22 O ATOM 248 CB ASP A 17 -7.758 -10.324 -8.464 1.00 51.21 C ATOM 249 CG ASP A 17 -8.816 -9.936 -9.499 1.00 35.51 C ATOM 250 OD1 ASP A 17 -9.324 -10.789 -10.243 1.00 13.33 O ATOM 251 OD2 ASP A 17 -9.121 -8.683 -9.524 1.00 61.25 O ATOM 0 H ASP A 17 -6.102 -10.211 -6.607 1.00 5.43 H new ATOM 0 HA ASP A 17 -8.717 -9.138 -6.944 1.00 63.42 H new ATOM 0 HB2 ASP A 17 -6.843 -9.772 -8.678 1.00 51.21 H new ATOM 0 HB3 ASP A 17 -7.527 -11.383 -8.582 1.00 51.21 H new ATOM 257 N GLY A 18 -8.369 -12.095 -5.720 1.00 61.20 N ATOM 258 CA GLY A 18 -9.045 -13.267 -5.190 1.00 22.21 C ATOM 259 C GLY A 18 -9.962 -12.891 -4.024 1.00 65.01 C ATOM 260 O GLY A 18 -10.919 -13.604 -3.727 1.00 65.41 O ATOM 0 H GLY A 18 -7.402 -11.986 -5.415 1.00 61.20 H new ATOM 0 HA2 GLY A 18 -9.629 -13.742 -5.978 1.00 22.21 H new ATOM 0 HA3 GLY A 18 -8.307 -13.997 -4.856 1.00 22.21 H new ATOM 264 N CYS A 19 -9.637 -11.771 -3.395 1.00 65.20 N ATOM 265 CA CYS A 19 -10.419 -11.292 -2.268 1.00 42.33 C ATOM 266 C CYS A 19 -11.208 -10.062 -2.721 1.00 15.25 C ATOM 267 O CYS A 19 -12.216 -9.708 -2.111 1.00 33.15 O ATOM 268 CB CYS A 19 -9.537 -10.989 -1.055 1.00 62.32 C ATOM 269 SG CYS A 19 -10.488 -10.044 0.190 1.00 30.31 S ATOM 0 H CYS A 19 -8.843 -11.182 -3.644 1.00 65.20 H new ATOM 0 HA CYS A 19 -11.112 -12.069 -1.945 1.00 42.33 H new ATOM 0 HB2 CYS A 19 -9.174 -11.919 -0.618 1.00 62.32 H new ATOM 0 HB3 CYS A 19 -8.661 -10.419 -1.365 1.00 62.32 H new ATOM 0 HG CYS A 19 -10.198 -10.479 1.380 1.00 30.31 H new ATOM 275 N LYS A 20 -10.721 -9.444 -3.786 1.00 43.21 N ATOM 276 CA LYS A 20 -11.368 -8.261 -4.327 1.00 54.11 C ATOM 277 C LYS A 20 -12.886 -8.451 -4.283 1.00 41.51 C ATOM 278 O LYS A 20 -13.633 -7.482 -4.153 1.00 44.33 O ATOM 279 CB LYS A 20 -10.828 -7.946 -5.723 1.00 52.45 C ATOM 280 CG LYS A 20 -9.624 -7.005 -5.646 1.00 23.30 C ATOM 281 CD LYS A 20 -10.070 -5.542 -5.638 1.00 12.11 C ATOM 282 CE LYS A 20 -10.563 -5.127 -4.250 1.00 51.23 C ATOM 283 NZ LYS A 20 -10.405 -3.668 -4.059 1.00 51.32 N ATOM 0 H LYS A 20 -9.885 -9.740 -4.290 1.00 43.21 H new ATOM 0 HA LYS A 20 -11.137 -7.388 -3.717 1.00 54.11 H new ATOM 0 HB2 LYS A 20 -10.540 -8.871 -6.222 1.00 52.45 H new ATOM 0 HB3 LYS A 20 -11.613 -7.489 -6.326 1.00 52.45 H new ATOM 0 HG2 LYS A 20 -9.049 -7.218 -4.745 1.00 23.30 H new ATOM 0 HG3 LYS A 20 -8.964 -7.183 -6.495 1.00 23.30 H new ATOM 0 HD2 LYS A 20 -9.240 -4.903 -5.939 1.00 12.11 H new ATOM 0 HD3 LYS A 20 -10.865 -5.396 -6.369 1.00 12.11 H new ATOM 0 HE2 LYS A 20 -11.611 -5.404 -4.132 1.00 51.23 H new ATOM 0 HE3 LYS A 20 -10.003 -5.663 -3.483 1.00 51.23 H new ATOM 0 HZ1 LYS A 20 -9.663 -3.489 -3.352 1.00 51.32 H new ATOM 0 HZ2 LYS A 20 -10.137 -3.227 -4.962 1.00 51.32 H new ATOM 0 HZ3 LYS A 20 -11.304 -3.262 -3.728 1.00 51.32 H new ATOM 296 N ALA A 21 -13.297 -9.705 -4.394 1.00 21.22 N ATOM 297 CA ALA A 21 -14.712 -10.034 -4.368 1.00 61.32 C ATOM 298 C ALA A 21 -15.260 -9.800 -2.959 1.00 71.51 C ATOM 299 O ALA A 21 -15.153 -10.670 -2.096 1.00 14.15 O ATOM 300 CB ALA A 21 -14.909 -11.477 -4.839 1.00 14.42 C ATOM 0 H ALA A 21 -12.675 -10.506 -4.502 1.00 21.22 H new ATOM 0 HA ALA A 21 -15.269 -9.390 -5.049 1.00 61.32 H new ATOM 0 HB1 ALA A 21 -15.970 -11.724 -4.820 1.00 14.42 H new ATOM 0 HB2 ALA A 21 -14.530 -11.583 -5.856 1.00 14.42 H new ATOM 0 HB3 ALA A 21 -14.367 -12.153 -4.178 1.00 14.42 H new ATOM 306 N ALA A 22 -15.835 -8.622 -2.770 1.00 51.14 N ATOM 307 CA ALA A 22 -16.400 -8.263 -1.481 1.00 12.32 C ATOM 308 C ALA A 22 -17.148 -9.466 -0.904 1.00 34.12 C ATOM 309 O ALA A 22 -17.833 -10.183 -1.632 1.00 22.52 O ATOM 310 CB ALA A 22 -17.303 -7.038 -1.642 1.00 4.30 C ATOM 0 H ALA A 22 -15.922 -7.903 -3.489 1.00 51.14 H new ATOM 0 HA ALA A 22 -15.611 -7.996 -0.778 1.00 12.32 H new ATOM 0 HB1 ALA A 22 -17.727 -6.769 -0.675 1.00 4.30 H new ATOM 0 HB2 ALA A 22 -16.718 -6.203 -2.027 1.00 4.30 H new ATOM 0 HB3 ALA A 22 -18.108 -7.269 -2.339 1.00 4.30 H new ATOM 316 N GLY A 23 -16.993 -9.650 0.399 1.00 23.10 N ATOM 317 CA GLY A 23 -17.645 -10.754 1.082 1.00 30.31 C ATOM 318 C GLY A 23 -17.173 -12.099 0.525 1.00 34.12 C ATOM 319 O GLY A 23 -17.852 -13.113 0.683 1.00 0.21 O ATOM 0 H GLY A 23 -16.425 -9.053 1.000 1.00 23.10 H new ATOM 0 HA2 GLY A 23 -17.431 -10.703 2.150 1.00 30.31 H new ATOM 0 HA3 GLY A 23 -18.726 -10.669 0.969 1.00 30.31 H new ATOM 323 N SER A 24 -16.014 -12.064 -0.115 1.00 60.40 N ATOM 324 CA SER A 24 -15.444 -13.268 -0.696 1.00 43.23 C ATOM 325 C SER A 24 -13.984 -13.416 -0.264 1.00 65.41 C ATOM 326 O SER A 24 -13.246 -14.226 -0.824 1.00 43.55 O ATOM 327 CB SER A 24 -15.546 -13.244 -2.223 1.00 4.14 C ATOM 328 OG SER A 24 -15.649 -14.555 -2.771 1.00 54.14 O ATOM 0 H SER A 24 -15.454 -11.221 -0.244 1.00 60.40 H new ATOM 0 HA SER A 24 -16.012 -14.125 -0.334 1.00 43.23 H new ATOM 0 HB2 SER A 24 -16.416 -12.658 -2.519 1.00 4.14 H new ATOM 0 HB3 SER A 24 -14.670 -12.746 -2.637 1.00 4.14 H new ATOM 0 HG SER A 24 -15.714 -14.497 -3.747 1.00 54.14 H new ATOM 334 N PHE A 25 -13.610 -12.623 0.729 1.00 50.21 N ATOM 335 CA PHE A 25 -12.251 -12.656 1.243 1.00 53.22 C ATOM 336 C PHE A 25 -11.929 -14.022 1.852 1.00 4.42 C ATOM 337 O PHE A 25 -12.513 -14.408 2.863 1.00 73.20 O ATOM 338 CB PHE A 25 -12.160 -11.589 2.335 1.00 13.34 C ATOM 339 CG PHE A 25 -10.805 -11.537 3.043 1.00 3.30 C ATOM 340 CD1 PHE A 25 -9.677 -11.912 2.381 1.00 34.23 C ATOM 341 CD2 PHE A 25 -10.727 -11.115 4.334 1.00 71.04 C ATOM 342 CE1 PHE A 25 -8.419 -11.864 3.038 1.00 14.10 C ATOM 343 CE2 PHE A 25 -9.469 -11.067 4.990 1.00 10.24 C ATOM 344 CZ PHE A 25 -8.342 -11.442 4.329 1.00 63.33 C ATOM 0 H PHE A 25 -14.225 -11.953 1.192 1.00 50.21 H new ATOM 0 HA PHE A 25 -11.543 -12.472 0.435 1.00 53.22 H new ATOM 0 HB2 PHE A 25 -12.365 -10.614 1.894 1.00 13.34 H new ATOM 0 HB3 PHE A 25 -12.938 -11.774 3.075 1.00 13.34 H new ATOM 0 HD1 PHE A 25 -9.738 -12.246 1.356 1.00 34.23 H new ATOM 0 HD2 PHE A 25 -11.622 -10.817 4.860 1.00 71.04 H new ATOM 0 HE1 PHE A 25 -7.524 -12.162 2.513 1.00 14.10 H new ATOM 0 HE2 PHE A 25 -9.407 -10.732 6.015 1.00 10.24 H new ATOM 0 HZ PHE A 25 -7.385 -11.405 4.829 1.00 63.33 H new ATOM 354 N ASP A 26 -10.999 -14.715 1.212 1.00 43.12 N ATOM 355 CA ASP A 26 -10.591 -16.029 1.678 1.00 32.42 C ATOM 356 C ASP A 26 -9.139 -15.968 2.157 1.00 34.41 C ATOM 357 O ASP A 26 -8.237 -16.455 1.478 1.00 61.22 O ATOM 358 CB ASP A 26 -10.675 -17.063 0.553 1.00 21.25 C ATOM 359 CG ASP A 26 -12.077 -17.612 0.282 1.00 12.15 C ATOM 360 OD1 ASP A 26 -12.850 -17.033 -0.495 1.00 15.32 O ATOM 361 OD2 ASP A 26 -12.370 -18.696 0.917 1.00 72.43 O ATOM 0 H ASP A 26 -10.516 -14.391 0.374 1.00 43.12 H new ATOM 0 HA ASP A 26 -11.259 -16.322 2.488 1.00 32.42 H new ATOM 0 HB2 ASP A 26 -10.294 -16.612 -0.363 1.00 21.25 H new ATOM 0 HB3 ASP A 26 -10.016 -17.896 0.796 1.00 21.25 H new ATOM 367 N HIS A 27 -8.960 -15.366 3.324 1.00 65.35 N ATOM 368 CA HIS A 27 -7.633 -15.235 3.901 1.00 23.33 C ATOM 369 C HIS A 27 -6.843 -16.526 3.672 1.00 52.45 C ATOM 370 O HIS A 27 -5.716 -16.489 3.181 1.00 41.12 O ATOM 371 CB HIS A 27 -7.720 -14.849 5.379 1.00 5.51 C ATOM 372 CG HIS A 27 -8.657 -15.714 6.186 1.00 30.44 C ATOM 373 ND1 HIS A 27 -8.284 -16.941 6.707 1.00 65.35 N ATOM 374 CD2 HIS A 27 -9.955 -15.518 6.558 1.00 44.41 C ATOM 375 CE1 HIS A 27 -9.318 -17.451 7.359 1.00 63.52 C ATOM 376 NE2 HIS A 27 -10.353 -16.568 7.265 1.00 4.21 N ATOM 0 H HIS A 27 -9.711 -14.964 3.885 1.00 65.35 H new ATOM 0 HA HIS A 27 -7.095 -14.428 3.404 1.00 23.33 H new ATOM 0 HB2 HIS A 27 -6.724 -14.904 5.817 1.00 5.51 H new ATOM 0 HB3 HIS A 27 -8.045 -13.811 5.454 1.00 5.51 H new ATOM 0 HD2 HIS A 27 -10.557 -14.654 6.318 1.00 44.41 H new ATOM 0 HE1 HIS A 27 -9.338 -18.400 7.875 1.00 63.52 H new ATOM 0 HE2 HIS A 27 -11.280 -16.694 7.671 1.00 4.21 H new ATOM 384 N LYS A 28 -7.467 -17.636 4.037 1.00 3.12 N ATOM 385 CA LYS A 28 -6.837 -18.935 3.877 1.00 24.41 C ATOM 386 C LYS A 28 -6.335 -19.080 2.439 1.00 61.50 C ATOM 387 O LYS A 28 -5.189 -19.466 2.213 1.00 30.45 O ATOM 388 CB LYS A 28 -7.790 -20.050 4.311 1.00 33.41 C ATOM 389 CG LYS A 28 -7.814 -20.189 5.835 1.00 73.13 C ATOM 390 CD LYS A 28 -8.193 -21.612 6.250 1.00 64.33 C ATOM 391 CE LYS A 28 -8.638 -21.657 7.713 1.00 52.43 C ATOM 392 NZ LYS A 28 -7.463 -21.723 8.611 1.00 53.35 N ATOM 0 H LYS A 28 -8.402 -17.663 4.443 1.00 3.12 H new ATOM 0 HA LYS A 28 -5.967 -19.019 4.529 1.00 24.41 H new ATOM 0 HB2 LYS A 28 -8.795 -19.837 3.946 1.00 33.41 H new ATOM 0 HB3 LYS A 28 -7.481 -20.993 3.861 1.00 33.41 H new ATOM 0 HG2 LYS A 28 -6.835 -19.936 6.242 1.00 73.13 H new ATOM 0 HG3 LYS A 28 -8.527 -19.481 6.257 1.00 73.13 H new ATOM 0 HD2 LYS A 28 -8.996 -21.979 5.611 1.00 64.33 H new ATOM 0 HD3 LYS A 28 -7.341 -22.276 6.105 1.00 64.33 H new ATOM 0 HE2 LYS A 28 -9.232 -20.773 7.946 1.00 52.43 H new ATOM 0 HE3 LYS A 28 -9.278 -22.524 7.878 1.00 52.43 H new ATOM 0 HZ1 LYS A 28 -7.783 -21.753 9.600 1.00 53.35 H new ATOM 0 HZ2 LYS A 28 -6.912 -22.579 8.399 1.00 53.35 H new ATOM 0 HZ3 LYS A 28 -6.867 -20.883 8.465 1.00 53.35 H new ATOM 405 N LYS A 29 -7.218 -18.763 1.503 1.00 22.34 N ATOM 406 CA LYS A 29 -6.879 -18.853 0.093 1.00 21.43 C ATOM 407 C LYS A 29 -5.699 -17.926 -0.204 1.00 0.35 C ATOM 408 O LYS A 29 -4.656 -18.374 -0.676 1.00 25.33 O ATOM 409 CB LYS A 29 -8.110 -18.579 -0.772 1.00 52.43 C ATOM 410 CG LYS A 29 -9.168 -19.668 -0.583 1.00 0.34 C ATOM 411 CD LYS A 29 -8.914 -20.848 -1.523 1.00 33.05 C ATOM 412 CE LYS A 29 -7.939 -21.847 -0.897 1.00 44.02 C ATOM 413 NZ LYS A 29 -8.233 -23.220 -1.364 1.00 62.31 N ATOM 0 H LYS A 29 -8.168 -18.444 1.694 1.00 22.34 H new ATOM 0 HA LYS A 29 -6.560 -19.865 -0.159 1.00 21.43 H new ATOM 0 HB2 LYS A 29 -8.532 -17.608 -0.512 1.00 52.43 H new ATOM 0 HB3 LYS A 29 -7.818 -18.529 -1.821 1.00 52.43 H new ATOM 0 HG2 LYS A 29 -9.159 -20.013 0.451 1.00 0.34 H new ATOM 0 HG3 LYS A 29 -10.159 -19.254 -0.772 1.00 0.34 H new ATOM 0 HD2 LYS A 29 -9.856 -21.347 -1.749 1.00 33.05 H new ATOM 0 HD3 LYS A 29 -8.511 -20.484 -2.468 1.00 33.05 H new ATOM 0 HE2 LYS A 29 -6.916 -21.579 -1.159 1.00 44.02 H new ATOM 0 HE3 LYS A 29 -8.011 -21.803 0.190 1.00 44.02 H new ATOM 0 HZ1 LYS A 29 -7.562 -23.886 -0.930 1.00 62.31 H new ATOM 0 HZ2 LYS A 29 -9.203 -23.479 -1.092 1.00 62.31 H new ATOM 0 HZ3 LYS A 29 -8.141 -23.262 -2.399 1.00 62.31 H new ATOM 426 N PHE A 30 -5.904 -16.649 0.086 1.00 61.14 N ATOM 427 CA PHE A 30 -4.870 -15.654 -0.144 1.00 71.34 C ATOM 428 C PHE A 30 -3.487 -16.213 0.195 1.00 4.44 C ATOM 429 O PHE A 30 -2.628 -16.329 -0.678 1.00 55.31 O ATOM 430 CB PHE A 30 -5.172 -14.474 0.781 1.00 42.34 C ATOM 431 CG PHE A 30 -4.553 -13.151 0.323 1.00 13.03 C ATOM 432 CD1 PHE A 30 -5.340 -12.055 0.154 1.00 14.22 C ATOM 433 CD2 PHE A 30 -3.217 -13.072 0.086 1.00 44.52 C ATOM 434 CE1 PHE A 30 -4.766 -10.827 -0.270 1.00 75.43 C ATOM 435 CE2 PHE A 30 -2.643 -11.844 -0.339 1.00 24.02 C ATOM 436 CZ PHE A 30 -3.430 -10.748 -0.508 1.00 3.22 C ATOM 0 H PHE A 30 -6.771 -16.281 0.478 1.00 61.14 H new ATOM 0 HA PHE A 30 -4.865 -15.357 -1.193 1.00 71.34 H new ATOM 0 HB2 PHE A 30 -6.252 -14.351 0.856 1.00 42.34 H new ATOM 0 HB3 PHE A 30 -4.808 -14.707 1.781 1.00 42.34 H new ATOM 0 HD1 PHE A 30 -6.402 -12.118 0.342 1.00 14.22 H new ATOM 0 HD2 PHE A 30 -2.592 -13.942 0.221 1.00 44.52 H new ATOM 0 HE1 PHE A 30 -5.391 -9.956 -0.403 1.00 75.43 H new ATOM 0 HE2 PHE A 30 -1.582 -11.781 -0.528 1.00 24.02 H new ATOM 0 HZ PHE A 30 -2.993 -9.815 -0.831 1.00 3.22 H new ATOM 446 N PHE A 31 -3.313 -16.543 1.467 1.00 71.44 N ATOM 447 CA PHE A 31 -2.049 -17.087 1.933 1.00 44.34 C ATOM 448 C PHE A 31 -1.644 -18.314 1.113 1.00 3.23 C ATOM 449 O PHE A 31 -0.466 -18.501 0.810 1.00 35.52 O ATOM 450 CB PHE A 31 -2.252 -17.506 3.390 1.00 41.20 C ATOM 451 CG PHE A 31 -2.336 -16.333 4.369 1.00 51.32 C ATOM 452 CD1 PHE A 31 -1.497 -15.271 4.232 1.00 61.32 C ATOM 453 CD2 PHE A 31 -3.250 -16.352 5.376 1.00 51.54 C ATOM 454 CE1 PHE A 31 -1.575 -14.183 5.140 1.00 11.32 C ATOM 455 CE2 PHE A 31 -3.328 -15.263 6.284 1.00 12.11 C ATOM 456 CZ PHE A 31 -2.489 -14.201 6.147 1.00 30.42 C ATOM 0 H PHE A 31 -4.027 -16.444 2.189 1.00 71.44 H new ATOM 0 HA PHE A 31 -1.262 -16.340 1.831 1.00 44.34 H new ATOM 0 HB2 PHE A 31 -3.167 -18.094 3.464 1.00 41.20 H new ATOM 0 HB3 PHE A 31 -1.430 -18.157 3.688 1.00 41.20 H new ATOM 0 HD1 PHE A 31 -0.771 -15.256 3.432 1.00 61.32 H new ATOM 0 HD2 PHE A 31 -3.916 -17.195 5.485 1.00 51.54 H new ATOM 0 HE1 PHE A 31 -0.908 -13.340 5.031 1.00 11.32 H new ATOM 0 HE2 PHE A 31 -4.054 -15.278 7.084 1.00 12.11 H new ATOM 0 HZ PHE A 31 -2.549 -13.373 6.837 1.00 30.42 H new ATOM 466 N LYS A 32 -2.642 -19.118 0.778 1.00 52.50 N ATOM 467 CA LYS A 32 -2.405 -20.321 0.000 1.00 61.34 C ATOM 468 C LYS A 32 -2.050 -19.933 -1.437 1.00 42.20 C ATOM 469 O LYS A 32 -1.431 -20.713 -2.160 1.00 15.40 O ATOM 470 CB LYS A 32 -3.601 -21.270 0.102 1.00 23.23 C ATOM 471 CG LYS A 32 -3.225 -22.678 -0.365 1.00 32.14 C ATOM 472 CD LYS A 32 -4.458 -23.583 -0.424 1.00 44.13 C ATOM 473 CE LYS A 32 -4.055 -25.059 -0.407 1.00 53.13 C ATOM 474 NZ LYS A 32 -3.598 -25.456 0.943 1.00 3.21 N ATOM 0 H LYS A 32 -3.617 -18.959 1.032 1.00 52.50 H new ATOM 0 HA LYS A 32 -1.555 -20.872 0.402 1.00 61.34 H new ATOM 0 HB2 LYS A 32 -3.954 -21.307 1.133 1.00 23.23 H new ATOM 0 HB3 LYS A 32 -4.424 -20.890 -0.503 1.00 23.23 H new ATOM 0 HG2 LYS A 32 -2.760 -22.627 -1.349 1.00 32.14 H new ATOM 0 HG3 LYS A 32 -2.488 -23.106 0.314 1.00 32.14 H new ATOM 0 HD2 LYS A 32 -5.111 -23.371 0.423 1.00 44.13 H new ATOM 0 HD3 LYS A 32 -5.028 -23.368 -1.328 1.00 44.13 H new ATOM 0 HE2 LYS A 32 -4.902 -25.677 -0.707 1.00 53.13 H new ATOM 0 HE3 LYS A 32 -3.260 -25.233 -1.132 1.00 53.13 H new ATOM 0 HZ1 LYS A 32 -3.620 -26.492 1.026 1.00 3.21 H new ATOM 0 HZ2 LYS A 32 -2.626 -25.117 1.094 1.00 3.21 H new ATOM 0 HZ3 LYS A 32 -4.226 -25.038 1.659 1.00 3.21 H new ATOM 487 N ALA A 33 -2.456 -18.728 -1.808 1.00 12.52 N ATOM 488 CA ALA A 33 -2.189 -18.226 -3.145 1.00 64.11 C ATOM 489 C ALA A 33 -0.725 -17.791 -3.239 1.00 23.43 C ATOM 490 O ALA A 33 0.041 -18.342 -4.029 1.00 13.23 O ATOM 491 CB ALA A 33 -3.157 -17.086 -3.466 1.00 51.12 C ATOM 0 H ALA A 33 -2.968 -18.084 -1.205 1.00 12.52 H new ATOM 0 HA ALA A 33 -2.349 -19.008 -3.887 1.00 64.11 H new ATOM 0 HB1 ALA A 33 -2.956 -16.710 -4.469 1.00 51.12 H new ATOM 0 HB2 ALA A 33 -4.182 -17.454 -3.415 1.00 51.12 H new ATOM 0 HB3 ALA A 33 -3.024 -16.281 -2.743 1.00 51.12 H new ATOM 497 N CYS A 34 -0.379 -16.808 -2.421 1.00 53.30 N ATOM 498 CA CYS A 34 0.979 -16.293 -2.402 1.00 3.24 C ATOM 499 C CYS A 34 1.902 -17.393 -1.874 1.00 44.11 C ATOM 500 O CYS A 34 3.110 -17.357 -2.103 1.00 64.33 O ATOM 501 CB CYS A 34 1.087 -15.011 -1.573 1.00 33.44 C ATOM 502 SG CYS A 34 0.338 -15.269 0.077 1.00 14.41 S ATOM 0 H CYS A 34 -1.016 -16.354 -1.766 1.00 53.30 H new ATOM 0 HA CYS A 34 1.281 -16.020 -3.413 1.00 3.24 H new ATOM 0 HB2 CYS A 34 2.133 -14.724 -1.466 1.00 33.44 H new ATOM 0 HB3 CYS A 34 0.583 -14.192 -2.087 1.00 33.44 H new ATOM 0 HG CYS A 34 -0.917 -15.579 -0.060 1.00 14.41 H new ATOM 508 N GLY A 35 1.298 -18.344 -1.178 1.00 25.45 N ATOM 509 CA GLY A 35 2.051 -19.453 -0.616 1.00 3.05 C ATOM 510 C GLY A 35 2.316 -19.236 0.876 1.00 50.03 C ATOM 511 O GLY A 35 2.695 -20.167 1.585 1.00 75.24 O ATOM 0 H GLY A 35 0.296 -18.370 -0.990 1.00 25.45 H new ATOM 0 HA2 GLY A 35 1.499 -20.382 -0.760 1.00 3.05 H new ATOM 0 HA3 GLY A 35 2.998 -19.560 -1.145 1.00 3.05 H new ATOM 515 N LEU A 36 2.106 -18.001 1.308 1.00 63.23 N ATOM 516 CA LEU A 36 2.318 -17.650 2.702 1.00 75.02 C ATOM 517 C LEU A 36 1.802 -18.783 3.592 1.00 4.32 C ATOM 518 O LEU A 36 2.323 -19.004 4.684 1.00 31.05 O ATOM 519 CB LEU A 36 1.690 -16.290 3.013 1.00 42.43 C ATOM 520 CG LEU A 36 2.542 -15.065 2.672 1.00 13.23 C ATOM 521 CD1 LEU A 36 1.661 -13.849 2.378 1.00 33.12 C ATOM 522 CD2 LEU A 36 3.560 -14.781 3.778 1.00 1.43 C ATOM 0 H LEU A 36 1.791 -17.231 0.717 1.00 63.23 H new ATOM 0 HA LEU A 36 3.382 -17.539 2.910 1.00 75.02 H new ATOM 0 HB2 LEU A 36 0.747 -16.215 2.471 1.00 42.43 H new ATOM 0 HB3 LEU A 36 1.450 -16.257 4.076 1.00 42.43 H new ATOM 0 HG LEU A 36 3.105 -15.282 1.764 1.00 13.23 H new ATOM 0 HD11 LEU A 36 2.291 -12.992 2.139 1.00 33.12 H new ATOM 0 HD12 LEU A 36 1.009 -14.068 1.532 1.00 33.12 H new ATOM 0 HD13 LEU A 36 1.054 -13.619 3.254 1.00 33.12 H new ATOM 0 HD21 LEU A 36 4.153 -13.906 3.511 1.00 1.43 H new ATOM 0 HD22 LEU A 36 3.036 -14.592 4.715 1.00 1.43 H new ATOM 0 HD23 LEU A 36 4.218 -15.642 3.897 1.00 1.43 H new ATOM 534 N SER A 37 0.786 -19.470 3.092 1.00 1.11 N ATOM 535 CA SER A 37 0.195 -20.574 3.829 1.00 72.25 C ATOM 536 C SER A 37 1.183 -21.740 3.906 1.00 74.12 C ATOM 537 O SER A 37 1.251 -22.562 2.993 1.00 2.21 O ATOM 538 CB SER A 37 -1.114 -21.030 3.181 1.00 13.30 C ATOM 539 OG SER A 37 -1.889 -21.844 4.058 1.00 43.32 O ATOM 0 H SER A 37 0.357 -19.284 2.186 1.00 1.11 H new ATOM 0 HA SER A 37 -0.031 -20.230 4.838 1.00 72.25 H new ATOM 0 HB2 SER A 37 -1.697 -20.157 2.887 1.00 13.30 H new ATOM 0 HB3 SER A 37 -0.893 -21.587 2.270 1.00 13.30 H new ATOM 0 HG SER A 37 -2.717 -22.113 3.608 1.00 43.32 H new ATOM 545 N GLY A 38 1.923 -21.775 5.004 1.00 40.31 N ATOM 546 CA GLY A 38 2.904 -22.826 5.212 1.00 31.33 C ATOM 547 C GLY A 38 4.328 -22.279 5.095 1.00 51.10 C ATOM 548 O GLY A 38 5.296 -23.002 5.325 1.00 73.42 O ATOM 0 H GLY A 38 1.863 -21.092 5.759 1.00 40.31 H new ATOM 0 HA2 GLY A 38 2.762 -23.271 6.197 1.00 31.33 H new ATOM 0 HA3 GLY A 38 2.754 -23.619 4.479 1.00 31.33 H new ATOM 552 N LYS A 39 4.411 -21.006 4.737 1.00 13.15 N ATOM 553 CA LYS A 39 5.700 -20.353 4.587 1.00 62.21 C ATOM 554 C LYS A 39 6.498 -20.504 5.884 1.00 70.44 C ATOM 555 O LYS A 39 6.029 -21.126 6.836 1.00 4.20 O ATOM 556 CB LYS A 39 5.517 -18.900 4.143 1.00 32.44 C ATOM 557 CG LYS A 39 5.487 -18.792 2.617 1.00 33.55 C ATOM 558 CD LYS A 39 6.769 -19.356 2.003 1.00 62.54 C ATOM 559 CE LYS A 39 7.118 -18.631 0.701 1.00 22.43 C ATOM 560 NZ LYS A 39 8.096 -19.418 -0.084 1.00 54.20 N ATOM 0 H LYS A 39 3.606 -20.409 4.546 1.00 13.15 H new ATOM 0 HA LYS A 39 6.280 -20.832 3.798 1.00 62.21 H new ATOM 0 HB2 LYS A 39 4.590 -18.503 4.557 1.00 32.44 H new ATOM 0 HB3 LYS A 39 6.329 -18.290 4.538 1.00 32.44 H new ATOM 0 HG2 LYS A 39 4.624 -19.333 2.227 1.00 33.55 H new ATOM 0 HG3 LYS A 39 5.368 -17.749 2.325 1.00 33.55 H new ATOM 0 HD2 LYS A 39 7.591 -19.255 2.712 1.00 62.54 H new ATOM 0 HD3 LYS A 39 6.645 -20.421 1.808 1.00 62.54 H new ATOM 0 HE2 LYS A 39 6.214 -18.472 0.113 1.00 22.43 H new ATOM 0 HE3 LYS A 39 7.530 -17.647 0.925 1.00 22.43 H new ATOM 0 HZ1 LYS A 39 8.322 -18.912 -0.964 1.00 54.20 H new ATOM 0 HZ2 LYS A 39 8.964 -19.548 0.473 1.00 54.20 H new ATOM 0 HZ3 LYS A 39 7.690 -20.347 -0.313 1.00 54.20 H new ATOM 573 N SER A 40 7.690 -19.925 5.879 1.00 73.45 N ATOM 574 CA SER A 40 8.557 -19.988 7.043 1.00 41.04 C ATOM 575 C SER A 40 8.091 -18.982 8.097 1.00 43.31 C ATOM 576 O SER A 40 7.678 -17.873 7.762 1.00 45.51 O ATOM 577 CB SER A 40 10.014 -19.719 6.659 1.00 34.12 C ATOM 578 OG SER A 40 10.916 -20.572 7.358 1.00 31.33 O ATOM 0 H SER A 40 8.075 -19.410 5.087 1.00 73.45 H new ATOM 0 HA SER A 40 8.499 -20.994 7.459 1.00 41.04 H new ATOM 0 HB2 SER A 40 10.138 -19.862 5.586 1.00 34.12 H new ATOM 0 HB3 SER A 40 10.259 -18.679 6.873 1.00 34.12 H new ATOM 0 HG SER A 40 11.835 -20.371 7.084 1.00 31.33 H new ATOM 584 N THR A 41 8.173 -19.405 9.350 1.00 64.04 N ATOM 585 CA THR A 41 7.765 -18.555 10.455 1.00 4.21 C ATOM 586 C THR A 41 8.614 -17.282 10.490 1.00 30.35 C ATOM 587 O THR A 41 8.222 -16.287 11.098 1.00 52.05 O ATOM 588 CB THR A 41 7.851 -19.378 11.742 1.00 64.44 C ATOM 589 OG1 THR A 41 6.638 -20.126 11.757 1.00 2.42 O ATOM 590 CG2 THR A 41 7.771 -18.510 12.999 1.00 35.41 C ATOM 0 H THR A 41 8.516 -20.326 9.624 1.00 64.04 H new ATOM 0 HA THR A 41 6.735 -18.219 10.336 1.00 4.21 H new ATOM 0 HB THR A 41 8.784 -19.942 11.751 1.00 64.44 H new ATOM 0 HG1 THR A 41 6.370 -20.296 12.684 1.00 2.42 H new ATOM 0 HG21 THR A 41 7.837 -19.144 13.883 1.00 35.41 H new ATOM 0 HG22 THR A 41 8.595 -17.797 13.002 1.00 35.41 H new ATOM 0 HG23 THR A 41 6.824 -17.970 13.009 1.00 35.41 H new ATOM 598 N ASP A 42 9.761 -17.356 9.832 1.00 42.11 N ATOM 599 CA ASP A 42 10.669 -16.222 9.780 1.00 33.23 C ATOM 600 C ASP A 42 10.093 -15.156 8.847 1.00 54.42 C ATOM 601 O ASP A 42 9.828 -14.032 9.271 1.00 11.30 O ATOM 602 CB ASP A 42 12.037 -16.637 9.237 1.00 45.41 C ATOM 603 CG ASP A 42 12.864 -17.521 10.173 1.00 71.03 C ATOM 604 OD1 ASP A 42 13.806 -18.202 9.741 1.00 31.22 O ATOM 605 OD2 ASP A 42 12.502 -17.493 11.411 1.00 53.15 O ATOM 0 H ASP A 42 10.083 -18.184 9.330 1.00 42.11 H new ATOM 0 HA ASP A 42 10.785 -15.836 10.793 1.00 33.23 H new ATOM 0 HB2 ASP A 42 11.892 -17.167 8.296 1.00 45.41 H new ATOM 0 HB3 ASP A 42 12.610 -15.737 9.011 1.00 45.41 H new ATOM 611 N GLU A 43 9.915 -15.545 7.593 1.00 25.40 N ATOM 612 CA GLU A 43 9.376 -14.637 6.596 1.00 53.41 C ATOM 613 C GLU A 43 7.987 -14.152 7.016 1.00 35.10 C ATOM 614 O GLU A 43 7.678 -12.967 6.901 1.00 13.04 O ATOM 615 CB GLU A 43 9.332 -15.299 5.217 1.00 14.33 C ATOM 616 CG GLU A 43 8.067 -16.144 5.055 1.00 32.12 C ATOM 617 CD GLU A 43 8.003 -16.774 3.662 1.00 1.12 C ATOM 618 OE1 GLU A 43 8.879 -17.574 3.303 1.00 25.31 O ATOM 619 OE2 GLU A 43 6.998 -16.406 2.943 1.00 53.32 O ATOM 0 H GLU A 43 10.135 -16.478 7.245 1.00 25.40 H new ATOM 0 HA GLU A 43 10.036 -13.772 6.526 1.00 53.41 H new ATOM 0 HB2 GLU A 43 9.365 -14.534 4.441 1.00 14.33 H new ATOM 0 HB3 GLU A 43 10.213 -15.927 5.083 1.00 14.33 H new ATOM 0 HG2 GLU A 43 8.049 -16.927 5.813 1.00 32.12 H new ATOM 0 HG3 GLU A 43 7.187 -15.522 5.218 1.00 32.12 H new ATOM 627 N VAL A 44 7.186 -15.093 7.494 1.00 71.42 N ATOM 628 CA VAL A 44 5.837 -14.777 7.932 1.00 71.24 C ATOM 629 C VAL A 44 5.864 -13.498 8.771 1.00 63.04 C ATOM 630 O VAL A 44 4.986 -12.647 8.641 1.00 74.24 O ATOM 631 CB VAL A 44 5.236 -15.970 8.679 1.00 43.41 C ATOM 632 CG1 VAL A 44 3.900 -15.596 9.323 1.00 74.12 C ATOM 633 CG2 VAL A 44 5.080 -17.176 7.751 1.00 50.10 C ATOM 0 H VAL A 44 7.446 -16.075 7.588 1.00 71.42 H new ATOM 0 HA VAL A 44 5.191 -14.589 7.074 1.00 71.24 H new ATOM 0 HB VAL A 44 5.925 -16.249 9.476 1.00 43.41 H new ATOM 0 HG11 VAL A 44 3.494 -16.461 9.847 1.00 74.12 H new ATOM 0 HG12 VAL A 44 4.053 -14.781 10.031 1.00 74.12 H new ATOM 0 HG13 VAL A 44 3.200 -15.279 8.550 1.00 74.12 H new ATOM 0 HG21 VAL A 44 4.651 -18.010 8.307 1.00 50.10 H new ATOM 0 HG22 VAL A 44 4.421 -16.915 6.923 1.00 50.10 H new ATOM 0 HG23 VAL A 44 6.056 -17.464 7.361 1.00 50.10 H new ATOM 643 N LYS A 45 6.883 -13.402 9.613 1.00 73.53 N ATOM 644 CA LYS A 45 7.036 -12.241 10.473 1.00 62.42 C ATOM 645 C LYS A 45 7.382 -11.021 9.618 1.00 50.24 C ATOM 646 O LYS A 45 6.866 -9.929 9.851 1.00 4.31 O ATOM 647 CB LYS A 45 8.054 -12.525 11.579 1.00 32.35 C ATOM 648 CG LYS A 45 7.651 -13.758 12.391 1.00 23.05 C ATOM 649 CD LYS A 45 8.877 -14.427 13.016 1.00 62.50 C ATOM 650 CE LYS A 45 8.462 -15.489 14.036 1.00 31.32 C ATOM 651 NZ LYS A 45 8.289 -14.882 15.375 1.00 62.21 N ATOM 0 H LYS A 45 7.610 -14.109 9.718 1.00 73.53 H new ATOM 0 HA LYS A 45 6.099 -12.018 10.983 1.00 62.42 H new ATOM 0 HB2 LYS A 45 9.040 -12.680 11.140 1.00 32.35 H new ATOM 0 HB3 LYS A 45 8.131 -11.660 12.238 1.00 32.35 H new ATOM 0 HG2 LYS A 45 6.951 -13.469 13.175 1.00 23.05 H new ATOM 0 HG3 LYS A 45 7.133 -14.469 11.747 1.00 23.05 H new ATOM 0 HD2 LYS A 45 9.483 -14.885 12.235 1.00 62.50 H new ATOM 0 HD3 LYS A 45 9.498 -13.675 13.502 1.00 62.50 H new ATOM 0 HE2 LYS A 45 7.531 -15.960 13.721 1.00 31.32 H new ATOM 0 HE3 LYS A 45 9.217 -16.274 14.081 1.00 31.32 H new ATOM 0 HZ1 LYS A 45 8.007 -15.616 16.055 1.00 62.21 H new ATOM 0 HZ2 LYS A 45 9.186 -14.453 15.680 1.00 62.21 H new ATOM 0 HZ3 LYS A 45 7.552 -14.149 15.332 1.00 62.21 H new ATOM 664 N LYS A 46 8.252 -11.247 8.645 1.00 65.12 N ATOM 665 CA LYS A 46 8.673 -10.179 7.754 1.00 62.34 C ATOM 666 C LYS A 46 7.481 -9.727 6.909 1.00 52.35 C ATOM 667 O LYS A 46 7.474 -8.615 6.383 1.00 44.32 O ATOM 668 CB LYS A 46 9.883 -10.618 6.926 1.00 53.14 C ATOM 669 CG LYS A 46 10.895 -11.371 7.791 1.00 64.13 C ATOM 670 CD LYS A 46 11.119 -10.653 9.123 1.00 22.53 C ATOM 671 CE LYS A 46 11.528 -9.196 8.899 1.00 22.33 C ATOM 672 NZ LYS A 46 11.403 -8.424 10.156 1.00 54.25 N ATOM 0 H LYS A 46 8.677 -12.154 8.454 1.00 65.12 H new ATOM 0 HA LYS A 46 9.005 -9.313 8.327 1.00 62.34 H new ATOM 0 HB2 LYS A 46 9.555 -11.256 6.106 1.00 53.14 H new ATOM 0 HB3 LYS A 46 10.359 -9.745 6.480 1.00 53.14 H new ATOM 0 HG2 LYS A 46 10.538 -12.384 7.975 1.00 64.13 H new ATOM 0 HG3 LYS A 46 11.841 -11.458 7.257 1.00 64.13 H new ATOM 0 HD2 LYS A 46 10.207 -10.691 9.718 1.00 22.53 H new ATOM 0 HD3 LYS A 46 11.893 -11.168 9.692 1.00 22.53 H new ATOM 0 HE2 LYS A 46 12.556 -9.152 8.539 1.00 22.33 H new ATOM 0 HE3 LYS A 46 10.900 -8.750 8.127 1.00 22.33 H new ATOM 0 HZ1 LYS A 46 11.684 -7.437 9.987 1.00 54.25 H new ATOM 0 HZ2 LYS A 46 10.416 -8.451 10.484 1.00 54.25 H new ATOM 0 HZ3 LYS A 46 12.020 -8.840 10.882 1.00 54.25 H new ATOM 685 N ALA A 47 6.500 -10.612 6.804 1.00 4.32 N ATOM 686 CA ALA A 47 5.305 -10.317 6.032 1.00 63.21 C ATOM 687 C ALA A 47 4.314 -9.548 6.908 1.00 61.14 C ATOM 688 O ALA A 47 3.611 -8.662 6.424 1.00 4.35 O ATOM 689 CB ALA A 47 4.715 -11.620 5.488 1.00 14.34 C ATOM 0 H ALA A 47 6.509 -11.534 7.241 1.00 4.32 H new ATOM 0 HA ALA A 47 5.546 -9.686 5.176 1.00 63.21 H new ATOM 0 HB1 ALA A 47 3.818 -11.399 4.909 1.00 14.34 H new ATOM 0 HB2 ALA A 47 5.448 -12.112 4.849 1.00 14.34 H new ATOM 0 HB3 ALA A 47 4.458 -12.278 6.318 1.00 14.34 H new ATOM 695 N PHE A 48 4.289 -9.915 8.180 1.00 23.53 N ATOM 696 CA PHE A 48 3.396 -9.271 9.128 1.00 72.11 C ATOM 697 C PHE A 48 3.784 -7.806 9.338 1.00 32.14 C ATOM 698 O PHE A 48 2.967 -7.002 9.783 1.00 15.42 O ATOM 699 CB PHE A 48 3.536 -10.019 10.455 1.00 65.30 C ATOM 700 CG PHE A 48 2.999 -9.249 11.663 1.00 25.53 C ATOM 701 CD1 PHE A 48 3.775 -8.312 12.272 1.00 53.05 C ATOM 702 CD2 PHE A 48 1.747 -9.503 12.129 1.00 1.31 C ATOM 703 CE1 PHE A 48 3.276 -7.598 13.393 1.00 44.41 C ATOM 704 CE2 PHE A 48 1.249 -8.788 13.251 1.00 72.24 C ATOM 705 CZ PHE A 48 2.024 -7.851 13.859 1.00 50.31 C ATOM 0 H PHE A 48 4.873 -10.651 8.577 1.00 23.53 H new ATOM 0 HA PHE A 48 2.373 -9.298 8.753 1.00 72.11 H new ATOM 0 HB2 PHE A 48 3.010 -10.971 10.381 1.00 65.30 H new ATOM 0 HB3 PHE A 48 4.588 -10.248 10.622 1.00 65.30 H new ATOM 0 HD1 PHE A 48 4.770 -8.112 11.903 1.00 53.05 H new ATOM 0 HD2 PHE A 48 1.132 -10.248 11.646 1.00 1.31 H new ATOM 0 HE1 PHE A 48 3.891 -6.853 13.876 1.00 44.41 H new ATOM 0 HE2 PHE A 48 0.254 -8.989 13.621 1.00 72.24 H new ATOM 0 HZ PHE A 48 1.645 -7.308 14.712 1.00 50.31 H new ATOM 715 N ALA A 49 5.031 -7.504 9.009 1.00 60.32 N ATOM 716 CA ALA A 49 5.537 -6.150 9.156 1.00 23.31 C ATOM 717 C ALA A 49 5.198 -5.344 7.901 1.00 72.11 C ATOM 718 O ALA A 49 5.419 -4.135 7.857 1.00 55.21 O ATOM 719 CB ALA A 49 7.042 -6.195 9.431 1.00 14.34 C ATOM 0 H ALA A 49 5.706 -8.174 8.641 1.00 60.32 H new ATOM 0 HA ALA A 49 5.065 -5.654 10.004 1.00 23.31 H new ATOM 0 HB1 ALA A 49 7.422 -5.179 9.541 1.00 14.34 H new ATOM 0 HB2 ALA A 49 7.228 -6.754 10.348 1.00 14.34 H new ATOM 0 HB3 ALA A 49 7.549 -6.684 8.599 1.00 14.34 H new ATOM 725 N ILE A 50 4.666 -6.046 6.911 1.00 24.41 N ATOM 726 CA ILE A 50 4.294 -5.411 5.658 1.00 23.23 C ATOM 727 C ILE A 50 3.021 -4.590 5.867 1.00 55.42 C ATOM 728 O ILE A 50 2.977 -3.408 5.528 1.00 5.24 O ATOM 729 CB ILE A 50 4.179 -6.452 4.543 1.00 31.32 C ATOM 730 CG1 ILE A 50 5.483 -7.238 4.390 1.00 52.05 C ATOM 731 CG2 ILE A 50 3.743 -5.802 3.229 1.00 43.34 C ATOM 732 CD1 ILE A 50 6.515 -6.437 3.592 1.00 35.52 C ATOM 0 H ILE A 50 4.484 -7.049 6.951 1.00 24.41 H new ATOM 0 HA ILE A 50 5.071 -4.718 5.336 1.00 23.23 H new ATOM 0 HB ILE A 50 3.404 -7.166 4.821 1.00 31.32 H new ATOM 0 HG12 ILE A 50 5.885 -7.478 5.374 1.00 52.05 H new ATOM 0 HG13 ILE A 50 5.285 -8.185 3.888 1.00 52.05 H new ATOM 0 HG21 ILE A 50 3.669 -6.564 2.453 1.00 43.34 H new ATOM 0 HG22 ILE A 50 2.772 -5.326 3.363 1.00 43.34 H new ATOM 0 HG23 ILE A 50 4.477 -5.053 2.933 1.00 43.34 H new ATOM 0 HD11 ILE A 50 7.433 -7.018 3.498 1.00 35.52 H new ATOM 0 HD12 ILE A 50 6.119 -6.220 2.600 1.00 35.52 H new ATOM 0 HD13 ILE A 50 6.729 -5.502 4.110 1.00 35.52 H new ATOM 744 N ILE A 51 2.014 -5.248 6.423 1.00 63.01 N ATOM 745 CA ILE A 51 0.743 -4.593 6.681 1.00 71.44 C ATOM 746 C ILE A 51 0.950 -3.469 7.697 1.00 40.42 C ATOM 747 O ILE A 51 0.558 -2.328 7.454 1.00 23.13 O ATOM 748 CB ILE A 51 -0.311 -5.618 7.104 1.00 74.32 C ATOM 749 CG1 ILE A 51 -0.170 -6.913 6.301 1.00 34.33 C ATOM 750 CG2 ILE A 51 -1.720 -5.030 7.000 1.00 31.34 C ATOM 751 CD1 ILE A 51 0.200 -8.085 7.212 1.00 32.44 C ATOM 0 H ILE A 51 2.053 -6.228 6.702 1.00 63.01 H new ATOM 0 HA ILE A 51 0.360 -4.133 5.770 1.00 71.44 H new ATOM 0 HB ILE A 51 -0.143 -5.869 8.151 1.00 74.32 H new ATOM 0 HG12 ILE A 51 -1.106 -7.129 5.786 1.00 34.33 H new ATOM 0 HG13 ILE A 51 0.595 -6.788 5.534 1.00 34.33 H new ATOM 0 HG21 ILE A 51 -2.450 -5.779 7.306 1.00 31.34 H new ATOM 0 HG22 ILE A 51 -1.799 -4.159 7.650 1.00 31.34 H new ATOM 0 HG23 ILE A 51 -1.915 -4.733 5.970 1.00 31.34 H new ATOM 0 HD11 ILE A 51 0.294 -8.993 6.617 1.00 32.44 H new ATOM 0 HD12 ILE A 51 1.148 -7.876 7.707 1.00 32.44 H new ATOM 0 HD13 ILE A 51 -0.578 -8.222 7.963 1.00 32.44 H new ATOM 763 N ASP A 52 1.565 -3.829 8.813 1.00 24.24 N ATOM 764 CA ASP A 52 1.829 -2.865 9.867 1.00 3.55 C ATOM 765 C ASP A 52 2.262 -1.537 9.242 1.00 62.25 C ATOM 766 O ASP A 52 3.399 -1.400 8.792 1.00 31.31 O ATOM 767 CB ASP A 52 2.956 -3.345 10.784 1.00 43.20 C ATOM 768 CG ASP A 52 2.626 -4.582 11.622 1.00 52.51 C ATOM 769 OD1 ASP A 52 1.572 -4.650 12.272 1.00 51.32 O ATOM 770 OD2 ASP A 52 3.515 -5.515 11.590 1.00 25.13 O ATOM 0 H ASP A 52 1.888 -4.776 9.011 1.00 24.24 H new ATOM 0 HA ASP A 52 0.916 -2.746 10.450 1.00 3.55 H new ATOM 0 HB2 ASP A 52 3.833 -3.561 10.174 1.00 43.20 H new ATOM 0 HB3 ASP A 52 3.228 -2.531 11.456 1.00 43.20 H new ATOM 776 N GLN A 53 1.333 -0.593 9.232 1.00 32.13 N ATOM 777 CA GLN A 53 1.604 0.719 8.669 1.00 71.41 C ATOM 778 C GLN A 53 2.059 1.683 9.765 1.00 3.55 C ATOM 779 O GLN A 53 2.760 2.654 9.559 1.00 44.41 O ATOM 780 CB GLN A 53 0.378 1.264 7.933 1.00 20.55 C ATOM 781 CG GLN A 53 -0.292 0.170 7.099 1.00 21.00 C ATOM 782 CD GLN A 53 -1.363 0.760 6.180 1.00 41.53 C ATOM 783 OE1 GLN A 53 -1.084 1.273 5.108 1.00 11.54 O ATOM 784 NE2 GLN A 53 -2.600 0.660 6.656 1.00 35.34 N ATOM 0 H GLN A 53 0.391 -0.710 9.605 1.00 32.13 H new ATOM 0 HA GLN A 53 2.410 0.621 7.941 1.00 71.41 H new ATOM 0 HB2 GLN A 53 -0.335 1.665 8.654 1.00 20.55 H new ATOM 0 HB3 GLN A 53 0.675 2.089 7.286 1.00 20.55 H new ATOM 0 HG2 GLN A 53 0.459 -0.349 6.503 1.00 21.00 H new ATOM 0 HG3 GLN A 53 -0.742 -0.571 7.759 1.00 21.00 H new ATOM 0 HE21 GLN A 53 -2.764 0.219 7.561 1.00 35.34 H new ATOM 0 HE22 GLN A 53 -3.385 1.024 6.116 1.00 35.34 H new ATOM 793 N ASP A 54 1.638 1.393 10.965 1.00 23.33 N ATOM 794 CA ASP A 54 2.019 2.253 12.121 1.00 33.11 C ATOM 795 C ASP A 54 2.956 1.485 13.059 1.00 42.20 C ATOM 796 O ASP A 54 3.498 2.110 13.969 1.00 45.30 O ATOM 797 CB ASP A 54 0.700 2.575 12.825 1.00 3.14 C ATOM 798 CG ASP A 54 0.126 1.300 13.444 1.00 31.14 C ATOM 799 OD1 ASP A 54 -0.794 0.746 12.866 1.00 75.35 O ATOM 800 OD2 ASP A 54 0.614 0.898 14.488 1.00 10.32 O ATOM 0 H ASP A 54 1.045 0.596 11.196 1.00 23.33 H new ATOM 0 HA ASP A 54 2.546 3.156 11.812 1.00 33.11 H new ATOM 0 HB2 ASP A 54 0.862 3.326 13.598 1.00 3.14 H new ATOM 0 HB3 ASP A 54 -0.010 2.998 12.114 1.00 3.14 H new ATOM 805 N LYS A 55 3.123 0.190 12.835 1.00 52.10 N ATOM 806 CA LYS A 55 3.991 -0.610 13.682 1.00 72.31 C ATOM 807 C LYS A 55 3.557 -0.455 15.141 1.00 71.21 C ATOM 808 O LYS A 55 4.363 -0.093 15.997 1.00 73.22 O ATOM 809 CB LYS A 55 5.458 -0.253 13.435 1.00 11.23 C ATOM 810 CG LYS A 55 5.683 0.166 11.981 1.00 1.31 C ATOM 811 CD LYS A 55 5.189 -0.913 11.016 1.00 34.34 C ATOM 812 CE LYS A 55 5.978 -0.881 9.706 1.00 12.11 C ATOM 813 NZ LYS A 55 7.428 -1.007 9.972 1.00 63.25 N ATOM 0 H LYS A 55 2.672 -0.325 12.079 1.00 52.10 H new ATOM 0 HA LYS A 55 3.898 -1.667 13.432 1.00 72.31 H new ATOM 0 HB2 LYS A 55 5.756 0.557 14.101 1.00 11.23 H new ATOM 0 HB3 LYS A 55 6.089 -1.109 13.672 1.00 11.23 H new ATOM 0 HG2 LYS A 55 5.160 1.102 11.784 1.00 1.31 H new ATOM 0 HG3 LYS A 55 6.744 0.351 11.812 1.00 1.31 H new ATOM 0 HD2 LYS A 55 5.288 -1.894 11.480 1.00 34.34 H new ATOM 0 HD3 LYS A 55 4.129 -0.764 10.810 1.00 34.34 H new ATOM 0 HE2 LYS A 55 5.649 -1.692 9.057 1.00 12.11 H new ATOM 0 HE3 LYS A 55 5.779 0.051 9.177 1.00 12.11 H new ATOM 0 HZ1 LYS A 55 7.886 -1.493 9.175 1.00 63.25 H new ATOM 0 HZ2 LYS A 55 7.844 -0.060 10.085 1.00 63.25 H new ATOM 0 HZ3 LYS A 55 7.575 -1.556 10.843 1.00 63.25 H new ATOM 826 N SER A 56 2.284 -0.737 15.380 1.00 44.25 N ATOM 827 CA SER A 56 1.734 -0.633 16.720 1.00 33.11 C ATOM 828 C SER A 56 2.141 -1.853 17.549 1.00 71.01 C ATOM 829 O SER A 56 1.865 -1.915 18.746 1.00 74.11 O ATOM 830 CB SER A 56 0.210 -0.503 16.681 1.00 52.31 C ATOM 831 OG SER A 56 -0.349 -1.121 15.525 1.00 13.11 O ATOM 0 H SER A 56 1.618 -1.037 14.668 1.00 44.25 H new ATOM 0 HA SER A 56 2.137 0.266 17.186 1.00 33.11 H new ATOM 0 HB2 SER A 56 -0.216 -0.957 17.576 1.00 52.31 H new ATOM 0 HB3 SER A 56 -0.064 0.552 16.697 1.00 52.31 H new ATOM 0 HG SER A 56 -1.272 -0.815 15.404 1.00 13.11 H new ATOM 837 N GLY A 57 2.791 -2.793 16.879 1.00 22.12 N ATOM 838 CA GLY A 57 3.239 -4.008 17.539 1.00 43.12 C ATOM 839 C GLY A 57 2.246 -5.150 17.317 1.00 21.52 C ATOM 840 O GLY A 57 2.591 -6.319 17.486 1.00 61.02 O ATOM 0 H GLY A 57 3.018 -2.738 15.886 1.00 22.12 H new ATOM 0 HA2 GLY A 57 4.219 -4.294 17.157 1.00 43.12 H new ATOM 0 HA3 GLY A 57 3.355 -3.824 18.607 1.00 43.12 H new ATOM 844 N PHE A 58 1.033 -4.773 16.943 1.00 54.24 N ATOM 845 CA PHE A 58 -0.013 -5.751 16.696 1.00 20.32 C ATOM 846 C PHE A 58 -0.894 -5.328 15.519 1.00 10.32 C ATOM 847 O PHE A 58 -0.627 -4.317 14.871 1.00 4.13 O ATOM 848 CB PHE A 58 -0.870 -5.818 17.962 1.00 53.04 C ATOM 849 CG PHE A 58 -0.096 -6.222 19.218 1.00 65.34 C ATOM 850 CD1 PHE A 58 -0.341 -7.421 19.811 1.00 23.22 C ATOM 851 CD2 PHE A 58 0.838 -5.383 19.740 1.00 1.03 C ATOM 852 CE1 PHE A 58 0.378 -7.796 20.977 1.00 63.42 C ATOM 853 CE2 PHE A 58 1.557 -5.758 20.906 1.00 61.21 C ATOM 854 CZ PHE A 58 1.312 -6.957 21.500 1.00 71.04 C ATOM 0 H PHE A 58 0.750 -3.803 16.805 1.00 54.24 H new ATOM 0 HA PHE A 58 0.431 -6.717 16.453 1.00 20.32 H new ATOM 0 HB2 PHE A 58 -1.330 -4.844 18.129 1.00 53.04 H new ATOM 0 HB3 PHE A 58 -1.680 -6.530 17.803 1.00 53.04 H new ATOM 0 HD1 PHE A 58 -1.082 -8.088 19.395 1.00 23.22 H new ATOM 0 HD2 PHE A 58 1.033 -4.431 19.268 1.00 1.03 H new ATOM 0 HE1 PHE A 58 0.183 -8.748 21.449 1.00 63.42 H new ATOM 0 HE2 PHE A 58 2.298 -5.091 21.321 1.00 61.21 H new ATOM 0 HZ PHE A 58 1.859 -7.243 22.386 1.00 71.04 H new ATOM 864 N ILE A 59 -1.927 -6.122 15.279 1.00 63.05 N ATOM 865 CA ILE A 59 -2.849 -5.842 14.191 1.00 62.01 C ATOM 866 C ILE A 59 -4.283 -5.879 14.722 1.00 72.32 C ATOM 867 O ILE A 59 -5.005 -6.851 14.504 1.00 65.51 O ATOM 868 CB ILE A 59 -2.601 -6.795 13.020 1.00 34.30 C ATOM 869 CG1 ILE A 59 -1.225 -6.553 12.397 1.00 53.43 C ATOM 870 CG2 ILE A 59 -3.725 -6.696 11.986 1.00 64.32 C ATOM 871 CD1 ILE A 59 -0.946 -7.556 11.276 1.00 74.02 C ATOM 0 H ILE A 59 -2.146 -6.959 15.819 1.00 63.05 H new ATOM 0 HA ILE A 59 -2.681 -4.840 13.797 1.00 62.01 H new ATOM 0 HB ILE A 59 -2.605 -7.815 13.403 1.00 34.30 H new ATOM 0 HG12 ILE A 59 -1.174 -5.538 12.003 1.00 53.43 H new ATOM 0 HG13 ILE A 59 -0.455 -6.636 13.164 1.00 53.43 H new ATOM 0 HG21 ILE A 59 -3.525 -7.383 11.164 1.00 64.32 H new ATOM 0 HG22 ILE A 59 -4.674 -6.957 12.454 1.00 64.32 H new ATOM 0 HG23 ILE A 59 -3.778 -5.677 11.602 1.00 64.32 H new ATOM 0 HD11 ILE A 59 0.038 -7.361 10.850 1.00 74.02 H new ATOM 0 HD12 ILE A 59 -0.974 -8.569 11.679 1.00 74.02 H new ATOM 0 HD13 ILE A 59 -1.704 -7.454 10.499 1.00 74.02 H new ATOM 883 N GLU A 60 -4.654 -4.809 15.408 1.00 11.45 N ATOM 884 CA GLU A 60 -5.989 -4.707 15.972 1.00 14.42 C ATOM 885 C GLU A 60 -7.043 -4.918 14.883 1.00 0.30 C ATOM 886 O GLU A 60 -6.770 -4.711 13.702 1.00 64.13 O ATOM 887 CB GLU A 60 -6.187 -3.361 16.673 1.00 34.11 C ATOM 888 CG GLU A 60 -5.217 -3.206 17.846 1.00 42.44 C ATOM 889 CD GLU A 60 -3.919 -2.531 17.397 1.00 1.12 C ATOM 890 OE1 GLU A 60 -3.882 -1.302 17.237 1.00 13.20 O ATOM 891 OE2 GLU A 60 -2.923 -3.331 17.215 1.00 13.20 O ATOM 0 H GLU A 60 -4.053 -4.004 15.586 1.00 11.45 H new ATOM 0 HA GLU A 60 -6.106 -5.490 16.721 1.00 14.42 H new ATOM 0 HB2 GLU A 60 -6.035 -2.550 15.961 1.00 34.11 H new ATOM 0 HB3 GLU A 60 -7.213 -3.281 17.032 1.00 34.11 H new ATOM 0 HG2 GLU A 60 -5.685 -2.616 18.634 1.00 42.44 H new ATOM 0 HG3 GLU A 60 -4.994 -4.185 18.271 1.00 42.44 H new ATOM 899 N GLU A 61 -8.225 -5.326 15.319 1.00 33.52 N ATOM 900 CA GLU A 61 -9.321 -5.568 14.396 1.00 12.21 C ATOM 901 C GLU A 61 -9.446 -4.408 13.405 1.00 23.45 C ATOM 902 O GLU A 61 -9.788 -4.615 12.242 1.00 32.23 O ATOM 903 CB GLU A 61 -10.634 -5.789 15.149 1.00 13.45 C ATOM 904 CG GLU A 61 -11.799 -5.984 14.176 1.00 24.33 C ATOM 905 CD GLU A 61 -13.139 -5.725 14.867 1.00 74.45 C ATOM 906 OE1 GLU A 61 -14.029 -6.588 14.835 1.00 35.13 O ATOM 907 OE2 GLU A 61 -13.239 -4.580 15.452 1.00 71.12 O ATOM 0 H GLU A 61 -8.448 -5.495 16.300 1.00 33.52 H new ATOM 0 HA GLU A 61 -9.104 -6.478 13.836 1.00 12.21 H new ATOM 0 HB2 GLU A 61 -10.544 -6.663 15.794 1.00 13.45 H new ATOM 0 HB3 GLU A 61 -10.835 -4.935 15.795 1.00 13.45 H new ATOM 0 HG2 GLU A 61 -11.686 -5.308 13.328 1.00 24.33 H new ATOM 0 HG3 GLU A 61 -11.780 -6.999 13.779 1.00 24.33 H new ATOM 915 N GLU A 62 -9.161 -3.214 13.903 1.00 40.21 N ATOM 916 CA GLU A 62 -9.237 -2.021 13.076 1.00 21.40 C ATOM 917 C GLU A 62 -8.221 -2.101 11.935 1.00 72.44 C ATOM 918 O GLU A 62 -8.505 -1.676 10.816 1.00 44.21 O ATOM 919 CB GLU A 62 -9.022 -0.759 13.913 1.00 33.04 C ATOM 920 CG GLU A 62 -9.823 -0.822 15.216 1.00 63.32 C ATOM 921 CD GLU A 62 -8.917 -1.170 16.399 1.00 13.43 C ATOM 922 OE1 GLU A 62 -8.006 -0.396 16.731 1.00 74.42 O ATOM 923 OE2 GLU A 62 -9.188 -2.288 16.983 1.00 42.20 O ATOM 0 H GLU A 62 -8.877 -3.047 14.868 1.00 40.21 H new ATOM 0 HA GLU A 62 -10.236 -1.965 12.644 1.00 21.40 H new ATOM 0 HB2 GLU A 62 -7.962 -0.644 14.139 1.00 33.04 H new ATOM 0 HB3 GLU A 62 -9.322 0.118 13.339 1.00 33.04 H new ATOM 0 HG2 GLU A 62 -10.309 0.137 15.395 1.00 63.32 H new ATOM 0 HG3 GLU A 62 -10.613 -1.568 15.126 1.00 63.32 H new ATOM 931 N GLU A 63 -7.059 -2.650 12.257 1.00 40.14 N ATOM 932 CA GLU A 63 -6.000 -2.791 11.272 1.00 23.11 C ATOM 933 C GLU A 63 -6.216 -4.055 10.437 1.00 22.14 C ATOM 934 O GLU A 63 -5.772 -4.131 9.293 1.00 52.43 O ATOM 935 CB GLU A 63 -4.625 -2.806 11.944 1.00 72.12 C ATOM 936 CG GLU A 63 -4.310 -1.450 12.579 1.00 73.14 C ATOM 937 CD GLU A 63 -2.800 -1.249 12.721 1.00 12.13 C ATOM 938 OE1 GLU A 63 -2.344 -1.185 13.883 1.00 4.22 O ATOM 939 OE2 GLU A 63 -2.137 -1.164 11.665 1.00 23.13 O ATOM 0 H GLU A 63 -6.828 -3.002 13.186 1.00 40.14 H new ATOM 0 HA GLU A 63 -6.033 -1.929 10.606 1.00 23.11 H new ATOM 0 HB2 GLU A 63 -4.598 -3.584 12.707 1.00 72.12 H new ATOM 0 HB3 GLU A 63 -3.860 -3.054 11.209 1.00 72.12 H new ATOM 0 HG2 GLU A 63 -4.731 -0.652 11.968 1.00 73.14 H new ATOM 0 HG3 GLU A 63 -4.783 -1.385 13.559 1.00 73.14 H new ATOM 946 N LEU A 64 -6.897 -5.016 11.043 1.00 34.31 N ATOM 947 CA LEU A 64 -7.178 -6.273 10.370 1.00 23.20 C ATOM 948 C LEU A 64 -7.833 -5.987 9.018 1.00 74.35 C ATOM 949 O LEU A 64 -7.386 -6.491 7.988 1.00 14.12 O ATOM 950 CB LEU A 64 -8.004 -7.191 11.272 1.00 34.44 C ATOM 951 CG LEU A 64 -7.210 -8.137 12.175 1.00 62.50 C ATOM 952 CD1 LEU A 64 -8.123 -8.814 13.199 1.00 1.35 C ATOM 953 CD2 LEU A 64 -6.425 -9.156 11.346 1.00 73.31 C ATOM 0 H LEU A 64 -7.263 -4.950 11.993 1.00 34.31 H new ATOM 0 HA LEU A 64 -6.252 -6.812 10.168 1.00 23.20 H new ATOM 0 HB2 LEU A 64 -8.642 -6.571 11.901 1.00 34.44 H new ATOM 0 HB3 LEU A 64 -8.662 -7.789 10.642 1.00 34.44 H new ATOM 0 HG LEU A 64 -6.483 -7.546 12.733 1.00 62.50 H new ATOM 0 HD11 LEU A 64 -7.533 -9.481 13.828 1.00 1.35 H new ATOM 0 HD12 LEU A 64 -8.598 -8.055 13.821 1.00 1.35 H new ATOM 0 HD13 LEU A 64 -8.889 -9.389 12.679 1.00 1.35 H new ATOM 0 HD21 LEU A 64 -5.869 -9.816 12.012 1.00 73.31 H new ATOM 0 HD22 LEU A 64 -7.117 -9.746 10.744 1.00 73.31 H new ATOM 0 HD23 LEU A 64 -5.729 -8.633 10.690 1.00 73.31 H new ATOM 965 N LYS A 65 -8.883 -5.180 9.064 1.00 42.14 N ATOM 966 CA LYS A 65 -9.605 -4.821 7.855 1.00 45.14 C ATOM 967 C LYS A 65 -8.635 -4.181 6.858 1.00 34.33 C ATOM 968 O LYS A 65 -8.927 -4.104 5.666 1.00 62.23 O ATOM 969 CB LYS A 65 -10.810 -3.941 8.192 1.00 41.25 C ATOM 970 CG LYS A 65 -10.425 -2.460 8.191 1.00 22.02 C ATOM 971 CD LYS A 65 -11.656 -1.573 8.391 1.00 25.42 C ATOM 972 CE LYS A 65 -12.258 -1.777 9.783 1.00 44.11 C ATOM 973 NZ LYS A 65 -11.363 -1.219 10.821 1.00 3.13 N ATOM 0 H LYS A 65 -9.251 -4.765 9.920 1.00 42.14 H new ATOM 0 HA LYS A 65 -10.014 -5.711 7.377 1.00 45.14 H new ATOM 0 HB2 LYS A 65 -11.605 -4.114 7.467 1.00 41.25 H new ATOM 0 HB3 LYS A 65 -11.204 -4.217 9.170 1.00 41.25 H new ATOM 0 HG2 LYS A 65 -9.702 -2.268 8.983 1.00 22.02 H new ATOM 0 HG3 LYS A 65 -9.940 -2.207 7.248 1.00 22.02 H new ATOM 0 HD2 LYS A 65 -11.380 -0.527 8.260 1.00 25.42 H new ATOM 0 HD3 LYS A 65 -12.402 -1.803 7.631 1.00 25.42 H new ATOM 0 HE2 LYS A 65 -13.234 -1.294 9.838 1.00 44.11 H new ATOM 0 HE3 LYS A 65 -12.417 -2.840 9.965 1.00 44.11 H new ATOM 0 HZ1 LYS A 65 -11.735 -1.455 11.763 1.00 3.13 H new ATOM 0 HZ2 LYS A 65 -10.411 -1.624 10.713 1.00 3.13 H new ATOM 0 HZ3 LYS A 65 -11.313 -0.185 10.717 1.00 3.13 H new ATOM 986 N LEU A 66 -7.503 -3.739 7.384 1.00 23.01 N ATOM 987 CA LEU A 66 -6.489 -3.109 6.556 1.00 41.42 C ATOM 988 C LEU A 66 -5.488 -4.167 6.088 1.00 72.11 C ATOM 989 O LEU A 66 -4.327 -3.856 5.827 1.00 21.42 O ATOM 990 CB LEU A 66 -5.843 -1.937 7.298 1.00 21.11 C ATOM 991 CG LEU A 66 -6.798 -1.019 8.063 1.00 14.01 C ATOM 992 CD1 LEU A 66 -6.029 0.068 8.816 1.00 1.10 C ATOM 993 CD2 LEU A 66 -7.857 -0.429 7.129 1.00 34.44 C ATOM 0 H LEU A 66 -7.265 -3.805 8.374 1.00 23.01 H new ATOM 0 HA LEU A 66 -6.941 -2.680 5.662 1.00 41.42 H new ATOM 0 HB2 LEU A 66 -5.113 -2.337 8.002 1.00 21.11 H new ATOM 0 HB3 LEU A 66 -5.292 -1.335 6.575 1.00 21.11 H new ATOM 0 HG LEU A 66 -7.322 -1.617 8.808 1.00 14.01 H new ATOM 0 HD11 LEU A 66 -6.732 0.707 9.351 1.00 1.10 H new ATOM 0 HD12 LEU A 66 -5.346 -0.396 9.528 1.00 1.10 H new ATOM 0 HD13 LEU A 66 -5.460 0.669 8.107 1.00 1.10 H new ATOM 0 HD21 LEU A 66 -8.523 0.220 7.698 1.00 34.44 H new ATOM 0 HD22 LEU A 66 -7.369 0.150 6.345 1.00 34.44 H new ATOM 0 HD23 LEU A 66 -8.434 -1.236 6.678 1.00 34.44 H new ATOM 1005 N PHE A 67 -5.975 -5.396 5.996 1.00 40.13 N ATOM 1006 CA PHE A 67 -5.138 -6.502 5.564 1.00 63.22 C ATOM 1007 C PHE A 67 -5.007 -6.528 4.040 1.00 64.14 C ATOM 1008 O PHE A 67 -4.436 -7.462 3.478 1.00 41.31 O ATOM 1009 CB PHE A 67 -5.823 -7.789 6.027 1.00 72.22 C ATOM 1010 CG PHE A 67 -5.186 -9.066 5.476 1.00 22.51 C ATOM 1011 CD1 PHE A 67 -4.030 -9.537 6.017 1.00 60.33 C ATOM 1012 CD2 PHE A 67 -5.775 -9.731 4.446 1.00 1.02 C ATOM 1013 CE1 PHE A 67 -3.438 -10.723 5.506 1.00 54.44 C ATOM 1014 CE2 PHE A 67 -5.183 -10.916 3.935 1.00 33.40 C ATOM 1015 CZ PHE A 67 -4.027 -11.387 4.476 1.00 75.25 C ATOM 0 H PHE A 67 -6.939 -5.650 6.213 1.00 40.13 H new ATOM 0 HA PHE A 67 -4.138 -6.399 5.986 1.00 63.22 H new ATOM 0 HB2 PHE A 67 -5.804 -7.827 7.116 1.00 72.22 H new ATOM 0 HB3 PHE A 67 -6.870 -7.759 5.727 1.00 72.22 H new ATOM 0 HD1 PHE A 67 -3.562 -9.009 6.835 1.00 60.33 H new ATOM 0 HD2 PHE A 67 -6.693 -9.358 4.017 1.00 1.02 H new ATOM 0 HE1 PHE A 67 -2.520 -11.097 5.936 1.00 54.44 H new ATOM 0 HE2 PHE A 67 -5.650 -11.444 3.117 1.00 33.40 H new ATOM 0 HZ PHE A 67 -3.577 -12.289 4.087 1.00 75.25 H new ATOM 1025 N LEU A 68 -5.545 -5.492 3.414 1.00 43.24 N ATOM 1026 CA LEU A 68 -5.495 -5.384 1.965 1.00 11.14 C ATOM 1027 C LEU A 68 -4.707 -4.131 1.578 1.00 24.24 C ATOM 1028 O LEU A 68 -4.412 -3.917 0.404 1.00 62.25 O ATOM 1029 CB LEU A 68 -6.906 -5.429 1.376 1.00 13.11 C ATOM 1030 CG LEU A 68 -7.557 -6.811 1.298 1.00 20.54 C ATOM 1031 CD1 LEU A 68 -8.850 -6.764 0.482 1.00 42.23 C ATOM 1032 CD2 LEU A 68 -6.574 -7.850 0.755 1.00 21.42 C ATOM 0 H LEU A 68 -6.018 -4.720 3.883 1.00 43.24 H new ATOM 0 HA LEU A 68 -4.968 -6.237 1.537 1.00 11.14 H new ATOM 0 HB2 LEU A 68 -7.548 -4.780 1.972 1.00 13.11 H new ATOM 0 HB3 LEU A 68 -6.872 -5.008 0.371 1.00 13.11 H new ATOM 0 HG LEU A 68 -7.826 -7.119 2.308 1.00 20.54 H new ATOM 0 HD11 LEU A 68 -9.292 -7.760 0.443 1.00 42.23 H new ATOM 0 HD12 LEU A 68 -9.551 -6.074 0.951 1.00 42.23 H new ATOM 0 HD13 LEU A 68 -8.629 -6.425 -0.530 1.00 42.23 H new ATOM 0 HD21 LEU A 68 -7.062 -8.824 0.710 1.00 21.42 H new ATOM 0 HD22 LEU A 68 -6.252 -7.559 -0.245 1.00 21.42 H new ATOM 0 HD23 LEU A 68 -5.707 -7.909 1.413 1.00 21.42 H new ATOM 1044 N GLN A 69 -4.387 -3.336 2.589 1.00 74.01 N ATOM 1045 CA GLN A 69 -3.639 -2.110 2.369 1.00 22.21 C ATOM 1046 C GLN A 69 -2.138 -2.371 2.517 1.00 14.32 C ATOM 1047 O GLN A 69 -1.330 -1.452 2.392 1.00 60.20 O ATOM 1048 CB GLN A 69 -4.101 -1.007 3.324 1.00 65.25 C ATOM 1049 CG GLN A 69 -5.409 -0.377 2.841 1.00 4.22 C ATOM 1050 CD GLN A 69 -6.117 0.357 3.982 1.00 43.22 C ATOM 1051 OE1 GLN A 69 -5.502 1.004 4.814 1.00 34.44 O ATOM 1052 NE2 GLN A 69 -7.440 0.222 3.973 1.00 22.11 N ATOM 0 H GLN A 69 -4.632 -3.517 3.562 1.00 74.01 H new ATOM 0 HA GLN A 69 -3.830 -1.768 1.352 1.00 22.21 H new ATOM 0 HB2 GLN A 69 -4.239 -1.420 4.323 1.00 65.25 H new ATOM 0 HB3 GLN A 69 -3.330 -0.240 3.400 1.00 65.25 H new ATOM 0 HG2 GLN A 69 -5.203 0.319 2.028 1.00 4.22 H new ATOM 0 HG3 GLN A 69 -6.063 -1.151 2.440 1.00 4.22 H new ATOM 0 HE21 GLN A 69 -7.891 -0.334 3.247 1.00 22.11 H new ATOM 0 HE22 GLN A 69 -8.004 0.675 4.692 1.00 22.11 H new ATOM 1061 N ASN A 70 -1.812 -3.627 2.782 1.00 63.23 N ATOM 1062 CA ASN A 70 -0.423 -4.020 2.948 1.00 23.12 C ATOM 1063 C ASN A 70 0.198 -4.279 1.574 1.00 52.22 C ATOM 1064 O ASN A 70 1.309 -3.831 1.296 1.00 3.23 O ATOM 1065 CB ASN A 70 -0.309 -5.307 3.768 1.00 3.31 C ATOM 1066 CG ASN A 70 -0.796 -6.514 2.964 1.00 23.13 C ATOM 1067 OD1 ASN A 70 -0.032 -7.209 2.315 1.00 23.30 O ATOM 1068 ND2 ASN A 70 -2.107 -6.724 3.044 1.00 44.45 N ATOM 0 H ASN A 70 -2.486 -4.386 2.886 1.00 63.23 H new ATOM 0 HA ASN A 70 0.095 -3.214 3.467 1.00 23.12 H new ATOM 0 HB2 ASN A 70 0.727 -5.460 4.069 1.00 3.31 H new ATOM 0 HB3 ASN A 70 -0.896 -5.213 4.682 1.00 3.31 H new ATOM 0 HD21 ASN A 70 -2.530 -7.506 2.544 1.00 44.45 H new ATOM 0 HD22 ASN A 70 -2.690 -6.103 3.606 1.00 44.45 H new ATOM 1075 N PHE A 71 -0.547 -5.001 0.750 1.00 54.41 N ATOM 1076 CA PHE A 71 -0.084 -5.324 -0.589 1.00 34.31 C ATOM 1077 C PHE A 71 -0.356 -4.171 -1.557 1.00 1.12 C ATOM 1078 O PHE A 71 -0.126 -4.297 -2.759 1.00 20.14 O ATOM 1079 CB PHE A 71 -0.869 -6.555 -1.048 1.00 62.00 C ATOM 1080 CG PHE A 71 -0.737 -7.761 -0.115 1.00 42.32 C ATOM 1081 CD1 PHE A 71 -1.836 -8.260 0.510 1.00 75.52 C ATOM 1082 CD2 PHE A 71 0.480 -8.332 0.089 1.00 21.40 C ATOM 1083 CE1 PHE A 71 -1.714 -9.379 1.375 1.00 20.35 C ATOM 1084 CE2 PHE A 71 0.603 -9.451 0.955 1.00 73.32 C ATOM 1085 CZ PHE A 71 -0.497 -9.951 1.580 1.00 70.12 C ATOM 0 H PHE A 71 -1.468 -5.372 0.984 1.00 54.41 H new ATOM 0 HA PHE A 71 0.991 -5.507 -0.577 1.00 34.31 H new ATOM 0 HB2 PHE A 71 -1.923 -6.290 -1.135 1.00 62.00 H new ATOM 0 HB3 PHE A 71 -0.529 -6.840 -2.044 1.00 62.00 H new ATOM 0 HD1 PHE A 71 -2.802 -7.805 0.349 1.00 75.52 H new ATOM 0 HD2 PHE A 71 1.353 -7.935 -0.407 1.00 21.40 H new ATOM 0 HE1 PHE A 71 -2.588 -9.776 1.870 1.00 20.35 H new ATOM 0 HE2 PHE A 71 1.570 -9.905 1.117 1.00 73.32 H new ATOM 0 HZ PHE A 71 -0.404 -10.802 2.239 1.00 70.12 H new ATOM 1095 N LYS A 72 -0.841 -3.073 -0.997 1.00 11.51 N ATOM 1096 CA LYS A 72 -1.146 -1.898 -1.795 1.00 53.55 C ATOM 1097 C LYS A 72 -1.571 -0.755 -0.871 1.00 55.45 C ATOM 1098 O LYS A 72 -2.152 -0.991 0.187 1.00 50.50 O ATOM 1099 CB LYS A 72 -2.180 -2.235 -2.872 1.00 20.01 C ATOM 1100 CG LYS A 72 -2.285 -1.109 -3.903 1.00 34.41 C ATOM 1101 CD LYS A 72 -1.327 -1.345 -5.072 1.00 74.52 C ATOM 1102 CE LYS A 72 -1.613 -0.375 -6.220 1.00 14.12 C ATOM 1103 NZ LYS A 72 -1.358 1.020 -5.795 1.00 21.30 N ATOM 0 H LYS A 72 -1.030 -2.972 0.000 1.00 11.51 H new ATOM 0 HA LYS A 72 -0.259 -1.562 -2.332 1.00 53.55 H new ATOM 0 HB2 LYS A 72 -1.902 -3.164 -3.370 1.00 20.01 H new ATOM 0 HB3 LYS A 72 -3.153 -2.400 -2.408 1.00 20.01 H new ATOM 0 HG2 LYS A 72 -3.308 -1.045 -4.274 1.00 34.41 H new ATOM 0 HG3 LYS A 72 -2.057 -0.154 -3.429 1.00 34.41 H new ATOM 0 HD2 LYS A 72 -0.298 -1.221 -4.734 1.00 74.52 H new ATOM 0 HD3 LYS A 72 -1.425 -2.371 -5.426 1.00 74.52 H new ATOM 0 HE2 LYS A 72 -0.986 -0.621 -7.077 1.00 14.12 H new ATOM 0 HE3 LYS A 72 -2.649 -0.480 -6.543 1.00 14.12 H new ATOM 0 HZ1 LYS A 72 -1.425 1.652 -6.619 1.00 21.30 H new ATOM 0 HZ2 LYS A 72 -2.064 1.301 -5.085 1.00 21.30 H new ATOM 0 HZ3 LYS A 72 -0.406 1.089 -5.383 1.00 21.30 H new ATOM 1116 N ALA A 73 -1.266 0.459 -1.305 1.00 43.43 N ATOM 1117 CA ALA A 73 -1.609 1.640 -0.530 1.00 61.42 C ATOM 1118 C ALA A 73 -2.871 2.278 -1.114 1.00 3.53 C ATOM 1119 O ALA A 73 -2.826 3.397 -1.623 1.00 2.33 O ATOM 1120 CB ALA A 73 -0.421 2.604 -0.515 1.00 21.42 C ATOM 0 H ALA A 73 -0.785 0.651 -2.184 1.00 43.43 H new ATOM 0 HA ALA A 73 -1.823 1.372 0.505 1.00 61.42 H new ATOM 0 HB1 ALA A 73 -0.678 3.490 0.066 1.00 21.42 H new ATOM 0 HB2 ALA A 73 0.441 2.112 -0.064 1.00 21.42 H new ATOM 0 HB3 ALA A 73 -0.178 2.898 -1.536 1.00 21.42 H new ATOM 1126 N GLY A 74 -3.967 1.540 -1.020 1.00 63.13 N ATOM 1127 CA GLY A 74 -5.239 2.020 -1.533 1.00 2.44 C ATOM 1128 C GLY A 74 -6.323 0.949 -1.401 1.00 20.14 C ATOM 1129 O GLY A 74 -7.489 1.266 -1.172 1.00 33.34 O ATOM 0 H GLY A 74 -4.001 0.613 -0.596 1.00 63.13 H new ATOM 0 HA2 GLY A 74 -5.540 2.916 -0.989 1.00 2.44 H new ATOM 0 HA3 GLY A 74 -5.129 2.304 -2.580 1.00 2.44 H new ATOM 1133 N ALA A 75 -5.900 -0.298 -1.551 1.00 4.43 N ATOM 1134 CA ALA A 75 -6.820 -1.418 -1.451 1.00 42.31 C ATOM 1135 C ALA A 75 -7.817 -1.154 -0.321 1.00 24.34 C ATOM 1136 O ALA A 75 -7.432 -0.712 0.761 1.00 64.23 O ATOM 1137 CB ALA A 75 -6.029 -2.711 -1.242 1.00 54.11 C ATOM 0 H ALA A 75 -4.932 -0.557 -1.741 1.00 4.43 H new ATOM 0 HA ALA A 75 -7.390 -1.531 -2.373 1.00 42.31 H new ATOM 0 HB1 ALA A 75 -6.719 -3.552 -1.167 1.00 54.11 H new ATOM 0 HB2 ALA A 75 -5.357 -2.867 -2.086 1.00 54.11 H new ATOM 0 HB3 ALA A 75 -5.446 -2.637 -0.324 1.00 54.11 H new ATOM 1143 N ARG A 76 -9.078 -1.437 -0.609 1.00 53.05 N ATOM 1144 CA ARG A 76 -10.133 -1.236 0.369 1.00 32.24 C ATOM 1145 C ARG A 76 -9.830 -2.024 1.645 1.00 34.24 C ATOM 1146 O ARG A 76 -8.760 -2.617 1.774 1.00 52.21 O ATOM 1147 CB ARG A 76 -11.490 -1.677 -0.184 1.00 64.23 C ATOM 1148 CG ARG A 76 -11.518 -3.188 -0.426 1.00 52.31 C ATOM 1149 CD ARG A 76 -12.950 -3.724 -0.375 1.00 72.20 C ATOM 1150 NE ARG A 76 -13.077 -4.912 -1.249 1.00 12.13 N ATOM 1151 CZ ARG A 76 -12.834 -6.177 -0.846 1.00 64.20 C ATOM 1152 NH1 ARG A 76 -12.979 -7.163 -1.711 1.00 63.43 N ATOM 1153 NH2 ARG A 76 -12.447 -6.430 0.423 1.00 73.24 N ATOM 0 H ARG A 76 -9.393 -1.804 -1.507 1.00 53.05 H new ATOM 0 HA ARG A 76 -10.176 -0.171 0.596 1.00 32.24 H new ATOM 0 HB2 ARG A 76 -12.279 -1.402 0.516 1.00 64.23 H new ATOM 0 HB3 ARG A 76 -11.695 -1.152 -1.117 1.00 64.23 H new ATOM 0 HG2 ARG A 76 -11.076 -3.413 -1.397 1.00 52.31 H new ATOM 0 HG3 ARG A 76 -10.910 -3.692 0.326 1.00 52.31 H new ATOM 0 HD2 ARG A 76 -13.213 -3.986 0.650 1.00 72.20 H new ATOM 0 HD3 ARG A 76 -13.648 -2.951 -0.695 1.00 72.20 H new ATOM 0 HE ARG A 76 -13.366 -4.765 -2.216 1.00 12.13 H new ATOM 0 HH11 ARG A 76 -13.271 -6.963 -2.668 1.00 63.43 H new ATOM 0 HH12 ARG A 76 -12.799 -8.125 -1.423 1.00 63.43 H new ATOM 0 HH21 ARG A 76 -12.336 -5.662 1.085 1.00 73.24 H new ATOM 0 HH22 ARG A 76 -12.265 -7.389 0.719 1.00 73.24 H new ATOM 1166 N ALA A 77 -10.792 -2.006 2.557 1.00 40.54 N ATOM 1167 CA ALA A 77 -10.642 -2.711 3.818 1.00 24.00 C ATOM 1168 C ALA A 77 -11.757 -3.749 3.953 1.00 73.21 C ATOM 1169 O ALA A 77 -12.913 -3.468 3.641 1.00 52.44 O ATOM 1170 CB ALA A 77 -10.640 -1.704 4.970 1.00 52.45 C ATOM 0 H ALA A 77 -11.679 -1.514 2.447 1.00 40.54 H new ATOM 0 HA ALA A 77 -9.691 -3.243 3.849 1.00 24.00 H new ATOM 0 HB1 ALA A 77 -10.527 -2.234 5.916 1.00 52.45 H new ATOM 0 HB2 ALA A 77 -9.811 -1.008 4.843 1.00 52.45 H new ATOM 0 HB3 ALA A 77 -11.580 -1.152 4.973 1.00 52.45 H new ATOM 1176 N LEU A 78 -11.372 -4.928 4.418 1.00 23.25 N ATOM 1177 CA LEU A 78 -12.325 -6.010 4.599 1.00 51.14 C ATOM 1178 C LEU A 78 -13.584 -5.466 5.276 1.00 35.44 C ATOM 1179 O LEU A 78 -13.511 -4.530 6.071 1.00 32.41 O ATOM 1180 CB LEU A 78 -11.677 -7.176 5.349 1.00 54.44 C ATOM 1181 CG LEU A 78 -10.592 -7.941 4.589 1.00 20.43 C ATOM 1182 CD1 LEU A 78 -11.030 -8.234 3.153 1.00 52.41 C ATOM 1183 CD2 LEU A 78 -9.257 -7.196 4.641 1.00 40.22 C ATOM 0 H LEU A 78 -10.412 -5.158 4.675 1.00 23.25 H new ATOM 0 HA LEU A 78 -12.631 -6.414 3.634 1.00 51.14 H new ATOM 0 HB2 LEU A 78 -11.244 -6.792 6.273 1.00 54.44 H new ATOM 0 HB3 LEU A 78 -12.460 -7.880 5.632 1.00 54.44 H new ATOM 0 HG LEU A 78 -10.444 -8.902 5.082 1.00 20.43 H new ATOM 0 HD11 LEU A 78 -10.240 -8.779 2.636 1.00 52.41 H new ATOM 0 HD12 LEU A 78 -11.938 -8.837 3.165 1.00 52.41 H new ATOM 0 HD13 LEU A 78 -11.224 -7.296 2.633 1.00 52.41 H new ATOM 0 HD21 LEU A 78 -8.503 -7.761 4.093 1.00 40.22 H new ATOM 0 HD22 LEU A 78 -9.372 -6.211 4.188 1.00 40.22 H new ATOM 0 HD23 LEU A 78 -8.943 -7.084 5.679 1.00 40.22 H new ATOM 1195 N SER A 79 -14.711 -6.077 4.937 1.00 5.44 N ATOM 1196 CA SER A 79 -15.984 -5.666 5.503 1.00 12.43 C ATOM 1197 C SER A 79 -15.970 -5.862 7.021 1.00 75.45 C ATOM 1198 O SER A 79 -14.937 -6.196 7.598 1.00 44.14 O ATOM 1199 CB SER A 79 -17.142 -6.445 4.877 1.00 32.44 C ATOM 1200 OG SER A 79 -18.390 -6.129 5.487 1.00 15.34 O ATOM 0 H SER A 79 -14.768 -6.853 4.278 1.00 5.44 H new ATOM 0 HA SER A 79 -16.132 -4.609 5.282 1.00 12.43 H new ATOM 0 HB2 SER A 79 -17.193 -6.224 3.811 1.00 32.44 H new ATOM 0 HB3 SER A 79 -16.953 -7.514 4.972 1.00 32.44 H new ATOM 0 HG SER A 79 -18.614 -6.816 6.149 1.00 15.34 H new ATOM 1206 N ASP A 80 -17.131 -5.647 7.623 1.00 25.44 N ATOM 1207 CA ASP A 80 -17.265 -5.797 9.062 1.00 11.15 C ATOM 1208 C ASP A 80 -17.238 -7.284 9.421 1.00 35.11 C ATOM 1209 O ASP A 80 -16.818 -7.655 10.516 1.00 14.21 O ATOM 1210 CB ASP A 80 -18.592 -5.216 9.555 1.00 43.51 C ATOM 1211 CG ASP A 80 -19.811 -5.574 8.703 1.00 41.12 C ATOM 1212 OD1 ASP A 80 -19.682 -6.168 7.622 1.00 52.32 O ATOM 1213 OD2 ASP A 80 -20.947 -5.213 9.197 1.00 65.01 O ATOM 0 H ASP A 80 -17.986 -5.370 7.141 1.00 25.44 H new ATOM 0 HA ASP A 80 -16.440 -5.264 9.534 1.00 11.15 H new ATOM 0 HB2 ASP A 80 -18.766 -5.561 10.574 1.00 43.51 H new ATOM 0 HB3 ASP A 80 -18.503 -4.130 9.597 1.00 43.51 H new ATOM 1219 N ALA A 81 -17.692 -8.096 8.477 1.00 14.24 N ATOM 1220 CA ALA A 81 -17.726 -9.534 8.680 1.00 21.21 C ATOM 1221 C ALA A 81 -16.386 -10.136 8.254 1.00 64.44 C ATOM 1222 O ALA A 81 -15.813 -10.956 8.970 1.00 32.20 O ATOM 1223 CB ALA A 81 -18.905 -10.131 7.909 1.00 30.23 C ATOM 0 H ALA A 81 -18.039 -7.785 7.570 1.00 14.24 H new ATOM 0 HA ALA A 81 -17.873 -9.770 9.734 1.00 21.21 H new ATOM 0 HB1 ALA A 81 -18.930 -11.210 8.061 1.00 30.23 H new ATOM 0 HB2 ALA A 81 -19.835 -9.692 8.269 1.00 30.23 H new ATOM 0 HB3 ALA A 81 -18.790 -9.917 6.846 1.00 30.23 H new ATOM 1229 N GLU A 82 -15.924 -9.706 7.089 1.00 71.35 N ATOM 1230 CA GLU A 82 -14.662 -10.193 6.558 1.00 42.21 C ATOM 1231 C GLU A 82 -13.560 -10.069 7.612 1.00 30.43 C ATOM 1232 O GLU A 82 -12.853 -11.036 7.892 1.00 21.14 O ATOM 1233 CB GLU A 82 -14.281 -9.447 5.278 1.00 54.25 C ATOM 1234 CG GLU A 82 -15.157 -9.890 4.104 1.00 62.53 C ATOM 1235 CD GLU A 82 -15.054 -8.903 2.939 1.00 21.42 C ATOM 1236 OE1 GLU A 82 -14.373 -9.189 1.943 1.00 5.52 O ATOM 1237 OE2 GLU A 82 -15.715 -7.806 3.094 1.00 25.34 O ATOM 0 H GLU A 82 -16.401 -9.025 6.498 1.00 71.35 H new ATOM 0 HA GLU A 82 -14.780 -11.247 6.304 1.00 42.21 H new ATOM 0 HB2 GLU A 82 -14.389 -8.373 5.433 1.00 54.25 H new ATOM 0 HB3 GLU A 82 -13.232 -9.631 5.044 1.00 54.25 H new ATOM 0 HG2 GLU A 82 -14.852 -10.882 3.772 1.00 62.53 H new ATOM 0 HG3 GLU A 82 -16.195 -9.967 4.429 1.00 62.53 H new ATOM 1245 N THR A 83 -13.449 -8.872 8.168 1.00 4.03 N ATOM 1246 CA THR A 83 -12.445 -8.610 9.186 1.00 42.33 C ATOM 1247 C THR A 83 -12.653 -9.530 10.390 1.00 13.21 C ATOM 1248 O THR A 83 -11.704 -9.847 11.105 1.00 60.20 O ATOM 1249 CB THR A 83 -12.507 -7.122 9.539 1.00 33.51 C ATOM 1250 OG1 THR A 83 -11.941 -6.472 8.405 1.00 50.02 O ATOM 1251 CG2 THR A 83 -11.567 -6.754 10.688 1.00 3.42 C ATOM 0 H THR A 83 -14.037 -8.073 7.933 1.00 4.03 H new ATOM 0 HA THR A 83 -11.443 -8.830 8.819 1.00 42.33 H new ATOM 0 HB THR A 83 -13.529 -6.855 9.807 1.00 33.51 H new ATOM 0 HG1 THR A 83 -12.646 -6.284 7.750 1.00 50.02 H new ATOM 0 HG21 THR A 83 -11.650 -5.688 10.898 1.00 3.42 H new ATOM 0 HG22 THR A 83 -11.840 -7.322 11.578 1.00 3.42 H new ATOM 0 HG23 THR A 83 -10.540 -6.990 10.408 1.00 3.42 H new ATOM 1259 N LYS A 84 -13.902 -9.932 10.578 1.00 65.32 N ATOM 1260 CA LYS A 84 -14.247 -10.810 11.683 1.00 2.44 C ATOM 1261 C LYS A 84 -13.749 -12.224 11.381 1.00 72.44 C ATOM 1262 O LYS A 84 -13.217 -12.901 12.260 1.00 54.32 O ATOM 1263 CB LYS A 84 -15.746 -10.735 11.978 1.00 32.15 C ATOM 1264 CG LYS A 84 -16.042 -9.690 13.057 1.00 65.34 C ATOM 1265 CD LYS A 84 -17.438 -9.892 13.647 1.00 14.04 C ATOM 1266 CE LYS A 84 -17.710 -8.886 14.767 1.00 14.33 C ATOM 1267 NZ LYS A 84 -19.167 -8.689 14.945 1.00 45.22 N ATOM 0 H LYS A 84 -14.687 -9.666 9.984 1.00 65.32 H new ATOM 0 HA LYS A 84 -13.749 -10.486 12.597 1.00 2.44 H new ATOM 0 HB2 LYS A 84 -16.288 -10.484 11.066 1.00 32.15 H new ATOM 0 HB3 LYS A 84 -16.105 -11.711 12.304 1.00 32.15 H new ATOM 0 HG2 LYS A 84 -15.296 -9.758 13.848 1.00 65.34 H new ATOM 0 HG3 LYS A 84 -15.965 -8.690 12.631 1.00 65.34 H new ATOM 0 HD2 LYS A 84 -18.188 -9.781 12.863 1.00 14.04 H new ATOM 0 HD3 LYS A 84 -17.530 -10.907 14.034 1.00 14.04 H new ATOM 0 HE2 LYS A 84 -17.269 -9.241 15.698 1.00 14.33 H new ATOM 0 HE3 LYS A 84 -17.234 -7.934 14.532 1.00 14.33 H new ATOM 0 HZ1 LYS A 84 -19.334 -8.003 15.709 1.00 45.22 H new ATOM 0 HZ2 LYS A 84 -19.579 -8.329 14.061 1.00 45.22 H new ATOM 0 HZ3 LYS A 84 -19.613 -9.596 15.191 1.00 45.22 H new ATOM 1280 N ALA A 85 -13.940 -12.630 10.134 1.00 65.02 N ATOM 1281 CA ALA A 85 -13.517 -13.952 9.704 1.00 24.11 C ATOM 1282 C ALA A 85 -11.995 -14.058 9.818 1.00 45.04 C ATOM 1283 O ALA A 85 -11.473 -15.065 10.293 1.00 25.11 O ATOM 1284 CB ALA A 85 -14.014 -14.210 8.280 1.00 15.15 C ATOM 0 H ALA A 85 -14.382 -12.067 9.408 1.00 65.02 H new ATOM 0 HA ALA A 85 -13.950 -14.720 10.345 1.00 24.11 H new ATOM 0 HB1 ALA A 85 -13.696 -15.202 7.958 1.00 15.15 H new ATOM 0 HB2 ALA A 85 -15.102 -14.153 8.258 1.00 15.15 H new ATOM 0 HB3 ALA A 85 -13.598 -13.460 7.608 1.00 15.15 H new ATOM 1290 N PHE A 86 -11.325 -13.005 9.373 1.00 53.51 N ATOM 1291 CA PHE A 86 -9.873 -12.966 9.419 1.00 75.33 C ATOM 1292 C PHE A 86 -9.376 -12.746 10.849 1.00 65.24 C ATOM 1293 O PHE A 86 -8.193 -12.930 11.133 1.00 31.32 O ATOM 1294 CB PHE A 86 -9.430 -11.788 8.550 1.00 65.04 C ATOM 1295 CG PHE A 86 -7.925 -11.752 8.271 1.00 75.31 C ATOM 1296 CD1 PHE A 86 -7.247 -12.910 8.049 1.00 33.21 C ATOM 1297 CD2 PHE A 86 -7.267 -10.563 8.245 1.00 2.20 C ATOM 1298 CE1 PHE A 86 -5.852 -12.877 7.791 1.00 65.04 C ATOM 1299 CE2 PHE A 86 -5.871 -10.530 7.986 1.00 1.35 C ATOM 1300 CZ PHE A 86 -5.193 -11.688 7.765 1.00 43.43 C ATOM 0 H PHE A 86 -11.761 -12.172 8.979 1.00 53.51 H new ATOM 0 HA PHE A 86 -9.463 -13.911 9.062 1.00 75.33 H new ATOM 0 HB2 PHE A 86 -9.964 -11.829 7.601 1.00 65.04 H new ATOM 0 HB3 PHE A 86 -9.721 -10.859 9.040 1.00 65.04 H new ATOM 0 HD1 PHE A 86 -7.770 -13.855 8.069 1.00 33.21 H new ATOM 0 HD2 PHE A 86 -7.806 -9.644 8.421 1.00 2.20 H new ATOM 0 HE1 PHE A 86 -5.314 -13.797 7.615 1.00 65.04 H new ATOM 0 HE2 PHE A 86 -5.348 -9.585 7.965 1.00 1.35 H new ATOM 0 HZ PHE A 86 -4.131 -11.663 7.569 1.00 43.43 H new ATOM 1310 N LEU A 87 -10.303 -12.355 11.710 1.00 23.34 N ATOM 1311 CA LEU A 87 -9.973 -12.108 13.104 1.00 62.12 C ATOM 1312 C LEU A 87 -9.984 -13.433 13.869 1.00 72.01 C ATOM 1313 O LEU A 87 -8.950 -13.876 14.366 1.00 42.03 O ATOM 1314 CB LEU A 87 -10.905 -11.048 13.695 1.00 24.42 C ATOM 1315 CG LEU A 87 -10.728 -10.758 15.187 1.00 15.20 C ATOM 1316 CD1 LEU A 87 -9.427 -9.997 15.447 1.00 0.05 C ATOM 1317 CD2 LEU A 87 -11.946 -10.021 15.749 1.00 4.34 C ATOM 0 H LEU A 87 -11.283 -12.203 11.470 1.00 23.34 H new ATOM 0 HA LEU A 87 -8.967 -11.698 13.191 1.00 62.12 H new ATOM 0 HB2 LEU A 87 -10.761 -10.118 13.145 1.00 24.42 H new ATOM 0 HB3 LEU A 87 -11.935 -11.363 13.526 1.00 24.42 H new ATOM 0 HG LEU A 87 -10.655 -11.709 15.714 1.00 15.20 H new ATOM 0 HD11 LEU A 87 -9.326 -9.804 16.515 1.00 0.05 H new ATOM 0 HD12 LEU A 87 -8.582 -10.594 15.105 1.00 0.05 H new ATOM 0 HD13 LEU A 87 -9.445 -9.050 14.907 1.00 0.05 H new ATOM 0 HD21 LEU A 87 -11.796 -9.827 16.811 1.00 4.34 H new ATOM 0 HD22 LEU A 87 -12.075 -9.076 15.222 1.00 4.34 H new ATOM 0 HD23 LEU A 87 -12.837 -10.635 15.615 1.00 4.34 H new ATOM 1329 N LYS A 88 -11.166 -14.029 13.940 1.00 44.54 N ATOM 1330 CA LYS A 88 -11.325 -15.294 14.636 1.00 53.12 C ATOM 1331 C LYS A 88 -10.367 -16.325 14.037 1.00 63.11 C ATOM 1332 O LYS A 88 -9.772 -17.120 14.763 1.00 43.01 O ATOM 1333 CB LYS A 88 -12.791 -15.734 14.619 1.00 43.34 C ATOM 1334 CG LYS A 88 -13.535 -15.210 15.849 1.00 64.31 C ATOM 1335 CD LYS A 88 -14.712 -16.120 16.206 1.00 24.22 C ATOM 1336 CE LYS A 88 -15.396 -15.652 17.492 1.00 60.00 C ATOM 1337 NZ LYS A 88 -16.805 -16.103 17.523 1.00 72.21 N ATOM 0 H LYS A 88 -12.022 -13.659 13.527 1.00 44.54 H new ATOM 0 HA LYS A 88 -11.060 -15.186 15.688 1.00 53.12 H new ATOM 0 HB2 LYS A 88 -13.274 -15.367 13.714 1.00 43.34 H new ATOM 0 HB3 LYS A 88 -12.848 -16.822 14.592 1.00 43.34 H new ATOM 0 HG2 LYS A 88 -12.849 -15.148 16.694 1.00 64.31 H new ATOM 0 HG3 LYS A 88 -13.897 -14.200 15.657 1.00 64.31 H new ATOM 0 HD2 LYS A 88 -15.433 -16.126 15.388 1.00 24.22 H new ATOM 0 HD3 LYS A 88 -14.360 -17.144 16.329 1.00 24.22 H new ATOM 0 HE2 LYS A 88 -14.863 -16.045 18.358 1.00 60.00 H new ATOM 0 HE3 LYS A 88 -15.354 -14.565 17.558 1.00 60.00 H new ATOM 0 HZ1 LYS A 88 -17.255 -15.777 18.402 1.00 72.21 H new ATOM 0 HZ2 LYS A 88 -17.314 -15.708 16.707 1.00 72.21 H new ATOM 0 HZ3 LYS A 88 -16.838 -17.142 17.482 1.00 72.21 H new ATOM 1350 N ALA A 89 -10.247 -16.279 12.718 1.00 0.42 N ATOM 1351 CA ALA A 89 -9.371 -17.199 12.013 1.00 2.14 C ATOM 1352 C ALA A 89 -8.029 -17.280 12.744 1.00 32.05 C ATOM 1353 O ALA A 89 -7.682 -18.322 13.299 1.00 14.20 O ATOM 1354 CB ALA A 89 -9.216 -16.745 10.560 1.00 35.43 C ATOM 0 H ALA A 89 -10.742 -15.618 12.119 1.00 0.42 H new ATOM 0 HA ALA A 89 -9.800 -18.201 11.998 1.00 2.14 H new ATOM 0 HB1 ALA A 89 -8.559 -17.435 10.031 1.00 35.43 H new ATOM 0 HB2 ALA A 89 -10.193 -16.732 10.077 1.00 35.43 H new ATOM 0 HB3 ALA A 89 -8.786 -15.744 10.536 1.00 35.43 H new ATOM 1360 N GLY A 90 -7.311 -16.167 12.722 1.00 40.12 N ATOM 1361 CA GLY A 90 -6.015 -16.099 13.376 1.00 51.04 C ATOM 1362 C GLY A 90 -6.172 -15.975 14.893 1.00 71.45 C ATOM 1363 O GLY A 90 -5.750 -16.858 15.638 1.00 72.32 O ATOM 0 H GLY A 90 -7.602 -15.305 12.261 1.00 40.12 H new ATOM 0 HA2 GLY A 90 -5.437 -16.992 13.138 1.00 51.04 H new ATOM 0 HA3 GLY A 90 -5.455 -15.245 12.994 1.00 51.04 H new ATOM 1367 N ASP A 91 -6.780 -14.873 15.305 1.00 51.35 N ATOM 1368 CA ASP A 91 -6.998 -14.622 16.719 1.00 30.21 C ATOM 1369 C ASP A 91 -7.621 -15.863 17.362 1.00 1.23 C ATOM 1370 O ASP A 91 -8.839 -16.030 17.345 1.00 15.23 O ATOM 1371 CB ASP A 91 -7.957 -13.449 16.929 1.00 0.23 C ATOM 1372 CG ASP A 91 -7.639 -12.562 18.135 1.00 52.11 C ATOM 1373 OD1 ASP A 91 -6.514 -12.571 18.656 1.00 61.23 O ATOM 1374 OD2 ASP A 91 -8.618 -11.828 18.545 1.00 22.31 O ATOM 0 H ASP A 91 -7.129 -14.143 14.684 1.00 51.35 H new ATOM 0 HA ASP A 91 -6.035 -14.386 17.172 1.00 30.21 H new ATOM 0 HB2 ASP A 91 -7.953 -12.831 16.031 1.00 0.23 H new ATOM 0 HB3 ASP A 91 -8.968 -13.841 17.042 1.00 0.23 H new ATOM 1380 N SER A 92 -6.756 -16.701 17.914 1.00 33.33 N ATOM 1381 CA SER A 92 -7.206 -17.922 18.562 1.00 54.31 C ATOM 1382 C SER A 92 -7.486 -17.656 20.042 1.00 20.05 C ATOM 1383 O SER A 92 -7.829 -18.518 20.828 1.00 42.41 O ATOM 1384 CB SER A 92 -6.173 -19.040 18.409 1.00 0.51 C ATOM 1385 OG SER A 92 -6.545 -19.976 17.401 1.00 24.03 O ATOM 0 H SER A 92 -5.746 -16.559 17.926 1.00 33.33 H new ATOM 0 HA SER A 92 -8.127 -18.247 18.078 1.00 54.31 H new ATOM 0 HB2 SER A 92 -5.204 -18.607 18.162 1.00 0.51 H new ATOM 0 HB3 SER A 92 -6.057 -19.559 19.360 1.00 0.51 H new ATOM 0 HG SER A 92 -5.859 -20.673 17.333 1.00 24.03 H new ATOM 1391 N ASP A 93 -7.330 -16.417 20.419 1.00 22.02 N ATOM 1392 CA ASP A 93 -7.578 -16.028 21.836 1.00 23.52 C ATOM 1393 C ASP A 93 -8.625 -14.911 21.897 1.00 24.44 C ATOM 1394 O ASP A 93 -8.952 -14.489 23.005 1.00 3.13 O ATOM 1395 CB ASP A 93 -6.228 -15.528 22.351 1.00 22.03 C ATOM 1396 CG ASP A 93 -5.513 -14.753 21.243 1.00 23.23 C ATOM 1397 OD1 ASP A 93 -6.193 -14.094 20.474 1.00 61.14 O ATOM 1398 OD2 ASP A 93 -4.297 -14.832 21.180 1.00 24.15 O ATOM 0 H ASP A 93 -7.041 -15.655 19.805 1.00 22.02 H new ATOM 0 HA ASP A 93 -7.959 -16.856 22.434 1.00 23.52 H new ATOM 0 HB2 ASP A 93 -6.373 -14.888 23.221 1.00 22.03 H new ATOM 0 HB3 ASP A 93 -5.616 -16.370 22.674 1.00 22.03 H new ATOM 1403 N GLY A 94 -9.112 -14.464 20.750 1.00 53.24 N ATOM 1404 CA GLY A 94 -10.105 -13.403 20.721 1.00 5.31 C ATOM 1405 C GLY A 94 -9.825 -12.361 21.806 1.00 4.20 C ATOM 1406 O GLY A 94 -10.567 -12.261 22.782 1.00 41.53 O ATOM 0 H GLY A 94 -8.838 -14.817 19.833 1.00 53.24 H new ATOM 0 HA2 GLY A 94 -10.102 -12.924 19.742 1.00 5.31 H new ATOM 0 HA3 GLY A 94 -11.099 -13.826 20.866 1.00 5.31 H new ATOM 1410 N ASP A 95 -8.752 -11.611 21.599 1.00 23.52 N ATOM 1411 CA ASP A 95 -8.364 -10.581 22.548 1.00 55.25 C ATOM 1412 C ASP A 95 -8.722 -9.207 21.976 1.00 63.54 C ATOM 1413 O ASP A 95 -8.884 -8.243 22.722 1.00 33.41 O ATOM 1414 CB ASP A 95 -6.857 -10.608 22.805 1.00 3.02 C ATOM 1415 CG ASP A 95 -6.281 -11.987 23.132 1.00 32.42 C ATOM 1416 OD1 ASP A 95 -5.074 -12.227 22.985 1.00 44.03 O ATOM 1417 OD2 ASP A 95 -7.140 -12.849 23.561 1.00 54.10 O ATOM 0 H ASP A 95 -8.139 -11.696 20.788 1.00 23.52 H new ATOM 0 HA ASP A 95 -8.892 -10.767 23.483 1.00 55.25 H new ATOM 0 HB2 ASP A 95 -6.347 -10.217 21.925 1.00 3.02 H new ATOM 0 HB3 ASP A 95 -6.632 -9.932 23.630 1.00 3.02 H new ATOM 1423 N GLY A 96 -8.833 -9.162 20.656 1.00 34.22 N ATOM 1424 CA GLY A 96 -9.168 -7.923 19.976 1.00 54.14 C ATOM 1425 C GLY A 96 -8.021 -7.466 19.072 1.00 11.24 C ATOM 1426 O GLY A 96 -8.052 -6.359 18.536 1.00 63.52 O ATOM 0 H GLY A 96 -8.697 -9.964 20.040 1.00 34.22 H new ATOM 0 HA2 GLY A 96 -10.071 -8.063 19.381 1.00 54.14 H new ATOM 0 HA3 GLY A 96 -9.387 -7.148 20.711 1.00 54.14 H new ATOM 1430 N LYS A 97 -7.036 -8.341 18.932 1.00 12.13 N ATOM 1431 CA LYS A 97 -5.881 -8.041 18.103 1.00 30.13 C ATOM 1432 C LYS A 97 -5.320 -9.343 17.528 1.00 70.01 C ATOM 1433 O LYS A 97 -5.746 -10.431 17.914 1.00 44.42 O ATOM 1434 CB LYS A 97 -4.854 -7.224 18.890 1.00 15.22 C ATOM 1435 CG LYS A 97 -5.545 -6.275 19.872 1.00 52.23 C ATOM 1436 CD LYS A 97 -4.519 -5.521 20.720 1.00 61.01 C ATOM 1437 CE LYS A 97 -3.836 -6.460 21.717 1.00 52.42 C ATOM 1438 NZ LYS A 97 -2.767 -5.747 22.451 1.00 43.12 N ATOM 0 H LYS A 97 -7.014 -9.258 19.379 1.00 12.13 H new ATOM 0 HA LYS A 97 -6.171 -7.417 17.258 1.00 30.13 H new ATOM 0 HB2 LYS A 97 -4.189 -7.895 19.434 1.00 15.22 H new ATOM 0 HB3 LYS A 97 -4.234 -6.651 18.200 1.00 15.22 H new ATOM 0 HG2 LYS A 97 -6.161 -5.563 19.323 1.00 52.23 H new ATOM 0 HG3 LYS A 97 -6.213 -6.841 20.521 1.00 52.23 H new ATOM 0 HD2 LYS A 97 -3.770 -5.066 20.072 1.00 61.01 H new ATOM 0 HD3 LYS A 97 -5.011 -4.710 21.257 1.00 61.01 H new ATOM 0 HE2 LYS A 97 -4.571 -6.850 22.421 1.00 52.42 H new ATOM 0 HE3 LYS A 97 -3.415 -7.316 21.190 1.00 52.42 H new ATOM 0 HZ1 LYS A 97 -2.314 -6.398 23.123 1.00 43.12 H new ATOM 0 HZ2 LYS A 97 -2.057 -5.396 21.777 1.00 43.12 H new ATOM 0 HZ3 LYS A 97 -3.178 -4.945 22.970 1.00 43.12 H new ATOM 1451 N ILE A 98 -4.373 -9.189 16.614 1.00 31.11 N ATOM 1452 CA ILE A 98 -3.749 -10.339 15.982 1.00 74.04 C ATOM 1453 C ILE A 98 -2.231 -10.151 15.976 1.00 60.30 C ATOM 1454 O ILE A 98 -1.701 -9.370 15.187 1.00 74.42 O ATOM 1455 CB ILE A 98 -4.345 -10.575 14.592 1.00 11.12 C ATOM 1456 CG1 ILE A 98 -5.668 -11.338 14.685 1.00 20.12 C ATOM 1457 CG2 ILE A 98 -3.341 -11.278 13.677 1.00 24.53 C ATOM 1458 CD1 ILE A 98 -6.031 -11.972 13.341 1.00 62.31 C ATOM 0 H ILE A 98 -4.023 -8.285 16.296 1.00 31.11 H new ATOM 0 HA ILE A 98 -3.956 -11.245 16.551 1.00 74.04 H new ATOM 0 HB ILE A 98 -4.563 -9.605 14.145 1.00 11.12 H new ATOM 0 HG12 ILE A 98 -5.592 -12.113 15.448 1.00 20.12 H new ATOM 0 HG13 ILE A 98 -6.462 -10.660 14.997 1.00 20.12 H new ATOM 0 HG21 ILE A 98 -3.790 -11.434 12.696 1.00 24.53 H new ATOM 0 HG22 ILE A 98 -2.448 -10.661 13.574 1.00 24.53 H new ATOM 0 HG23 ILE A 98 -3.068 -12.241 14.108 1.00 24.53 H new ATOM 0 HD11 ILE A 98 -6.975 -12.508 13.435 1.00 62.31 H new ATOM 0 HD12 ILE A 98 -6.130 -11.192 12.586 1.00 62.31 H new ATOM 0 HD13 ILE A 98 -5.247 -12.668 13.043 1.00 62.31 H new ATOM 1470 N GLY A 99 -1.573 -10.881 16.865 1.00 13.54 N ATOM 1471 CA GLY A 99 -0.126 -10.804 16.973 1.00 73.22 C ATOM 1472 C GLY A 99 0.549 -11.600 15.854 1.00 4.21 C ATOM 1473 O GLY A 99 -0.095 -11.968 14.873 1.00 21.43 O ATOM 0 H GLY A 99 -2.015 -11.529 17.517 1.00 13.54 H new ATOM 0 HA2 GLY A 99 0.191 -9.762 16.926 1.00 73.22 H new ATOM 0 HA3 GLY A 99 0.191 -11.190 17.942 1.00 73.22 H new ATOM 1477 N ILE A 100 1.839 -11.841 16.039 1.00 40.03 N ATOM 1478 CA ILE A 100 2.609 -12.586 15.057 1.00 20.12 C ATOM 1479 C ILE A 100 2.390 -14.085 15.275 1.00 44.33 C ATOM 1480 O ILE A 100 2.299 -14.848 14.315 1.00 73.04 O ATOM 1481 CB ILE A 100 4.080 -12.167 15.100 1.00 52.45 C ATOM 1482 CG1 ILE A 100 4.666 -12.080 13.689 1.00 62.41 C ATOM 1483 CG2 ILE A 100 4.890 -13.100 16.001 1.00 4.11 C ATOM 1484 CD1 ILE A 100 4.538 -13.419 12.959 1.00 53.00 C ATOM 0 H ILE A 100 2.370 -11.534 16.854 1.00 40.03 H new ATOM 0 HA ILE A 100 2.265 -12.356 14.049 1.00 20.12 H new ATOM 0 HB ILE A 100 4.139 -11.169 15.535 1.00 52.45 H new ATOM 0 HG12 ILE A 100 4.150 -11.303 13.124 1.00 62.41 H new ATOM 0 HG13 ILE A 100 5.715 -11.791 13.744 1.00 62.41 H new ATOM 0 HG21 ILE A 100 5.932 -12.780 16.014 1.00 4.11 H new ATOM 0 HG22 ILE A 100 4.488 -13.067 17.014 1.00 4.11 H new ATOM 0 HG23 ILE A 100 4.828 -14.119 15.619 1.00 4.11 H new ATOM 0 HD11 ILE A 100 4.962 -13.330 11.959 1.00 53.00 H new ATOM 0 HD12 ILE A 100 5.075 -14.189 13.514 1.00 53.00 H new ATOM 0 HD13 ILE A 100 3.486 -13.693 12.884 1.00 53.00 H new ATOM 1496 N ASP A 101 2.313 -14.461 16.543 1.00 62.03 N ATOM 1497 CA ASP A 101 2.107 -15.855 16.898 1.00 1.34 C ATOM 1498 C ASP A 101 0.696 -16.278 16.487 1.00 73.34 C ATOM 1499 O ASP A 101 0.411 -17.469 16.368 1.00 40.04 O ATOM 1500 CB ASP A 101 2.242 -16.063 18.408 1.00 33.41 C ATOM 1501 CG ASP A 101 3.207 -15.106 19.110 1.00 61.13 C ATOM 1502 OD1 ASP A 101 4.429 -15.319 19.113 1.00 74.52 O ATOM 1503 OD2 ASP A 101 2.651 -14.091 19.679 1.00 52.34 O ATOM 0 H ASP A 101 2.389 -13.825 17.337 1.00 62.03 H new ATOM 0 HA ASP A 101 2.861 -16.450 16.382 1.00 1.34 H new ATOM 0 HB2 ASP A 101 1.257 -15.960 18.863 1.00 33.41 H new ATOM 0 HB3 ASP A 101 2.572 -17.086 18.590 1.00 33.41 H new ATOM 1509 N GLU A 102 -0.151 -15.280 16.280 1.00 24.13 N ATOM 1510 CA GLU A 102 -1.525 -15.534 15.884 1.00 34.32 C ATOM 1511 C GLU A 102 -1.683 -15.359 14.373 1.00 54.14 C ATOM 1512 O GLU A 102 -2.364 -16.149 13.720 1.00 11.12 O ATOM 1513 CB GLU A 102 -2.492 -14.625 16.646 1.00 73.34 C ATOM 1514 CG GLU A 102 -2.553 -15.007 18.126 1.00 73.31 C ATOM 1515 CD GLU A 102 -3.222 -13.905 18.950 1.00 45.54 C ATOM 1516 OE1 GLU A 102 -2.477 -13.202 19.668 1.00 72.54 O ATOM 1517 OE2 GLU A 102 -4.462 -13.788 18.842 1.00 24.55 O ATOM 0 H GLU A 102 0.089 -14.294 16.379 1.00 24.13 H new ATOM 0 HA GLU A 102 -1.771 -16.565 16.138 1.00 34.32 H new ATOM 0 HB2 GLU A 102 -2.175 -13.587 16.548 1.00 73.34 H new ATOM 0 HB3 GLU A 102 -3.487 -14.697 16.207 1.00 73.34 H new ATOM 0 HG2 GLU A 102 -3.106 -15.939 18.242 1.00 73.31 H new ATOM 0 HG3 GLU A 102 -1.545 -15.185 18.501 1.00 73.31 H new ATOM 1524 N PHE A 103 -1.043 -14.319 13.860 1.00 40.35 N ATOM 1525 CA PHE A 103 -1.104 -14.030 12.437 1.00 41.42 C ATOM 1526 C PHE A 103 -0.289 -15.047 11.635 1.00 11.32 C ATOM 1527 O PHE A 103 -0.588 -15.308 10.471 1.00 33.11 O ATOM 1528 CB PHE A 103 -0.499 -12.638 12.237 1.00 74.41 C ATOM 1529 CG PHE A 103 -0.188 -12.299 10.778 1.00 74.03 C ATOM 1530 CD1 PHE A 103 1.096 -12.332 10.331 1.00 53.12 C ATOM 1531 CD2 PHE A 103 -1.196 -11.964 9.928 1.00 61.43 C ATOM 1532 CE1 PHE A 103 1.384 -12.017 8.977 1.00 44.24 C ATOM 1533 CE2 PHE A 103 -0.907 -11.649 8.574 1.00 72.35 C ATOM 1534 CZ PHE A 103 0.377 -11.682 8.127 1.00 71.24 C ATOM 0 H PHE A 103 -0.479 -13.666 14.404 1.00 40.35 H new ATOM 0 HA PHE A 103 -2.137 -14.079 12.092 1.00 41.42 H new ATOM 0 HB2 PHE A 103 -1.189 -11.893 12.633 1.00 74.41 H new ATOM 0 HB3 PHE A 103 0.419 -12.565 12.820 1.00 74.41 H new ATOM 0 HD1 PHE A 103 1.896 -12.598 11.006 1.00 53.12 H new ATOM 0 HD2 PHE A 103 -2.216 -11.938 10.283 1.00 61.43 H new ATOM 0 HE1 PHE A 103 2.404 -12.043 8.622 1.00 44.24 H new ATOM 0 HE2 PHE A 103 -1.707 -11.383 7.899 1.00 72.35 H new ATOM 0 HZ PHE A 103 0.597 -11.442 7.097 1.00 71.24 H new ATOM 1544 N ALA A 104 0.725 -15.593 12.290 1.00 33.03 N ATOM 1545 CA ALA A 104 1.585 -16.576 11.653 1.00 12.32 C ATOM 1546 C ALA A 104 0.988 -17.971 11.847 1.00 23.31 C ATOM 1547 O ALA A 104 1.435 -18.933 11.224 1.00 20.21 O ATOM 1548 CB ALA A 104 3.000 -16.462 12.224 1.00 71.13 C ATOM 0 H ALA A 104 0.970 -15.373 13.255 1.00 33.03 H new ATOM 0 HA ALA A 104 1.651 -16.392 10.581 1.00 12.32 H new ATOM 0 HB1 ALA A 104 3.646 -17.199 11.747 1.00 71.13 H new ATOM 0 HB2 ALA A 104 3.389 -15.462 12.034 1.00 71.13 H new ATOM 0 HB3 ALA A 104 2.975 -16.644 13.298 1.00 71.13 H new ATOM 1554 N ALA A 105 -0.012 -18.037 12.713 1.00 22.25 N ATOM 1555 CA ALA A 105 -0.674 -19.299 12.997 1.00 32.03 C ATOM 1556 C ALA A 105 -1.649 -19.625 11.864 1.00 50.41 C ATOM 1557 O ALA A 105 -1.586 -20.704 11.277 1.00 41.43 O ATOM 1558 CB ALA A 105 -1.369 -19.216 14.358 1.00 23.40 C ATOM 0 H ALA A 105 -0.380 -17.237 13.228 1.00 22.25 H new ATOM 0 HA ALA A 105 0.053 -20.110 13.050 1.00 32.03 H new ATOM 0 HB1 ALA A 105 -1.866 -20.163 14.571 1.00 23.40 H new ATOM 0 HB2 ALA A 105 -0.630 -19.012 15.132 1.00 23.40 H new ATOM 0 HB3 ALA A 105 -2.108 -18.415 14.341 1.00 23.40 H new ATOM 1564 N MET A 106 -2.528 -18.672 11.590 1.00 0.34 N ATOM 1565 CA MET A 106 -3.515 -18.844 10.538 1.00 42.53 C ATOM 1566 C MET A 106 -2.853 -19.295 9.234 1.00 10.31 C ATOM 1567 O MET A 106 -3.519 -19.827 8.347 1.00 12.43 O ATOM 1568 CB MET A 106 -4.250 -17.522 10.306 1.00 11.14 C ATOM 1569 CG MET A 106 -3.263 -16.388 10.023 1.00 0.30 C ATOM 1570 SD MET A 106 -4.045 -14.810 10.316 1.00 31.21 S ATOM 1571 CE MET A 106 -5.678 -15.151 9.681 1.00 32.33 C ATOM 0 H MET A 106 -2.577 -17.778 12.079 1.00 0.34 H new ATOM 0 HA MET A 106 -4.221 -19.613 10.851 1.00 42.53 H new ATOM 0 HB2 MET A 106 -4.939 -17.627 9.468 1.00 11.14 H new ATOM 0 HB3 MET A 106 -4.850 -17.277 11.182 1.00 11.14 H new ATOM 0 HG2 MET A 106 -2.385 -16.492 10.660 1.00 0.30 H new ATOM 0 HG3 MET A 106 -2.917 -16.445 8.991 1.00 0.30 H new ATOM 0 HE1 MET A 106 -6.275 -14.240 9.705 1.00 32.33 H new ATOM 0 HE2 MET A 106 -5.602 -15.508 8.654 1.00 32.33 H new ATOM 0 HE3 MET A 106 -6.155 -15.914 10.296 1.00 32.33 H new ATOM 1581 N ILE A 107 -1.550 -19.066 9.159 1.00 12.11 N ATOM 1582 CA ILE A 107 -0.791 -19.442 7.979 1.00 60.23 C ATOM 1583 C ILE A 107 0.065 -20.669 8.298 1.00 22.31 C ATOM 1584 O ILE A 107 0.255 -21.537 7.447 1.00 34.12 O ATOM 1585 CB ILE A 107 0.013 -18.250 7.456 1.00 24.15 C ATOM 1586 CG1 ILE A 107 0.454 -17.340 8.605 1.00 34.21 C ATOM 1587 CG2 ILE A 107 -0.770 -17.486 6.388 1.00 54.33 C ATOM 1588 CD1 ILE A 107 1.266 -16.153 8.084 1.00 62.31 C ATOM 0 H ILE A 107 -1.001 -18.625 9.897 1.00 12.11 H new ATOM 0 HA ILE A 107 -1.463 -19.724 7.168 1.00 60.23 H new ATOM 0 HB ILE A 107 0.917 -18.630 6.981 1.00 24.15 H new ATOM 0 HG12 ILE A 107 -0.422 -16.978 9.143 1.00 34.21 H new ATOM 0 HG13 ILE A 107 1.052 -17.910 9.316 1.00 34.21 H new ATOM 0 HG21 ILE A 107 -0.175 -16.644 6.034 1.00 54.33 H new ATOM 0 HG22 ILE A 107 -0.991 -18.151 5.553 1.00 54.33 H new ATOM 0 HG23 ILE A 107 -1.703 -17.117 6.815 1.00 54.33 H new ATOM 0 HD11 ILE A 107 1.567 -15.523 8.921 1.00 62.31 H new ATOM 0 HD12 ILE A 107 2.154 -16.518 7.567 1.00 62.31 H new ATOM 0 HD13 ILE A 107 0.657 -15.571 7.392 1.00 62.31 H new ATOM 1600 N LYS A 108 0.560 -20.703 9.527 1.00 52.52 N ATOM 1601 CA LYS A 108 1.391 -21.809 9.969 1.00 4.12 C ATOM 1602 C LYS A 108 0.524 -23.058 10.137 1.00 11.11 C ATOM 1603 O LYS A 108 1.043 -24.166 10.264 1.00 13.01 O ATOM 1604 CB LYS A 108 2.167 -21.425 11.231 1.00 44.14 C ATOM 1605 CG LYS A 108 2.883 -22.640 11.825 1.00 14.35 C ATOM 1606 CD LYS A 108 4.122 -22.214 12.615 1.00 41.01 C ATOM 1607 CE LYS A 108 4.909 -23.433 13.100 1.00 34.31 C ATOM 1608 NZ LYS A 108 5.876 -23.042 14.150 1.00 73.11 N ATOM 0 H LYS A 108 0.401 -19.982 10.230 1.00 52.52 H new ATOM 0 HA LYS A 108 2.145 -22.043 9.217 1.00 4.12 H new ATOM 0 HB2 LYS A 108 2.895 -20.650 10.993 1.00 44.14 H new ATOM 0 HB3 LYS A 108 1.484 -21.004 11.969 1.00 44.14 H new ATOM 0 HG2 LYS A 108 2.201 -23.185 12.477 1.00 14.35 H new ATOM 0 HG3 LYS A 108 3.174 -23.322 11.026 1.00 14.35 H new ATOM 0 HD2 LYS A 108 4.760 -21.590 11.989 1.00 41.01 H new ATOM 0 HD3 LYS A 108 3.822 -21.607 13.469 1.00 41.01 H new ATOM 0 HE2 LYS A 108 4.223 -24.184 13.491 1.00 34.31 H new ATOM 0 HE3 LYS A 108 5.437 -23.889 12.263 1.00 34.31 H new ATOM 0 HZ1 LYS A 108 6.402 -23.881 14.468 1.00 73.11 H new ATOM 0 HZ2 LYS A 108 6.542 -22.342 13.765 1.00 73.11 H new ATOM 0 HZ3 LYS A 108 5.365 -22.628 14.956 1.00 73.11 H new ATOM 1621 N GLY A 109 -0.782 -22.837 10.132 1.00 35.13 N ATOM 1622 CA GLY A 109 -1.727 -23.931 10.283 1.00 60.04 C ATOM 1623 C GLY A 109 -2.607 -24.071 9.038 1.00 4.24 C ATOM 1624 O GLY A 109 -2.381 -23.396 8.035 1.00 2.23 O ATOM 0 H GLY A 109 -1.209 -21.917 10.026 1.00 35.13 H new ATOM 0 HA2 GLY A 109 -1.187 -24.862 10.457 1.00 60.04 H new ATOM 0 HA3 GLY A 109 -2.353 -23.757 11.158 1.00 60.04 H new