USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 684 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 98 THR OG1 : rot 131:sc= -0.134 USER MOD Set 1.2: A 125 THR OG1 : rot 23:sc= 0.929 USER MOD Single : A 43 MET CE :methyl -162:sc= -0.226 (180deg=-0.787) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= -0.0329 (180deg=-0.402) USER MOD Single : A 51 HIS : no HE2:sc= -0.186 X(o=-0.19,f=-0.28) USER MOD Single : A 52 THR OG1 : rot 42:sc= 0.125 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.309 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -150:sc= -0.832 (180deg=-1.34) USER MOD Single : A 80 LYS NZ :NH3+ 173:sc= 1.01 (180deg=0.93) USER MOD Single : A 82 ASN : amide:sc= -0.367 K(o=-0.37,f=-4.1!) USER MOD Single : A 83 THR OG1 : rot 150:sc= 0.168 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -171:sc= 0.395 (180deg=0.181) USER MOD Single : A 86 THR OG1 : rot -90:sc= 0.151 USER MOD Single : A 91 TYR OH : rot -179:sc= 0.73 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= 0.716 (180deg=0.59) USER MOD Single : A 117 THR OG1 : rot 10:sc= 0.489 USER MOD Single : A 119 LYS NZ :NH3+ -147:sc= -2.41! (180deg=-4.21!) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 124 MET CE :methyl -157:sc= -0.0444 (180deg=-1.45) USER MOD Single : A 126 LYS NZ :NH3+ -175:sc= 0.506 (180deg=0.499) USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 43 -20.065 21.828 2.004 1.00 0.00 N ATOM 2 CA MET A 43 -20.301 20.946 3.174 1.00 0.00 C ATOM 3 C MET A 43 -19.910 19.491 2.858 1.00 0.00 C ATOM 4 O MET A 43 -19.376 18.790 3.715 1.00 0.00 O ATOM 5 CB MET A 43 -21.787 21.029 3.600 1.00 0.00 C ATOM 6 CG MET A 43 -22.260 22.419 4.040 1.00 0.00 C ATOM 7 SD MET A 43 -24.033 22.459 4.403 1.00 0.00 S ATOM 8 CE MET A 43 -24.747 22.012 2.808 1.00 0.00 C ATOM 0 HA MET A 43 -19.674 21.287 3.998 1.00 0.00 H new ATOM 0 HB2 MET A 43 -22.407 20.698 2.767 1.00 0.00 H new ATOM 0 HB3 MET A 43 -21.954 20.329 4.419 1.00 0.00 H new ATOM 0 HG2 MET A 43 -21.703 22.726 4.925 1.00 0.00 H new ATOM 0 HG3 MET A 43 -22.036 23.142 3.256 1.00 0.00 H new ATOM 0 HE1 MET A 43 -25.798 22.301 2.786 1.00 0.00 H new ATOM 0 HE2 MET A 43 -24.211 22.529 2.012 1.00 0.00 H new ATOM 0 HE3 MET A 43 -24.664 20.935 2.661 1.00 0.00 H new ATOM 20 N ALA A 44 -20.163 19.047 1.611 1.00 0.00 N ATOM 21 CA ALA A 44 -19.945 17.642 1.181 1.00 0.00 C ATOM 22 C ALA A 44 -18.502 17.393 0.677 1.00 0.00 C ATOM 23 O ALA A 44 -18.249 16.394 -0.006 1.00 0.00 O ATOM 24 CB ALA A 44 -20.980 17.276 0.094 1.00 0.00 C ATOM 0 H ALA A 44 -20.524 19.648 0.870 1.00 0.00 H new ATOM 0 HA ALA A 44 -20.080 16.998 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -20.824 16.245 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -21.986 17.382 0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -20.861 17.942 -0.761 1.00 0.00 H new ATOM 30 N THR A 45 -17.559 18.285 1.038 1.00 0.00 N ATOM 31 CA THR A 45 -16.137 18.159 0.661 1.00 0.00 C ATOM 32 C THR A 45 -15.480 16.918 1.334 1.00 0.00 C ATOM 33 O THR A 45 -15.490 16.830 2.570 1.00 0.00 O ATOM 34 CB THR A 45 -15.353 19.462 1.042 1.00 0.00 C ATOM 35 OG1 THR A 45 -15.972 20.587 0.404 1.00 0.00 O ATOM 36 CG2 THR A 45 -13.872 19.414 0.626 1.00 0.00 C ATOM 0 H THR A 45 -17.761 19.113 1.599 1.00 0.00 H new ATOM 0 HA THR A 45 -16.089 18.020 -0.419 1.00 0.00 H new ATOM 0 HB THR A 45 -15.388 19.550 2.128 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.487 21.405 0.640 1.00 0.00 H new ATOM 0 HG21 THR A 45 -13.382 20.344 0.916 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.382 18.576 1.121 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.801 19.289 -0.454 1.00 0.00 H new ATOM 44 N PRO A 46 -14.958 15.922 0.525 1.00 0.00 N ATOM 45 CA PRO A 46 -14.200 14.754 1.048 1.00 0.00 C ATOM 46 C PRO A 46 -12.943 15.169 1.848 1.00 0.00 C ATOM 47 O PRO A 46 -11.859 15.352 1.282 1.00 0.00 O ATOM 48 CB PRO A 46 -13.816 13.950 -0.233 1.00 0.00 C ATOM 49 CG PRO A 46 -14.816 14.382 -1.258 1.00 0.00 C ATOM 50 CD PRO A 46 -15.112 15.835 -0.955 1.00 0.00 C ATOM 0 HA PRO A 46 -14.792 14.173 1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -12.798 14.174 -0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.866 12.875 -0.057 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -14.418 14.265 -2.266 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -15.721 13.778 -1.201 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -14.420 16.501 -1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.117 16.114 -1.271 1.00 0.00 H new ATOM 58 N GLN A 47 -13.107 15.313 3.176 1.00 0.00 N ATOM 59 CA GLN A 47 -12.023 15.707 4.108 1.00 0.00 C ATOM 60 C GLN A 47 -11.243 14.463 4.602 1.00 0.00 C ATOM 61 O GLN A 47 -10.789 14.387 5.756 1.00 0.00 O ATOM 62 CB GLN A 47 -12.624 16.525 5.291 1.00 0.00 C ATOM 63 CG GLN A 47 -13.735 15.809 6.081 1.00 0.00 C ATOM 64 CD GLN A 47 -14.266 16.631 7.250 1.00 0.00 C ATOM 65 OE1 GLN A 47 -13.799 16.510 8.380 1.00 0.00 O ATOM 66 NE2 GLN A 47 -15.226 17.493 6.980 1.00 0.00 N ATOM 0 H GLN A 47 -14.002 15.159 3.641 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.308 16.341 3.584 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.819 16.784 5.979 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -13.023 17.461 4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -14.558 15.575 5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -13.351 14.861 6.457 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -15.592 17.568 6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -15.603 18.085 7.720 1.00 0.00 H new ATOM 75 N ASP A 48 -11.019 13.517 3.667 1.00 0.00 N ATOM 76 CA ASP A 48 -10.314 12.249 3.928 1.00 0.00 C ATOM 77 C ASP A 48 -8.789 12.442 4.061 1.00 0.00 C ATOM 78 O ASP A 48 -8.054 11.472 4.263 1.00 0.00 O ATOM 79 CB ASP A 48 -10.660 11.224 2.822 1.00 0.00 C ATOM 80 CG ASP A 48 -12.146 10.842 2.851 1.00 0.00 C ATOM 81 OD1 ASP A 48 -12.550 10.101 3.778 1.00 0.00 O ATOM 82 OD2 ASP A 48 -12.918 11.310 1.984 1.00 0.00 O ATOM 0 H ASP A 48 -11.327 13.615 2.699 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.656 11.864 4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.410 11.642 1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.051 10.329 2.951 1.00 0.00 H new ATOM 87 N LYS A 49 -8.338 13.704 3.949 1.00 0.00 N ATOM 88 CA LYS A 49 -6.959 14.111 4.277 1.00 0.00 C ATOM 89 C LYS A 49 -6.703 13.910 5.783 1.00 0.00 C ATOM 90 O LYS A 49 -5.619 13.492 6.193 1.00 0.00 O ATOM 91 CB LYS A 49 -6.743 15.598 3.910 1.00 0.00 C ATOM 92 CG LYS A 49 -7.059 15.968 2.448 1.00 0.00 C ATOM 93 CD LYS A 49 -6.184 15.201 1.428 1.00 0.00 C ATOM 94 CE LYS A 49 -6.309 15.768 0.008 1.00 0.00 C ATOM 95 NZ LYS A 49 -5.858 17.186 -0.058 1.00 0.00 N ATOM 0 H LYS A 49 -8.923 14.475 3.627 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.263 13.497 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.363 16.210 4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.705 15.859 4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.110 15.761 2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.913 17.039 2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.141 15.244 1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.473 14.150 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.716 15.165 -0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.346 15.700 -0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.648 17.438 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.609 17.806 0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.001 17.305 0.519 1.00 0.00 H new ATOM 109 N LEU A 50 -7.733 14.218 6.586 1.00 0.00 N ATOM 110 CA LEU A 50 -7.706 14.045 8.050 1.00 0.00 C ATOM 111 C LEU A 50 -8.101 12.599 8.433 1.00 0.00 C ATOM 112 O LEU A 50 -7.709 12.105 9.495 1.00 0.00 O ATOM 113 CB LEU A 50 -8.676 15.058 8.722 1.00 0.00 C ATOM 114 CG LEU A 50 -8.460 16.568 8.372 1.00 0.00 C ATOM 115 CD1 LEU A 50 -9.512 17.465 9.067 1.00 0.00 C ATOM 116 CD2 LEU A 50 -7.020 17.029 8.696 1.00 0.00 C ATOM 0 H LEU A 50 -8.614 14.596 6.238 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.692 14.232 8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.696 14.787 8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.594 14.943 9.803 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.598 16.674 7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.333 18.507 8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.511 17.174 8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.434 17.346 10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.909 18.083 8.439 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.825 16.892 9.760 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.310 16.438 8.118 1.00 0.00 H new ATOM 128 N HIS A 51 -8.889 11.937 7.559 1.00 0.00 N ATOM 129 CA HIS A 51 -9.440 10.591 7.826 1.00 0.00 C ATOM 130 C HIS A 51 -8.428 9.502 7.432 1.00 0.00 C ATOM 131 O HIS A 51 -8.092 9.362 6.251 1.00 0.00 O ATOM 132 CB HIS A 51 -10.773 10.359 7.054 1.00 0.00 C ATOM 133 CG HIS A 51 -11.888 11.306 7.401 1.00 0.00 C ATOM 134 ND1 HIS A 51 -13.056 11.393 6.674 1.00 0.00 N ATOM 135 CD2 HIS A 51 -12.018 12.197 8.415 1.00 0.00 C ATOM 136 CE1 HIS A 51 -13.850 12.294 7.226 1.00 0.00 C ATOM 137 NE2 HIS A 51 -13.238 12.788 8.281 1.00 0.00 N ATOM 0 H HIS A 51 -9.160 12.318 6.653 1.00 0.00 H new ATOM 0 HA HIS A 51 -9.641 10.530 8.896 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -10.573 10.435 5.985 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -11.111 9.340 7.243 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -13.274 10.847 5.840 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -11.289 12.400 9.186 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -14.831 12.576 6.873 1.00 0.00 H new ATOM 146 N THR A 52 -7.942 8.751 8.439 1.00 0.00 N ATOM 147 CA THR A 52 -7.063 7.591 8.255 1.00 0.00 C ATOM 148 C THR A 52 -7.880 6.284 8.431 1.00 0.00 C ATOM 149 O THR A 52 -8.325 5.957 9.537 1.00 0.00 O ATOM 150 CB THR A 52 -5.853 7.650 9.255 1.00 0.00 C ATOM 151 OG1 THR A 52 -6.319 7.876 10.594 1.00 0.00 O ATOM 152 CG2 THR A 52 -4.844 8.749 8.876 1.00 0.00 C ATOM 0 H THR A 52 -8.156 8.941 9.418 1.00 0.00 H new ATOM 0 HA THR A 52 -6.653 7.607 7.245 1.00 0.00 H new ATOM 0 HB THR A 52 -5.346 6.687 9.197 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.112 7.325 10.762 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.024 8.754 9.594 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.451 8.554 7.878 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.341 9.719 8.887 1.00 0.00 H new ATOM 160 N VAL A 53 -8.108 5.565 7.312 1.00 0.00 N ATOM 161 CA VAL A 53 -8.868 4.300 7.264 1.00 0.00 C ATOM 162 C VAL A 53 -7.878 3.135 7.216 1.00 0.00 C ATOM 163 O VAL A 53 -6.918 3.173 6.453 1.00 0.00 O ATOM 164 CB VAL A 53 -9.820 4.241 6.005 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.585 2.888 5.907 1.00 0.00 C ATOM 166 CG2 VAL A 53 -10.810 5.429 6.006 1.00 0.00 C ATOM 0 H VAL A 53 -7.761 5.855 6.398 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.494 4.235 8.154 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.185 4.317 5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.226 2.896 5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.869 2.070 5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.196 2.750 6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.455 5.366 5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.420 5.393 6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.254 6.366 5.981 1.00 0.00 H new ATOM 176 N ARG A 54 -8.119 2.113 8.033 1.00 0.00 N ATOM 177 CA ARG A 54 -7.215 0.966 8.168 1.00 0.00 C ATOM 178 C ARG A 54 -7.708 -0.182 7.268 1.00 0.00 C ATOM 179 O ARG A 54 -8.736 -0.808 7.552 1.00 0.00 O ATOM 180 CB ARG A 54 -7.143 0.548 9.660 1.00 0.00 C ATOM 181 CG ARG A 54 -5.885 -0.258 10.029 1.00 0.00 C ATOM 182 CD ARG A 54 -5.780 -0.499 11.544 1.00 0.00 C ATOM 183 NE ARG A 54 -4.459 -1.041 11.916 1.00 0.00 N ATOM 184 CZ ARG A 54 -3.427 -0.303 12.348 1.00 0.00 C ATOM 185 NH1 ARG A 54 -3.478 1.018 12.327 1.00 0.00 N ATOM 186 NH2 ARG A 54 -2.326 -0.905 12.755 1.00 0.00 N ATOM 0 H ARG A 54 -8.949 2.053 8.624 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.208 1.230 7.845 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.181 1.444 10.279 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.025 -0.045 9.903 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.903 -1.216 9.510 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.999 0.275 9.684 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.953 0.437 12.075 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.560 -1.192 11.858 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.321 -2.049 11.839 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.312 1.491 11.978 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.684 1.564 12.660 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.266 -1.923 12.739 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.535 -0.352 13.086 1.00 0.00 H new ATOM 200 N LEU A 55 -6.979 -0.429 6.172 1.00 0.00 N ATOM 201 CA LEU A 55 -7.329 -1.444 5.159 1.00 0.00 C ATOM 202 C LEU A 55 -6.209 -2.508 5.154 1.00 0.00 C ATOM 203 O LEU A 55 -5.033 -2.174 5.306 1.00 0.00 O ATOM 204 CB LEU A 55 -7.519 -0.737 3.768 1.00 0.00 C ATOM 205 CG LEU A 55 -8.432 -1.450 2.698 1.00 0.00 C ATOM 206 CD1 LEU A 55 -8.782 -0.483 1.551 1.00 0.00 C ATOM 207 CD2 LEU A 55 -7.802 -2.742 2.121 1.00 0.00 C ATOM 0 H LEU A 55 -6.118 0.074 5.957 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.270 -1.946 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.930 0.256 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.532 -0.597 3.326 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.341 -1.744 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.412 -0.994 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.316 0.379 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.866 -0.148 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.481 -3.183 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.856 -2.501 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.626 -3.453 2.928 1.00 0.00 H new ATOM 219 N PHE A 56 -6.590 -3.787 5.006 1.00 0.00 N ATOM 220 CA PHE A 56 -5.679 -4.945 5.162 1.00 0.00 C ATOM 221 C PHE A 56 -5.639 -5.758 3.850 1.00 0.00 C ATOM 222 O PHE A 56 -6.674 -5.891 3.176 1.00 0.00 O ATOM 223 CB PHE A 56 -6.178 -5.860 6.320 1.00 0.00 C ATOM 224 CG PHE A 56 -6.455 -5.135 7.643 1.00 0.00 C ATOM 225 CD1 PHE A 56 -7.678 -4.500 7.874 1.00 0.00 C ATOM 226 CD2 PHE A 56 -5.497 -5.083 8.651 1.00 0.00 C ATOM 227 CE1 PHE A 56 -7.928 -3.846 9.059 1.00 0.00 C ATOM 228 CE2 PHE A 56 -5.752 -4.427 9.838 1.00 0.00 C ATOM 229 CZ PHE A 56 -6.965 -3.810 10.040 1.00 0.00 C ATOM 0 H PHE A 56 -7.546 -4.054 4.773 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.679 -4.579 5.395 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.091 -6.362 5.999 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.433 -6.636 6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.440 -4.523 7.109 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.541 -5.563 8.502 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.880 -3.361 9.218 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.998 -4.398 10.610 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.161 -3.297 10.970 1.00 0.00 H new ATOM 239 N GLY A 57 -4.462 -6.304 3.498 1.00 0.00 N ATOM 240 CA GLY A 57 -4.327 -7.155 2.311 1.00 0.00 C ATOM 241 C GLY A 57 -2.913 -7.684 2.136 1.00 0.00 C ATOM 242 O GLY A 57 -2.124 -7.696 3.083 1.00 0.00 O ATOM 0 H GLY A 57 -3.595 -6.170 4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.019 -7.994 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.612 -6.587 1.425 1.00 0.00 H new ATOM 246 N THR A 58 -2.608 -8.146 0.911 1.00 0.00 N ATOM 247 CA THR A 58 -1.273 -8.633 0.523 1.00 0.00 C ATOM 248 C THR A 58 -0.849 -7.975 -0.816 1.00 0.00 C ATOM 249 O THR A 58 -1.668 -7.802 -1.714 1.00 0.00 O ATOM 250 CB THR A 58 -1.292 -10.196 0.402 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.975 -10.746 1.543 1.00 0.00 O ATOM 252 CG2 THR A 58 0.121 -10.802 0.339 1.00 0.00 C ATOM 0 H THR A 58 -3.290 -8.192 0.154 1.00 0.00 H new ATOM 0 HA THR A 58 -0.545 -8.360 1.287 1.00 0.00 H new ATOM 0 HB THR A 58 -1.803 -10.444 -0.528 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.993 -11.723 1.474 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.048 -11.886 0.256 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.648 -10.406 -0.529 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.668 -10.544 1.245 1.00 0.00 H new ATOM 260 N VAL A 59 0.437 -7.605 -0.923 1.00 0.00 N ATOM 261 CA VAL A 59 0.992 -6.840 -2.065 1.00 0.00 C ATOM 262 C VAL A 59 1.155 -7.725 -3.312 1.00 0.00 C ATOM 263 O VAL A 59 1.707 -8.820 -3.225 1.00 0.00 O ATOM 264 CB VAL A 59 2.388 -6.225 -1.681 1.00 0.00 C ATOM 265 CG1 VAL A 59 3.025 -5.439 -2.856 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.265 -5.343 -0.420 1.00 0.00 C ATOM 0 H VAL A 59 1.134 -7.829 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 59 0.287 -6.042 -2.297 1.00 0.00 H new ATOM 0 HB VAL A 59 3.059 -7.054 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.987 -5.033 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.172 -6.108 -3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.365 -4.623 -3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.241 -4.927 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.562 -4.532 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.905 -5.947 0.413 1.00 0.00 H new ATOM 276 N ALA A 60 0.677 -7.231 -4.461 1.00 0.00 N ATOM 277 CA ALA A 60 0.853 -7.896 -5.757 1.00 0.00 C ATOM 278 C ALA A 60 2.085 -7.345 -6.495 1.00 0.00 C ATOM 279 O ALA A 60 2.497 -6.199 -6.279 1.00 0.00 O ATOM 280 CB ALA A 60 -0.402 -7.707 -6.613 1.00 0.00 C ATOM 0 H ALA A 60 0.156 -6.356 -4.518 1.00 0.00 H new ATOM 0 HA ALA A 60 1.011 -8.960 -5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.265 -8.203 -7.574 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.261 -8.140 -6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.575 -6.643 -6.775 1.00 0.00 H new ATOM 286 N ALA A 61 2.653 -8.179 -7.376 1.00 0.00 N ATOM 287 CA ALA A 61 3.782 -7.802 -8.244 1.00 0.00 C ATOM 288 C ALA A 61 3.283 -7.069 -9.499 1.00 0.00 C ATOM 289 O ALA A 61 3.918 -6.116 -9.965 1.00 0.00 O ATOM 290 CB ALA A 61 4.574 -9.055 -8.641 1.00 0.00 C ATOM 0 H ALA A 61 2.342 -9.141 -7.509 1.00 0.00 H new ATOM 0 HA ALA A 61 4.435 -7.126 -7.692 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.408 -8.770 -9.283 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.956 -9.543 -7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.921 -9.743 -9.178 1.00 0.00 H new ATOM 296 N ASP A 62 2.118 -7.508 -10.020 1.00 0.00 N ATOM 297 CA ASP A 62 1.564 -7.012 -11.297 1.00 0.00 C ATOM 298 C ASP A 62 0.852 -5.664 -11.071 1.00 0.00 C ATOM 299 O ASP A 62 -0.377 -5.607 -10.954 1.00 0.00 O ATOM 300 CB ASP A 62 0.582 -8.057 -11.920 1.00 0.00 C ATOM 301 CG ASP A 62 1.229 -9.426 -12.220 1.00 0.00 C ATOM 302 OD1 ASP A 62 1.924 -9.556 -13.251 1.00 0.00 O ATOM 303 OD2 ASP A 62 1.045 -10.375 -11.424 1.00 0.00 O ATOM 0 H ASP A 62 1.537 -8.214 -9.569 1.00 0.00 H new ATOM 0 HA ASP A 62 2.384 -6.864 -11.999 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.256 -8.204 -11.238 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.173 -7.650 -12.845 1.00 0.00 H new ATOM 308 N GLY A 63 1.643 -4.585 -10.968 1.00 0.00 N ATOM 309 CA GLY A 63 1.122 -3.239 -10.695 1.00 0.00 C ATOM 310 C GLY A 63 1.967 -2.465 -9.687 1.00 0.00 C ATOM 311 O GLY A 63 1.637 -1.319 -9.350 1.00 0.00 O ATOM 0 H GLY A 63 2.657 -4.622 -11.071 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.075 -2.678 -11.628 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.102 -3.320 -10.320 1.00 0.00 H new ATOM 315 N LEU A 64 3.063 -3.096 -9.205 1.00 0.00 N ATOM 316 CA LEU A 64 3.983 -2.489 -8.227 1.00 0.00 C ATOM 317 C LEU A 64 4.912 -1.498 -8.967 1.00 0.00 C ATOM 318 O LEU A 64 5.930 -1.885 -9.549 1.00 0.00 O ATOM 319 CB LEU A 64 4.771 -3.606 -7.455 1.00 0.00 C ATOM 320 CG LEU A 64 5.437 -3.200 -6.084 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.813 -4.449 -5.251 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.682 -2.292 -6.270 1.00 0.00 C ATOM 0 H LEU A 64 3.330 -4.039 -9.486 1.00 0.00 H new ATOM 0 HA LEU A 64 3.429 -1.930 -7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.087 -4.433 -7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.554 -3.983 -8.113 1.00 0.00 H new ATOM 0 HG LEU A 64 4.688 -2.623 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.270 -4.136 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.915 -5.031 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.519 -5.061 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.100 -2.043 -5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.431 -2.818 -6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.391 -1.376 -6.784 1.00 0.00 H new ATOM 334 N THR A 65 4.502 -0.229 -8.962 1.00 0.00 N ATOM 335 CA THR A 65 5.243 0.891 -9.556 1.00 0.00 C ATOM 336 C THR A 65 5.940 1.713 -8.452 1.00 0.00 C ATOM 337 O THR A 65 5.277 2.384 -7.669 1.00 0.00 O ATOM 338 CB THR A 65 4.264 1.797 -10.372 1.00 0.00 C ATOM 339 OG1 THR A 65 3.631 1.005 -11.384 1.00 0.00 O ATOM 340 CG2 THR A 65 4.961 3.002 -11.030 1.00 0.00 C ATOM 0 H THR A 65 3.622 0.059 -8.534 1.00 0.00 H new ATOM 0 HA THR A 65 6.006 0.498 -10.228 1.00 0.00 H new ATOM 0 HB THR A 65 3.533 2.198 -9.670 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.014 1.565 -11.899 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.227 3.590 -11.581 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.419 3.622 -10.260 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.730 2.647 -11.716 1.00 0.00 H new ATOM 348 N MET A 66 7.277 1.649 -8.399 1.00 0.00 N ATOM 349 CA MET A 66 8.090 2.453 -7.465 1.00 0.00 C ATOM 350 C MET A 66 8.238 3.861 -8.061 1.00 0.00 C ATOM 351 O MET A 66 8.802 4.001 -9.150 1.00 0.00 O ATOM 352 CB MET A 66 9.484 1.798 -7.242 1.00 0.00 C ATOM 353 CG MET A 66 9.480 0.525 -6.379 1.00 0.00 C ATOM 354 SD MET A 66 9.098 0.887 -4.652 1.00 0.00 S ATOM 355 CE MET A 66 9.339 -0.714 -3.882 1.00 0.00 C ATOM 0 H MET A 66 7.830 1.039 -9.001 1.00 0.00 H new ATOM 0 HA MET A 66 7.601 2.507 -6.492 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.914 1.557 -8.214 1.00 0.00 H new ATOM 0 HB3 MET A 66 10.142 2.532 -6.776 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.747 -0.179 -6.773 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.454 0.040 -6.442 1.00 0.00 H new ATOM 0 HE1 MET A 66 8.677 -0.807 -3.021 1.00 0.00 H new ATOM 0 HE2 MET A 66 9.112 -1.501 -4.601 1.00 0.00 H new ATOM 0 HE3 MET A 66 10.375 -0.809 -3.556 1.00 0.00 H new ATOM 365 N LEU A 67 7.715 4.884 -7.353 1.00 0.00 N ATOM 366 CA LEU A 67 7.637 6.267 -7.871 1.00 0.00 C ATOM 367 C LEU A 67 9.049 6.819 -8.217 1.00 0.00 C ATOM 368 O LEU A 67 9.945 6.829 -7.365 1.00 0.00 O ATOM 369 CB LEU A 67 6.899 7.180 -6.853 1.00 0.00 C ATOM 370 CG LEU A 67 5.442 6.745 -6.455 1.00 0.00 C ATOM 371 CD1 LEU A 67 4.795 7.760 -5.484 1.00 0.00 C ATOM 372 CD2 LEU A 67 4.556 6.493 -7.702 1.00 0.00 C ATOM 0 H LEU A 67 7.337 4.776 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 67 7.062 6.258 -8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.500 7.235 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.854 8.187 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 67 5.519 5.795 -5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.788 7.429 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.395 7.829 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.745 8.739 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.557 6.194 -7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.491 7.407 -8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.996 5.700 -8.307 1.00 0.00 H new ATOM 384 N ASP A 68 9.218 7.258 -9.485 1.00 0.00 N ATOM 385 CA ASP A 68 10.526 7.657 -10.056 1.00 0.00 C ATOM 386 C ASP A 68 10.990 8.988 -9.451 1.00 0.00 C ATOM 387 O ASP A 68 10.491 10.055 -9.827 1.00 0.00 O ATOM 388 CB ASP A 68 10.436 7.789 -11.605 1.00 0.00 C ATOM 389 CG ASP A 68 10.060 6.483 -12.312 1.00 0.00 C ATOM 390 OD1 ASP A 68 10.953 5.648 -12.545 1.00 0.00 O ATOM 391 OD2 ASP A 68 8.865 6.291 -12.639 1.00 0.00 O ATOM 0 H ASP A 68 8.446 7.346 -10.146 1.00 0.00 H new ATOM 0 HA ASP A 68 11.251 6.881 -9.812 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.699 8.552 -11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.396 8.136 -11.988 1.00 0.00 H new ATOM 396 N GLY A 69 11.900 8.915 -8.464 1.00 0.00 N ATOM 397 CA GLY A 69 12.423 10.103 -7.789 1.00 0.00 C ATOM 398 C GLY A 69 11.525 10.587 -6.651 1.00 0.00 C ATOM 399 O GLY A 69 12.021 11.065 -5.627 1.00 0.00 O ATOM 0 H GLY A 69 12.287 8.037 -8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.414 9.882 -7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.542 10.905 -8.517 1.00 0.00 H new ATOM 403 N ALA A 70 10.196 10.480 -6.845 1.00 0.00 N ATOM 404 CA ALA A 70 9.200 10.814 -5.817 1.00 0.00 C ATOM 405 C ALA A 70 9.225 9.763 -4.684 1.00 0.00 C ATOM 406 O ALA A 70 9.240 8.559 -4.975 1.00 0.00 O ATOM 407 CB ALA A 70 7.800 10.914 -6.449 1.00 0.00 C ATOM 0 H ALA A 70 9.786 10.159 -7.722 1.00 0.00 H new ATOM 0 HA ALA A 70 9.448 11.783 -5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.070 11.162 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.800 11.692 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.537 9.959 -6.904 1.00 0.00 H new ATOM 413 N PRO A 71 9.274 10.193 -3.377 1.00 0.00 N ATOM 414 CA PRO A 71 9.206 9.254 -2.231 1.00 0.00 C ATOM 415 C PRO A 71 7.816 8.582 -2.145 1.00 0.00 C ATOM 416 O PRO A 71 6.798 9.249 -1.921 1.00 0.00 O ATOM 417 CB PRO A 71 9.502 10.158 -0.999 1.00 0.00 C ATOM 418 CG PRO A 71 9.093 11.538 -1.437 1.00 0.00 C ATOM 419 CD PRO A 71 9.416 11.609 -2.917 1.00 0.00 C ATOM 0 HA PRO A 71 9.910 8.426 -2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.936 9.835 -0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.557 10.124 -0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.031 11.707 -1.259 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.635 12.303 -0.880 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.731 12.273 -3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.424 11.987 -3.090 1.00 0.00 H new ATOM 427 N GLY A 72 7.787 7.264 -2.385 1.00 0.00 N ATOM 428 CA GLY A 72 6.562 6.478 -2.276 1.00 0.00 C ATOM 429 C GLY A 72 6.540 5.286 -3.222 1.00 0.00 C ATOM 430 O GLY A 72 7.543 4.981 -3.883 1.00 0.00 O ATOM 0 H GLY A 72 8.607 6.722 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.453 6.124 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.705 7.118 -2.486 1.00 0.00 H new ATOM 434 N VAL A 73 5.376 4.619 -3.293 1.00 0.00 N ATOM 435 CA VAL A 73 5.156 3.452 -4.149 1.00 0.00 C ATOM 436 C VAL A 73 3.652 3.297 -4.462 1.00 0.00 C ATOM 437 O VAL A 73 2.795 3.441 -3.583 1.00 0.00 O ATOM 438 CB VAL A 73 5.725 2.126 -3.500 1.00 0.00 C ATOM 439 CG1 VAL A 73 5.029 1.782 -2.149 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.655 0.940 -4.499 1.00 0.00 C ATOM 0 H VAL A 73 4.554 4.882 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 73 5.701 3.618 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 73 6.775 2.307 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.455 0.864 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.184 2.597 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.961 1.644 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.053 0.042 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.618 0.769 -4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.245 1.175 -5.385 1.00 0.00 H new ATOM 450 N ARG A 74 3.359 3.071 -5.736 1.00 0.00 N ATOM 451 CA ARG A 74 2.060 2.597 -6.203 1.00 0.00 C ATOM 452 C ARG A 74 2.120 1.060 -6.278 1.00 0.00 C ATOM 453 O ARG A 74 3.159 0.498 -6.632 1.00 0.00 O ATOM 454 CB ARG A 74 1.756 3.174 -7.607 1.00 0.00 C ATOM 455 CG ARG A 74 0.378 2.753 -8.202 1.00 0.00 C ATOM 456 CD ARG A 74 -0.807 3.558 -7.625 1.00 0.00 C ATOM 457 NE ARG A 74 -0.701 4.974 -8.015 1.00 0.00 N ATOM 458 CZ ARG A 74 -1.714 5.756 -8.416 1.00 0.00 C ATOM 459 NH1 ARG A 74 -2.971 5.329 -8.379 1.00 0.00 N ATOM 460 NH2 ARG A 74 -1.446 6.984 -8.844 1.00 0.00 N ATOM 0 H ARG A 74 4.031 3.215 -6.490 1.00 0.00 H new ATOM 0 HA ARG A 74 1.274 2.920 -5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.796 4.262 -7.554 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.543 2.859 -8.292 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.403 2.881 -9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.216 1.692 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.748 3.143 -7.987 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.819 3.473 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 74 0.226 5.398 -7.977 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.181 4.390 -8.041 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.727 5.940 -8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.483 7.318 -8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.204 7.593 -9.153 1.00 0.00 H new ATOM 474 N PHE A 75 1.027 0.399 -5.915 1.00 0.00 N ATOM 475 CA PHE A 75 0.855 -1.052 -6.096 1.00 0.00 C ATOM 476 C PHE A 75 -0.632 -1.384 -6.066 1.00 0.00 C ATOM 477 O PHE A 75 -1.454 -0.495 -5.864 1.00 0.00 O ATOM 478 CB PHE A 75 1.652 -1.872 -5.028 1.00 0.00 C ATOM 479 CG PHE A 75 1.284 -1.620 -3.553 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.749 -0.488 -2.876 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.495 -2.530 -2.838 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.445 -0.278 -1.540 1.00 0.00 C ATOM 483 CE2 PHE A 75 0.197 -2.320 -1.503 1.00 0.00 C ATOM 484 CZ PHE A 75 0.667 -1.195 -0.855 1.00 0.00 C ATOM 0 H PHE A 75 0.223 0.853 -5.482 1.00 0.00 H new ATOM 0 HA PHE A 75 1.265 -1.338 -7.065 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.512 -2.932 -5.238 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.713 -1.659 -5.156 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.355 0.234 -3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.113 -3.409 -3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.815 0.601 -1.034 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.405 -3.038 -0.966 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.428 -1.031 0.185 1.00 0.00 H new ATOM 494 N ARG A 76 -0.981 -2.647 -6.321 1.00 0.00 N ATOM 495 CA ARG A 76 -2.345 -3.142 -6.110 1.00 0.00 C ATOM 496 C ARG A 76 -2.337 -4.101 -4.921 1.00 0.00 C ATOM 497 O ARG A 76 -1.653 -5.133 -4.934 1.00 0.00 O ATOM 498 CB ARG A 76 -2.951 -3.820 -7.368 1.00 0.00 C ATOM 499 CG ARG A 76 -2.008 -4.756 -8.159 1.00 0.00 C ATOM 500 CD ARG A 76 -2.756 -5.906 -8.868 1.00 0.00 C ATOM 501 NE ARG A 76 -3.892 -5.447 -9.695 1.00 0.00 N ATOM 502 CZ ARG A 76 -4.073 -5.727 -10.997 1.00 0.00 C ATOM 503 NH1 ARG A 76 -3.092 -6.253 -11.728 1.00 0.00 N ATOM 504 NH2 ARG A 76 -5.220 -5.410 -11.583 1.00 0.00 N ATOM 0 H ARG A 76 -0.333 -3.350 -6.676 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.987 -2.286 -5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.825 -4.394 -7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.303 -3.039 -8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.464 -4.172 -8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.268 -5.176 -7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.054 -6.451 -9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.122 -6.608 -8.118 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.598 -4.869 -9.239 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.187 -6.449 -11.301 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.246 -6.460 -12.715 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.959 -4.956 -11.046 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.363 -5.620 -12.571 1.00 0.00 H new ATOM 518 N LEU A 77 -3.066 -3.711 -3.884 1.00 0.00 N ATOM 519 CA LEU A 77 -3.273 -4.518 -2.695 1.00 0.00 C ATOM 520 C LEU A 77 -4.362 -5.553 -2.984 1.00 0.00 C ATOM 521 O LEU A 77 -5.535 -5.196 -3.165 1.00 0.00 O ATOM 522 CB LEU A 77 -3.688 -3.616 -1.502 1.00 0.00 C ATOM 523 CG LEU A 77 -3.697 -4.311 -0.118 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.283 -4.793 0.224 1.00 0.00 C ATOM 525 CD2 LEU A 77 -4.261 -3.394 0.986 1.00 0.00 C ATOM 0 H LEU A 77 -3.538 -2.807 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.347 -5.028 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.009 -2.765 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.684 -3.219 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.362 -5.173 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.291 -5.282 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.946 -5.500 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.605 -3.940 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.248 -3.922 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.648 -2.496 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.285 -3.115 0.739 1.00 0.00 H new ATOM 537 N GLU A 78 -3.953 -6.822 -3.074 1.00 0.00 N ATOM 538 CA GLU A 78 -4.876 -7.945 -3.179 1.00 0.00 C ATOM 539 C GLU A 78 -5.550 -8.128 -1.819 1.00 0.00 C ATOM 540 O GLU A 78 -4.934 -8.630 -0.872 1.00 0.00 O ATOM 541 CB GLU A 78 -4.127 -9.231 -3.614 1.00 0.00 C ATOM 542 CG GLU A 78 -3.421 -9.105 -4.973 1.00 0.00 C ATOM 543 CD GLU A 78 -2.731 -10.404 -5.432 1.00 0.00 C ATOM 544 OE1 GLU A 78 -3.374 -11.230 -6.111 1.00 0.00 O ATOM 545 OE2 GLU A 78 -1.543 -10.610 -5.114 1.00 0.00 O ATOM 0 H GLU A 78 -2.970 -7.095 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.631 -7.746 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.389 -9.486 -2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.837 -10.057 -3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.150 -8.805 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.678 -8.310 -4.915 1.00 0.00 H new ATOM 552 N ASP A 79 -6.791 -7.628 -1.723 1.00 0.00 N ATOM 553 CA ASP A 79 -7.609 -7.714 -0.508 1.00 0.00 C ATOM 554 C ASP A 79 -7.821 -9.189 -0.120 1.00 0.00 C ATOM 555 O ASP A 79 -7.954 -10.056 -0.993 1.00 0.00 O ATOM 556 CB ASP A 79 -8.962 -6.983 -0.725 1.00 0.00 C ATOM 557 CG ASP A 79 -9.944 -7.158 0.449 1.00 0.00 C ATOM 558 OD1 ASP A 79 -9.701 -6.585 1.533 1.00 0.00 O ATOM 559 OD2 ASP A 79 -10.945 -7.889 0.302 1.00 0.00 O ATOM 0 H ASP A 79 -7.257 -7.149 -2.494 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.090 -7.222 0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.773 -5.920 -0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.427 -7.357 -1.637 1.00 0.00 H new ATOM 564 N LYS A 80 -7.845 -9.455 1.194 1.00 0.00 N ATOM 565 CA LYS A 80 -7.851 -10.828 1.742 1.00 0.00 C ATOM 566 C LYS A 80 -9.163 -11.585 1.448 1.00 0.00 C ATOM 567 O LYS A 80 -9.206 -12.815 1.566 1.00 0.00 O ATOM 568 CB LYS A 80 -7.574 -10.805 3.268 1.00 0.00 C ATOM 569 CG LYS A 80 -6.220 -10.182 3.683 1.00 0.00 C ATOM 570 CD LYS A 80 -4.996 -10.851 3.014 1.00 0.00 C ATOM 571 CE LYS A 80 -4.867 -12.357 3.310 1.00 0.00 C ATOM 572 NZ LYS A 80 -4.682 -12.630 4.755 1.00 0.00 N ATOM 0 H LYS A 80 -7.861 -8.728 1.910 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.052 -11.370 1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.375 -10.252 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.616 -11.827 3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.226 -9.121 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.115 -10.252 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.060 -10.707 1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.090 -10.346 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.760 -12.873 2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.022 -12.764 2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.719 -13.656 4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.759 -12.262 5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.438 -12.164 5.296 1.00 0.00 H new ATOM 586 N ASP A 81 -10.221 -10.846 1.088 1.00 0.00 N ATOM 587 CA ASP A 81 -11.520 -11.422 0.687 1.00 0.00 C ATOM 588 C ASP A 81 -11.620 -11.491 -0.846 1.00 0.00 C ATOM 589 O ASP A 81 -12.001 -12.528 -1.404 1.00 0.00 O ATOM 590 CB ASP A 81 -12.691 -10.584 1.273 1.00 0.00 C ATOM 591 CG ASP A 81 -14.083 -11.103 0.869 1.00 0.00 C ATOM 592 OD1 ASP A 81 -14.496 -12.169 1.374 1.00 0.00 O ATOM 593 OD2 ASP A 81 -14.753 -10.471 0.030 1.00 0.00 O ATOM 0 H ASP A 81 -10.204 -9.826 1.065 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.590 -12.434 1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.615 -10.580 2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.588 -9.550 0.943 1.00 0.00 H new ATOM 598 N ASN A 82 -11.246 -10.388 -1.524 1.00 0.00 N ATOM 599 CA ASN A 82 -11.440 -10.240 -2.988 1.00 0.00 C ATOM 600 C ASN A 82 -10.132 -9.824 -3.693 1.00 0.00 C ATOM 601 O ASN A 82 -9.497 -8.845 -3.306 1.00 0.00 O ATOM 602 CB ASN A 82 -12.548 -9.190 -3.272 1.00 0.00 C ATOM 603 CG ASN A 82 -12.861 -9.018 -4.771 1.00 0.00 C ATOM 604 OD1 ASN A 82 -12.758 -9.969 -5.551 1.00 0.00 O ATOM 605 ND2 ASN A 82 -13.215 -7.808 -5.191 1.00 0.00 N ATOM 0 H ASN A 82 -10.806 -9.581 -1.083 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.743 -11.209 -3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.459 -9.484 -2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.241 -8.229 -2.860 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.409 -7.648 -6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.293 -7.039 -4.525 1.00 0.00 H new ATOM 612 N THR A 83 -9.750 -10.579 -4.740 1.00 0.00 N ATOM 613 CA THR A 83 -8.618 -10.236 -5.623 1.00 0.00 C ATOM 614 C THR A 83 -9.109 -10.013 -7.070 1.00 0.00 C ATOM 615 O THR A 83 -8.361 -9.494 -7.913 1.00 0.00 O ATOM 616 CB THR A 83 -7.507 -11.333 -5.582 1.00 0.00 C ATOM 617 OG1 THR A 83 -6.331 -10.874 -6.271 1.00 0.00 O ATOM 618 CG2 THR A 83 -7.964 -12.662 -6.206 1.00 0.00 C ATOM 0 H THR A 83 -10.219 -11.447 -4.999 1.00 0.00 H new ATOM 0 HA THR A 83 -8.179 -9.308 -5.256 1.00 0.00 H new ATOM 0 HB THR A 83 -7.287 -11.515 -4.530 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.536 -11.278 -5.865 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.153 -13.388 -6.151 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.828 -13.041 -5.661 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.235 -12.500 -7.249 1.00 0.00 H new ATOM 626 N SER A 84 -10.383 -10.411 -7.346 1.00 0.00 N ATOM 627 CA SER A 84 -11.062 -10.142 -8.641 1.00 0.00 C ATOM 628 C SER A 84 -11.183 -8.617 -8.878 1.00 0.00 C ATOM 629 O SER A 84 -11.293 -8.152 -10.014 1.00 0.00 O ATOM 630 CB SER A 84 -12.453 -10.823 -8.672 1.00 0.00 C ATOM 631 OG SER A 84 -12.349 -12.217 -8.433 1.00 0.00 O ATOM 0 H SER A 84 -10.962 -10.923 -6.681 1.00 0.00 H new ATOM 0 HA SER A 84 -10.462 -10.563 -9.447 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.099 -10.370 -7.920 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.923 -10.652 -9.641 1.00 0.00 H new ATOM 0 HG SER A 84 -13.242 -12.620 -8.457 1.00 0.00 H new ATOM 637 N LYS A 85 -11.142 -7.865 -7.769 1.00 0.00 N ATOM 638 CA LYS A 85 -10.915 -6.425 -7.777 1.00 0.00 C ATOM 639 C LYS A 85 -9.970 -6.109 -6.622 1.00 0.00 C ATOM 640 O LYS A 85 -10.332 -6.288 -5.450 1.00 0.00 O ATOM 641 CB LYS A 85 -12.210 -5.584 -7.644 1.00 0.00 C ATOM 642 CG LYS A 85 -11.943 -4.067 -7.823 1.00 0.00 C ATOM 643 CD LYS A 85 -13.098 -3.161 -7.365 1.00 0.00 C ATOM 644 CE LYS A 85 -12.781 -1.672 -7.611 1.00 0.00 C ATOM 645 NZ LYS A 85 -11.466 -1.261 -7.032 1.00 0.00 N ATOM 0 H LYS A 85 -11.268 -8.251 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.491 -6.154 -8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.934 -5.914 -8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.657 -5.760 -6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.045 -3.800 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.736 -3.868 -8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.009 -3.433 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.290 -3.323 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.778 -1.477 -8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.572 -1.060 -7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.369 -0.227 -7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.417 -1.559 -6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.696 -1.711 -7.566 1.00 0.00 H new ATOM 659 N THR A 86 -8.749 -5.700 -6.964 1.00 0.00 N ATOM 660 CA THR A 86 -7.753 -5.244 -5.996 1.00 0.00 C ATOM 661 C THR A 86 -7.996 -3.759 -5.663 1.00 0.00 C ATOM 662 O THR A 86 -8.645 -3.031 -6.435 1.00 0.00 O ATOM 663 CB THR A 86 -6.304 -5.454 -6.565 1.00 0.00 C ATOM 664 OG1 THR A 86 -6.144 -4.733 -7.801 1.00 0.00 O ATOM 665 CG2 THR A 86 -6.004 -6.944 -6.818 1.00 0.00 C ATOM 0 H THR A 86 -8.421 -5.676 -7.929 1.00 0.00 H new ATOM 0 HA THR A 86 -7.847 -5.830 -5.082 1.00 0.00 H new ATOM 0 HB THR A 86 -5.606 -5.077 -5.817 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.398 -5.310 -8.551 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.993 -7.050 -7.211 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.089 -7.496 -5.882 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.718 -7.341 -7.540 1.00 0.00 H new ATOM 673 N VAL A 87 -7.483 -3.327 -4.512 1.00 0.00 N ATOM 674 CA VAL A 87 -7.498 -1.919 -4.105 1.00 0.00 C ATOM 675 C VAL A 87 -6.120 -1.354 -4.405 1.00 0.00 C ATOM 676 O VAL A 87 -5.139 -1.786 -3.807 1.00 0.00 O ATOM 677 CB VAL A 87 -7.816 -1.743 -2.570 1.00 0.00 C ATOM 678 CG1 VAL A 87 -7.738 -0.245 -2.140 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.192 -2.369 -2.216 1.00 0.00 C ATOM 0 H VAL A 87 -7.043 -3.945 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.283 -1.396 -4.651 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.053 -2.278 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.962 -0.159 -1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.735 0.137 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.462 0.336 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.390 -2.235 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.975 -1.879 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.179 -3.433 -2.452 1.00 0.00 H new ATOM 689 N TRP A 88 -6.044 -0.389 -5.321 1.00 0.00 N ATOM 690 CA TRP A 88 -4.768 0.224 -5.710 1.00 0.00 C ATOM 691 C TRP A 88 -4.356 1.221 -4.631 1.00 0.00 C ATOM 692 O TRP A 88 -5.168 2.012 -4.183 1.00 0.00 O ATOM 693 CB TRP A 88 -4.883 0.887 -7.107 1.00 0.00 C ATOM 694 CG TRP A 88 -4.968 -0.137 -8.215 1.00 0.00 C ATOM 695 CD1 TRP A 88 -6.076 -0.825 -8.630 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.883 -0.609 -9.023 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.739 -1.691 -9.641 1.00 0.00 N ATOM 698 CE2 TRP A 88 -4.398 -1.582 -9.894 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.520 -0.305 -9.080 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.601 -2.248 -10.819 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.731 -0.962 -9.999 1.00 0.00 C ATOM 702 CH2 TRP A 88 -2.272 -1.930 -10.856 1.00 0.00 C ATOM 0 H TRP A 88 -6.854 -0.011 -5.812 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.994 -0.539 -5.792 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.767 1.524 -7.134 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -4.020 1.531 -7.274 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -7.069 -0.705 -8.222 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.384 -2.315 -10.126 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -2.093 0.432 -8.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -4.017 -2.990 -11.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.679 -0.727 -10.060 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.626 -2.435 -11.559 1.00 0.00 H new ATOM 713 N VAL A 89 -3.113 1.128 -4.181 1.00 0.00 N ATOM 714 CA VAL A 89 -2.594 1.929 -3.086 1.00 0.00 C ATOM 715 C VAL A 89 -1.509 2.863 -3.613 1.00 0.00 C ATOM 716 O VAL A 89 -0.493 2.407 -4.147 1.00 0.00 O ATOM 717 CB VAL A 89 -2.010 1.016 -1.960 1.00 0.00 C ATOM 718 CG1 VAL A 89 -1.543 1.850 -0.739 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.030 -0.069 -1.544 1.00 0.00 C ATOM 0 H VAL A 89 -2.427 0.483 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.409 2.515 -2.662 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.132 0.512 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.143 1.184 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.769 2.551 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.389 2.403 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.600 -0.691 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.937 0.408 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.273 -0.689 -2.407 1.00 0.00 H new ATOM 729 N LEU A 90 -1.759 4.164 -3.498 1.00 0.00 N ATOM 730 CA LEU A 90 -0.764 5.194 -3.759 1.00 0.00 C ATOM 731 C LEU A 90 -0.206 5.657 -2.403 1.00 0.00 C ATOM 732 O LEU A 90 -0.771 6.530 -1.740 1.00 0.00 O ATOM 733 CB LEU A 90 -1.404 6.365 -4.556 1.00 0.00 C ATOM 734 CG LEU A 90 -0.459 7.551 -4.942 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.798 7.068 -5.701 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.241 8.620 -5.743 1.00 0.00 C ATOM 0 H LEU A 90 -2.667 4.534 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 90 0.052 4.808 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.832 5.959 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.230 6.765 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.101 8.010 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.425 7.925 -5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.360 6.377 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.497 6.561 -6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.572 9.440 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.641 8.173 -6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.062 9.002 -5.136 1.00 0.00 H new ATOM 748 N TYR A 91 0.885 5.009 -1.991 1.00 0.00 N ATOM 749 CA TYR A 91 1.621 5.363 -0.772 1.00 0.00 C ATOM 750 C TYR A 91 2.625 6.462 -1.121 1.00 0.00 C ATOM 751 O TYR A 91 3.401 6.308 -2.058 1.00 0.00 O ATOM 752 CB TYR A 91 2.351 4.125 -0.173 1.00 0.00 C ATOM 753 CG TYR A 91 3.241 4.456 1.044 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.695 5.052 2.184 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.617 4.195 1.047 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.482 5.378 3.270 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.404 4.514 2.137 1.00 0.00 C ATOM 758 CZ TYR A 91 4.834 5.107 3.244 1.00 0.00 C ATOM 759 OH TYR A 91 5.613 5.429 4.336 1.00 0.00 O ATOM 0 H TYR A 91 1.287 4.219 -2.496 1.00 0.00 H new ATOM 0 HA TYR A 91 0.921 5.719 -0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.608 3.384 0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.966 3.667 -0.948 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.636 5.262 2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.071 3.736 0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.040 5.844 4.138 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.462 4.300 2.122 1.00 0.00 H new ATOM 0 HH TYR A 91 6.546 5.188 4.155 1.00 0.00 H new ATOM 769 N LYS A 92 2.558 7.595 -0.415 1.00 0.00 N ATOM 770 CA LYS A 92 3.568 8.664 -0.503 1.00 0.00 C ATOM 771 C LYS A 92 4.335 8.765 0.828 1.00 0.00 C ATOM 772 O LYS A 92 3.731 8.925 1.892 1.00 0.00 O ATOM 773 CB LYS A 92 2.864 9.995 -0.866 1.00 0.00 C ATOM 774 CG LYS A 92 2.148 9.959 -2.233 1.00 0.00 C ATOM 775 CD LYS A 92 1.382 11.260 -2.541 1.00 0.00 C ATOM 776 CE LYS A 92 0.698 11.213 -3.910 1.00 0.00 C ATOM 777 NZ LYS A 92 -0.089 12.436 -4.187 1.00 0.00 N ATOM 0 H LYS A 92 1.801 7.801 0.237 1.00 0.00 H new ATOM 0 HA LYS A 92 4.294 8.438 -1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.137 10.236 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.602 10.797 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.883 9.781 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.452 9.120 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.633 11.432 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.072 12.103 -2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.452 11.085 -4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.042 10.343 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.533 12.358 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.827 12.546 -3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.539 13.265 -4.170 1.00 0.00 H new ATOM 791 N GLY A 93 5.666 8.627 0.745 1.00 0.00 N ATOM 792 CA GLY A 93 6.559 8.662 1.905 1.00 0.00 C ATOM 793 C GLY A 93 7.685 7.649 1.760 1.00 0.00 C ATOM 794 O GLY A 93 7.812 7.002 0.712 1.00 0.00 O ATOM 0 H GLY A 93 6.155 8.487 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.978 9.662 2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.991 8.452 2.811 1.00 0.00 H new ATOM 798 N ALA A 94 8.510 7.514 2.808 1.00 0.00 N ATOM 799 CA ALA A 94 9.623 6.547 2.839 1.00 0.00 C ATOM 800 C ALA A 94 9.074 5.104 2.927 1.00 0.00 C ATOM 801 O ALA A 94 8.409 4.745 3.907 1.00 0.00 O ATOM 802 CB ALA A 94 10.569 6.867 4.010 1.00 0.00 C ATOM 0 H ALA A 94 8.427 8.070 3.659 1.00 0.00 H new ATOM 0 HA ALA A 94 10.197 6.628 1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.387 6.147 4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.972 7.872 3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.018 6.809 4.949 1.00 0.00 H new ATOM 808 N VAL A 95 9.319 4.316 1.872 1.00 0.00 N ATOM 809 CA VAL A 95 8.878 2.913 1.771 1.00 0.00 C ATOM 810 C VAL A 95 9.869 1.999 2.532 1.00 0.00 C ATOM 811 O VAL A 95 11.083 2.183 2.393 1.00 0.00 O ATOM 812 CB VAL A 95 8.782 2.465 0.258 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.229 1.020 0.112 1.00 0.00 C ATOM 814 CG2 VAL A 95 7.943 3.475 -0.557 1.00 0.00 C ATOM 0 H VAL A 95 9.835 4.636 1.053 1.00 0.00 H new ATOM 0 HA VAL A 95 7.888 2.825 2.218 1.00 0.00 H new ATOM 0 HB VAL A 95 9.794 2.456 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.180 0.754 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.888 0.324 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.231 0.967 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.889 3.149 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.937 3.531 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.411 4.458 -0.510 1.00 0.00 H new ATOM 824 N PRO A 96 9.379 1.039 3.383 1.00 0.00 N ATOM 825 CA PRO A 96 10.255 0.043 4.051 1.00 0.00 C ATOM 826 C PRO A 96 10.872 -0.959 3.045 1.00 0.00 C ATOM 827 O PRO A 96 10.272 -1.244 2.000 1.00 0.00 O ATOM 828 CB PRO A 96 9.292 -0.664 5.045 1.00 0.00 C ATOM 829 CG PRO A 96 7.932 -0.498 4.441 1.00 0.00 C ATOM 830 CD PRO A 96 7.950 0.868 3.789 1.00 0.00 C ATOM 0 HA PRO A 96 11.115 0.501 4.539 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.547 -1.717 5.162 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.343 -0.212 6.035 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.728 -1.280 3.710 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.153 -0.561 5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.280 0.912 2.930 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.633 1.648 4.481 1.00 0.00 H new ATOM 838 N ASP A 97 12.076 -1.481 3.366 1.00 0.00 N ATOM 839 CA ASP A 97 12.741 -2.533 2.555 1.00 0.00 C ATOM 840 C ASP A 97 11.970 -3.868 2.665 1.00 0.00 C ATOM 841 O ASP A 97 12.064 -4.729 1.782 1.00 0.00 O ATOM 842 CB ASP A 97 14.231 -2.721 2.979 1.00 0.00 C ATOM 843 CG ASP A 97 14.413 -3.261 4.415 1.00 0.00 C ATOM 844 OD1 ASP A 97 14.389 -4.498 4.617 1.00 0.00 O ATOM 845 OD2 ASP A 97 14.587 -2.454 5.351 1.00 0.00 O ATOM 0 H ASP A 97 12.612 -1.191 4.184 1.00 0.00 H new ATOM 0 HA ASP A 97 12.731 -2.210 1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.713 -3.405 2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.746 -1.764 2.894 1.00 0.00 H new ATOM 850 N THR A 98 11.180 -3.999 3.744 1.00 0.00 N ATOM 851 CA THR A 98 10.369 -5.189 4.035 1.00 0.00 C ATOM 852 C THR A 98 9.189 -5.306 3.045 1.00 0.00 C ATOM 853 O THR A 98 8.609 -6.387 2.878 1.00 0.00 O ATOM 854 CB THR A 98 9.848 -5.121 5.502 1.00 0.00 C ATOM 855 OG1 THR A 98 9.186 -3.856 5.711 1.00 0.00 O ATOM 856 CG2 THR A 98 10.987 -5.262 6.523 1.00 0.00 C ATOM 0 H THR A 98 11.087 -3.268 4.449 1.00 0.00 H new ATOM 0 HA THR A 98 10.992 -6.076 3.918 1.00 0.00 H new ATOM 0 HB THR A 98 9.157 -5.951 5.650 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.315 -4.008 6.133 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.579 -5.209 7.533 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.485 -6.221 6.383 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.706 -4.456 6.379 1.00 0.00 H new ATOM 864 N PHE A 99 8.854 -4.173 2.396 1.00 0.00 N ATOM 865 CA PHE A 99 7.843 -4.115 1.341 1.00 0.00 C ATOM 866 C PHE A 99 8.366 -4.844 0.088 1.00 0.00 C ATOM 867 O PHE A 99 9.260 -4.351 -0.610 1.00 0.00 O ATOM 868 CB PHE A 99 7.482 -2.643 1.029 1.00 0.00 C ATOM 869 CG PHE A 99 6.511 -2.470 -0.137 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.143 -2.659 0.037 1.00 0.00 C ATOM 871 CD2 PHE A 99 6.973 -2.126 -1.406 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.280 -2.504 -1.021 1.00 0.00 C ATOM 873 CE2 PHE A 99 6.104 -1.977 -2.455 1.00 0.00 C ATOM 874 CZ PHE A 99 4.760 -2.163 -2.266 1.00 0.00 C ATOM 0 H PHE A 99 9.285 -3.270 2.596 1.00 0.00 H new ATOM 0 HA PHE A 99 6.934 -4.615 1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.046 -2.191 1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.398 -2.095 0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.758 -2.929 1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.030 -1.975 -1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.220 -2.650 -0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.479 -1.712 -3.433 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.077 -2.042 -3.094 1.00 0.00 H new ATOM 884 N LYS A 100 7.817 -6.038 -0.150 1.00 0.00 N ATOM 885 CA LYS A 100 8.184 -6.922 -1.268 1.00 0.00 C ATOM 886 C LYS A 100 6.901 -7.424 -1.987 1.00 0.00 C ATOM 887 O LYS A 100 5.826 -7.428 -1.380 1.00 0.00 O ATOM 888 CB LYS A 100 8.997 -8.129 -0.715 1.00 0.00 C ATOM 889 CG LYS A 100 10.349 -7.764 -0.060 1.00 0.00 C ATOM 890 CD LYS A 100 11.096 -8.996 0.496 1.00 0.00 C ATOM 891 CE LYS A 100 10.377 -9.658 1.691 1.00 0.00 C ATOM 892 NZ LYS A 100 10.357 -8.768 2.885 1.00 0.00 N ATOM 0 H LYS A 100 7.086 -6.430 0.443 1.00 0.00 H new ATOM 0 HA LYS A 100 8.793 -6.374 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.385 -8.653 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.183 -8.827 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.980 -7.263 -0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.176 -7.054 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.214 -9.731 -0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.098 -8.696 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.355 -9.909 1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.876 -10.594 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.037 -9.307 3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.314 -8.399 3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.706 -7.975 2.716 1.00 0.00 H new ATOM 906 N PRO A 101 6.979 -7.840 -3.297 1.00 0.00 N ATOM 907 CA PRO A 101 5.837 -8.468 -4.009 1.00 0.00 C ATOM 908 C PRO A 101 5.427 -9.807 -3.353 1.00 0.00 C ATOM 909 O PRO A 101 6.126 -10.816 -3.500 1.00 0.00 O ATOM 910 CB PRO A 101 6.366 -8.671 -5.464 1.00 0.00 C ATOM 911 CG PRO A 101 7.541 -7.754 -5.576 1.00 0.00 C ATOM 912 CD PRO A 101 8.155 -7.711 -4.194 1.00 0.00 C ATOM 0 HA PRO A 101 4.936 -7.855 -3.979 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.655 -9.707 -5.638 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.601 -8.425 -6.201 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.256 -8.121 -6.312 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.233 -6.760 -5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.867 -8.523 -4.044 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.693 -6.779 -4.021 1.00 0.00 H new ATOM 920 N GLY A 102 4.318 -9.790 -2.594 1.00 0.00 N ATOM 921 CA GLY A 102 3.819 -10.981 -1.908 1.00 0.00 C ATOM 922 C GLY A 102 3.812 -10.852 -0.391 1.00 0.00 C ATOM 923 O GLY A 102 3.360 -11.777 0.290 1.00 0.00 O ATOM 0 H GLY A 102 3.751 -8.956 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.806 -11.190 -2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.434 -11.836 -2.189 1.00 0.00 H new ATOM 927 N VAL A 103 4.315 -9.721 0.160 1.00 0.00 N ATOM 928 CA VAL A 103 4.245 -9.466 1.620 1.00 0.00 C ATOM 929 C VAL A 103 2.838 -8.972 1.995 1.00 0.00 C ATOM 930 O VAL A 103 2.236 -8.201 1.246 1.00 0.00 O ATOM 931 CB VAL A 103 5.329 -8.421 2.121 1.00 0.00 C ATOM 932 CG1 VAL A 103 5.052 -6.981 1.614 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.452 -8.436 3.666 1.00 0.00 C ATOM 0 H VAL A 103 4.768 -8.980 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 103 4.461 -10.412 2.117 1.00 0.00 H new ATOM 0 HB VAL A 103 6.279 -8.737 1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.825 -6.309 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.058 -6.971 0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.078 -6.650 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.202 -7.710 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.490 -8.178 4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.750 -9.431 3.998 1.00 0.00 H new ATOM 943 N GLU A 104 2.293 -9.440 3.126 1.00 0.00 N ATOM 944 CA GLU A 104 1.066 -8.864 3.687 1.00 0.00 C ATOM 945 C GLU A 104 1.392 -7.478 4.254 1.00 0.00 C ATOM 946 O GLU A 104 2.462 -7.293 4.845 1.00 0.00 O ATOM 947 CB GLU A 104 0.473 -9.770 4.787 1.00 0.00 C ATOM 948 CG GLU A 104 0.062 -11.181 4.321 1.00 0.00 C ATOM 949 CD GLU A 104 -0.739 -11.949 5.390 1.00 0.00 C ATOM 950 OE1 GLU A 104 -0.136 -12.582 6.285 1.00 0.00 O ATOM 951 OE2 GLU A 104 -1.983 -11.899 5.350 1.00 0.00 O ATOM 0 H GLU A 104 2.681 -10.212 3.667 1.00 0.00 H new ATOM 0 HA GLU A 104 0.318 -8.779 2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.205 -9.868 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.401 -9.276 5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.536 -11.100 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.956 -11.749 4.064 1.00 0.00 H new ATOM 958 N VAL A 105 0.491 -6.504 4.031 1.00 0.00 N ATOM 959 CA VAL A 105 0.620 -5.145 4.591 1.00 0.00 C ATOM 960 C VAL A 105 -0.723 -4.665 5.171 1.00 0.00 C ATOM 961 O VAL A 105 -1.806 -5.090 4.744 1.00 0.00 O ATOM 962 CB VAL A 105 1.158 -4.065 3.556 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.589 -4.389 3.059 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.200 -3.854 2.366 1.00 0.00 C ATOM 0 H VAL A 105 -0.344 -6.635 3.460 1.00 0.00 H new ATOM 0 HA VAL A 105 1.369 -5.229 5.379 1.00 0.00 H new ATOM 0 HB VAL A 105 1.203 -3.126 4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.912 -3.623 2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.272 -4.412 3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.591 -5.360 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.617 -3.106 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.072 -4.795 1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.767 -3.511 2.734 1.00 0.00 H new ATOM 974 N ILE A 106 -0.607 -3.774 6.168 1.00 0.00 N ATOM 975 CA ILE A 106 -1.707 -3.018 6.748 1.00 0.00 C ATOM 976 C ILE A 106 -1.467 -1.551 6.366 1.00 0.00 C ATOM 977 O ILE A 106 -0.514 -0.931 6.848 1.00 0.00 O ATOM 978 CB ILE A 106 -1.743 -3.175 8.316 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.843 -4.686 8.717 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.882 -2.328 8.952 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.824 -4.960 10.213 1.00 0.00 C ATOM 0 H ILE A 106 0.291 -3.559 6.602 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.665 -3.381 6.374 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.806 -2.787 8.716 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.763 -5.096 8.300 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.016 -5.224 8.254 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.875 -2.462 10.034 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.728 -1.275 8.716 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.843 -2.652 8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.898 -6.033 10.387 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.893 -4.586 10.640 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.667 -4.457 10.686 1.00 0.00 H new ATOM 993 N ILE A 107 -2.304 -1.014 5.472 1.00 0.00 N ATOM 994 CA ILE A 107 -2.196 0.383 5.003 1.00 0.00 C ATOM 995 C ILE A 107 -3.187 1.258 5.785 1.00 0.00 C ATOM 996 O ILE A 107 -4.213 0.760 6.268 1.00 0.00 O ATOM 997 CB ILE A 107 -2.479 0.491 3.453 1.00 0.00 C ATOM 998 CG1 ILE A 107 -3.946 0.061 3.126 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.461 -0.350 2.647 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -4.352 0.150 1.671 1.00 0.00 C ATOM 0 H ILE A 107 -3.076 -1.530 5.050 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.178 0.732 5.179 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.360 1.533 3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.086 -0.967 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.625 0.681 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.676 -0.260 1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.452 0.012 2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.536 -1.396 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -5.388 -0.172 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -4.254 1.180 1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.707 -0.494 1.073 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.868 2.553 5.921 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.748 3.516 6.585 1.00 0.00 C ATOM 1014 C GLU A 108 -3.497 4.919 6.008 1.00 0.00 C ATOM 1015 O GLU A 108 -2.347 5.337 5.873 1.00 0.00 O ATOM 1016 CB GLU A 108 -3.532 3.483 8.128 1.00 0.00 C ATOM 1017 CG GLU A 108 -4.624 4.215 8.919 1.00 0.00 C ATOM 1018 CD GLU A 108 -4.479 4.088 10.448 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -5.005 3.111 11.027 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -3.837 4.961 11.079 1.00 0.00 O ATOM 0 H GLU A 108 -1.998 2.957 5.575 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.788 3.247 6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.490 2.445 8.458 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.566 3.930 8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.609 5.271 8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.597 3.824 8.622 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.584 5.621 5.669 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.535 6.916 4.976 1.00 0.00 C ATOM 1029 C GLY A 109 -5.917 7.322 4.486 1.00 0.00 C ATOM 1030 O GLY A 109 -6.909 6.948 5.106 1.00 0.00 O ATOM 0 H GLY A 109 -5.533 5.304 5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.145 7.679 5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.849 6.855 4.131 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.008 8.032 3.356 1.00 0.00 N ATOM 1035 CA GLY A 110 -7.288 8.569 2.885 1.00 0.00 C ATOM 1036 C GLY A 110 -7.682 8.111 1.495 1.00 0.00 C ATOM 1037 O GLY A 110 -6.873 8.150 0.568 1.00 0.00 O ATOM 0 H GLY A 110 -5.214 8.247 2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.071 8.279 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.238 9.658 2.896 1.00 0.00 H new ATOM 1041 N LEU A 111 -8.952 7.685 1.369 1.00 0.00 N ATOM 1042 CA LEU A 111 -9.606 7.356 0.095 1.00 0.00 C ATOM 1043 C LEU A 111 -10.691 8.406 -0.191 1.00 0.00 C ATOM 1044 O LEU A 111 -11.590 8.620 0.635 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.248 5.942 0.161 1.00 0.00 C ATOM 1046 CG LEU A 111 -11.091 5.495 -1.085 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -10.205 5.305 -2.334 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -11.927 4.228 -0.774 1.00 0.00 C ATOM 0 H LEU A 111 -9.566 7.558 2.174 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.863 7.359 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.452 5.213 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.891 5.900 1.040 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.792 6.299 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.824 4.996 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.709 6.245 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.455 4.540 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.500 3.944 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.261 3.412 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.610 4.436 0.050 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.602 9.037 -1.364 1.00 0.00 N ATOM 1061 CA ALA A 112 -11.644 9.947 -1.864 1.00 0.00 C ATOM 1062 C ALA A 112 -12.741 9.092 -2.542 1.00 0.00 C ATOM 1063 O ALA A 112 -12.402 8.124 -3.225 1.00 0.00 O ATOM 1064 CB ALA A 112 -11.037 10.975 -2.830 1.00 0.00 C ATOM 0 H ALA A 112 -9.808 8.934 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.088 10.512 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -11.820 11.641 -3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -10.276 11.558 -2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.583 10.457 -3.675 1.00 0.00 H new ATOM 1070 N PRO A 113 -14.072 9.404 -2.339 1.00 0.00 N ATOM 1071 CA PRO A 113 -15.195 8.581 -2.886 1.00 0.00 C ATOM 1072 C PRO A 113 -15.188 8.491 -4.437 1.00 0.00 C ATOM 1073 O PRO A 113 -15.552 7.456 -5.012 1.00 0.00 O ATOM 1074 CB PRO A 113 -16.476 9.303 -2.348 1.00 0.00 C ATOM 1075 CG PRO A 113 -16.018 10.691 -2.012 1.00 0.00 C ATOM 1076 CD PRO A 113 -14.590 10.543 -1.531 1.00 0.00 C ATOM 0 HA PRO A 113 -15.126 7.540 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.267 9.318 -3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.878 8.795 -1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.072 11.344 -2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -16.647 11.136 -1.241 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.012 11.452 -1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -14.545 10.331 -0.463 1.00 0.00 H new ATOM 1084 N GLY A 114 -14.751 9.579 -5.092 1.00 0.00 N ATOM 1085 CA GLY A 114 -14.640 9.638 -6.559 1.00 0.00 C ATOM 1086 C GLY A 114 -13.357 8.996 -7.095 1.00 0.00 C ATOM 1087 O GLY A 114 -13.212 8.798 -8.310 1.00 0.00 O ATOM 0 H GLY A 114 -14.466 10.438 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -15.501 9.138 -7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -14.678 10.680 -6.878 1.00 0.00 H new ATOM 1091 N GLU A 115 -12.419 8.691 -6.185 1.00 0.00 N ATOM 1092 CA GLU A 115 -11.127 8.068 -6.512 1.00 0.00 C ATOM 1093 C GLU A 115 -11.165 6.574 -6.146 1.00 0.00 C ATOM 1094 O GLU A 115 -11.753 6.188 -5.136 1.00 0.00 O ATOM 1095 CB GLU A 115 -9.985 8.795 -5.743 1.00 0.00 C ATOM 1096 CG GLU A 115 -8.560 8.283 -6.035 1.00 0.00 C ATOM 1097 CD GLU A 115 -8.206 8.255 -7.534 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -7.946 9.325 -8.117 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -8.177 7.157 -8.134 1.00 0.00 O ATOM 0 H GLU A 115 -12.538 8.873 -5.188 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.937 8.158 -7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -10.027 9.857 -5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.174 8.702 -4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.842 8.916 -5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.454 7.278 -5.627 1.00 0.00 H new ATOM 1106 N ASP A 116 -10.535 5.746 -6.992 1.00 0.00 N ATOM 1107 CA ASP A 116 -10.460 4.288 -6.790 1.00 0.00 C ATOM 1108 C ASP A 116 -9.233 3.924 -5.938 1.00 0.00 C ATOM 1109 O ASP A 116 -9.288 2.973 -5.145 1.00 0.00 O ATOM 1110 CB ASP A 116 -10.412 3.542 -8.156 1.00 0.00 C ATOM 1111 CG ASP A 116 -10.562 2.008 -8.022 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -11.707 1.512 -8.037 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -9.545 1.294 -7.878 1.00 0.00 O ATOM 0 H ASP A 116 -10.062 6.067 -7.837 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.358 3.972 -6.259 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.206 3.923 -8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -9.467 3.766 -8.651 1.00 0.00 H new ATOM 1118 N THR A 117 -8.130 4.693 -6.092 1.00 0.00 N ATOM 1119 CA THR A 117 -6.861 4.376 -5.418 1.00 0.00 C ATOM 1120 C THR A 117 -6.887 4.945 -3.984 1.00 0.00 C ATOM 1121 O THR A 117 -7.257 6.105 -3.771 1.00 0.00 O ATOM 1122 CB THR A 117 -5.584 4.886 -6.214 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.382 4.302 -5.675 1.00 0.00 O ATOM 1124 CG2 THR A 117 -5.415 6.414 -6.214 1.00 0.00 C ATOM 0 H THR A 117 -8.098 5.530 -6.674 1.00 0.00 H new ATOM 0 HA THR A 117 -6.770 3.290 -5.382 1.00 0.00 H new ATOM 0 HB THR A 117 -5.749 4.571 -7.244 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.619 3.597 -5.037 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.521 6.681 -6.778 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.287 6.877 -6.676 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.317 6.769 -5.188 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.565 4.093 -3.002 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.412 4.482 -1.604 1.00 0.00 C ATOM 1134 C PHE A 118 -5.032 5.129 -1.436 1.00 0.00 C ATOM 1135 O PHE A 118 -4.014 4.495 -1.711 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.550 3.227 -0.695 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.503 3.515 0.807 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -7.670 3.787 1.516 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -5.298 3.506 1.507 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -7.634 4.035 2.865 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -5.266 3.750 2.857 1.00 0.00 C ATOM 1142 CZ PHE A 118 -6.434 4.014 3.534 1.00 0.00 C ATOM 0 H PHE A 118 -6.402 3.099 -3.165 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.185 5.194 -1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.492 2.730 -0.926 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.752 2.527 -0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -8.617 3.803 0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -4.377 3.304 0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -8.548 4.246 3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -4.325 3.735 3.387 1.00 0.00 H new ATOM 0 HZ PHE A 118 -6.408 4.206 4.597 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.016 6.380 -0.980 1.00 0.00 N ATOM 1153 CA LYS A 119 -3.783 7.148 -0.789 1.00 0.00 C ATOM 1154 C LYS A 119 -3.279 6.880 0.638 1.00 0.00 C ATOM 1155 O LYS A 119 -3.780 7.479 1.598 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.054 8.658 -1.018 1.00 0.00 C ATOM 1157 CG LYS A 119 -2.834 9.589 -0.825 1.00 0.00 C ATOM 1158 CD LYS A 119 -3.215 11.086 -0.705 1.00 0.00 C ATOM 1159 CE LYS A 119 -3.931 11.454 0.621 1.00 0.00 C ATOM 1160 NZ LYS A 119 -5.276 10.826 0.783 1.00 0.00 N ATOM 0 H LYS A 119 -5.861 6.894 -0.731 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.022 6.844 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.435 8.792 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.843 8.975 -0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.294 9.286 0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.152 9.462 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.311 11.688 -0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.862 11.353 -1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.299 11.155 1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.039 12.537 0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.898 11.470 1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.687 10.639 -0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.181 9.931 1.304 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.325 5.942 0.775 1.00 0.00 N ATOM 1175 CA ALA A 120 -1.789 5.532 2.081 1.00 0.00 C ATOM 1176 C ALA A 120 -0.842 6.605 2.637 1.00 0.00 C ATOM 1177 O ALA A 120 0.094 7.039 1.955 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.072 4.174 1.978 1.00 0.00 C ATOM 0 H ALA A 120 -1.907 5.450 -0.014 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.625 5.421 2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.684 3.892 2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.776 3.416 1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.247 4.251 1.269 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.142 7.050 3.863 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.297 7.955 4.648 1.00 0.00 C ATOM 1186 C ARG A 121 0.840 7.152 5.295 1.00 0.00 C ATOM 1187 O ARG A 121 1.982 7.612 5.387 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.159 8.631 5.749 1.00 0.00 C ATOM 1189 CG ARG A 121 -0.378 9.575 6.693 1.00 0.00 C ATOM 1190 CD ARG A 121 -1.230 10.084 7.866 1.00 0.00 C ATOM 1191 NE ARG A 121 -0.472 11.020 8.715 1.00 0.00 N ATOM 1192 CZ ARG A 121 -0.807 12.295 8.951 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -1.861 12.844 8.369 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -0.055 13.022 9.749 1.00 0.00 N ATOM 0 H ARG A 121 -1.999 6.784 4.347 1.00 0.00 H new ATOM 0 HA ARG A 121 0.128 8.722 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -1.957 9.198 5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.635 7.854 6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.494 9.050 7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.008 10.427 6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.122 10.579 7.482 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.568 9.239 8.466 1.00 0.00 H new ATOM 0 HE ARG A 121 0.376 10.668 9.159 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.434 12.294 7.728 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.101 13.817 8.561 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.774 12.613 10.181 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.301 13.994 9.936 1.00 0.00 H new ATOM 1208 N THR A 122 0.496 5.936 5.735 1.00 0.00 N ATOM 1209 CA THR A 122 1.388 5.040 6.466 1.00 0.00 C ATOM 1210 C THR A 122 1.290 3.640 5.851 1.00 0.00 C ATOM 1211 O THR A 122 0.184 3.159 5.558 1.00 0.00 O ATOM 1212 CB THR A 122 1.033 4.992 7.996 1.00 0.00 C ATOM 1213 OG1 THR A 122 -0.376 4.767 8.175 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.427 6.288 8.722 1.00 0.00 C ATOM 0 H THR A 122 -0.433 5.542 5.587 1.00 0.00 H new ATOM 0 HA THR A 122 2.408 5.415 6.385 1.00 0.00 H new ATOM 0 HB THR A 122 1.603 4.170 8.428 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.584 4.738 9.132 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.163 6.209 9.777 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.501 6.445 8.628 1.00 0.00 H new ATOM 0 HG23 THR A 122 0.897 7.130 8.277 1.00 0.00 H new ATOM 1222 N LEU A 123 2.451 3.017 5.621 1.00 0.00 N ATOM 1223 CA LEU A 123 2.558 1.660 5.079 1.00 0.00 C ATOM 1224 C LEU A 123 3.249 0.776 6.116 1.00 0.00 C ATOM 1225 O LEU A 123 4.447 0.936 6.378 1.00 0.00 O ATOM 1226 CB LEU A 123 3.368 1.660 3.762 1.00 0.00 C ATOM 1227 CG LEU A 123 3.577 0.272 3.075 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.253 -0.313 2.546 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.650 0.361 1.973 1.00 0.00 C ATOM 0 H LEU A 123 3.356 3.449 5.809 1.00 0.00 H new ATOM 0 HA LEU A 123 1.561 1.276 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.868 2.320 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.348 2.092 3.964 1.00 0.00 H new ATOM 0 HG LEU A 123 3.940 -0.422 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.444 -1.278 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.556 -0.444 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.821 0.369 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.778 -0.617 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 123 4.337 1.082 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.595 0.681 2.411 1.00 0.00 H new ATOM 1241 N MET A 124 2.482 -0.123 6.720 1.00 0.00 N ATOM 1242 CA MET A 124 2.990 -1.132 7.651 1.00 0.00 C ATOM 1243 C MET A 124 3.050 -2.452 6.907 1.00 0.00 C ATOM 1244 O MET A 124 2.057 -2.854 6.329 1.00 0.00 O ATOM 1245 CB MET A 124 2.035 -1.268 8.881 1.00 0.00 C ATOM 1246 CG MET A 124 2.365 -2.424 9.853 1.00 0.00 C ATOM 1247 SD MET A 124 1.049 -2.749 11.055 1.00 0.00 S ATOM 1248 CE MET A 124 0.846 -1.140 11.819 1.00 0.00 C ATOM 0 H MET A 124 1.473 -0.175 6.577 1.00 0.00 H new ATOM 0 HA MET A 124 3.976 -0.844 8.016 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.053 -0.331 9.438 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.017 -1.403 8.516 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.554 -3.330 9.278 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.285 -2.188 10.387 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.401 -1.260 12.807 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.819 -0.658 11.915 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.195 -0.523 11.200 1.00 0.00 H new ATOM 1258 N THR A 125 4.211 -3.102 6.881 1.00 0.00 N ATOM 1259 CA THR A 125 4.300 -4.496 6.445 1.00 0.00 C ATOM 1260 C THR A 125 3.919 -5.378 7.634 1.00 0.00 C ATOM 1261 O THR A 125 4.513 -5.260 8.710 1.00 0.00 O ATOM 1262 CB THR A 125 5.715 -4.858 5.888 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.710 -4.665 6.894 1.00 0.00 O ATOM 1264 CG2 THR A 125 6.070 -4.005 4.654 1.00 0.00 C ATOM 0 H THR A 125 5.102 -2.688 7.156 1.00 0.00 H new ATOM 0 HA THR A 125 3.613 -4.662 5.615 1.00 0.00 H new ATOM 0 HB THR A 125 5.690 -5.907 5.591 1.00 0.00 H new ATOM 0 HG1 THR A 125 6.291 -4.700 7.779 1.00 0.00 H new ATOM 0 HG21 THR A 125 7.060 -4.283 4.292 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.335 -4.178 3.868 1.00 0.00 H new ATOM 0 HG23 THR A 125 6.066 -2.950 4.928 1.00 0.00 H new ATOM 1272 N LYS A 126 2.909 -6.228 7.432 1.00 0.00 N ATOM 1273 CA LYS A 126 2.333 -7.091 8.472 1.00 0.00 C ATOM 1274 C LYS A 126 3.366 -8.173 8.837 1.00 0.00 C ATOM 1275 O LYS A 126 3.558 -8.497 10.012 1.00 0.00 O ATOM 1276 CB LYS A 126 0.983 -7.671 7.923 1.00 0.00 C ATOM 1277 CG LYS A 126 0.187 -8.646 8.835 1.00 0.00 C ATOM 1278 CD LYS A 126 0.607 -10.134 8.671 1.00 0.00 C ATOM 1279 CE LYS A 126 -0.274 -11.088 9.486 1.00 0.00 C ATOM 1280 NZ LYS A 126 0.106 -12.505 9.291 1.00 0.00 N ATOM 0 H LYS A 126 2.458 -6.339 6.524 1.00 0.00 H new ATOM 0 HA LYS A 126 2.107 -6.549 9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 126 0.331 -6.831 7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.197 -8.187 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.324 -8.351 9.875 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -0.876 -8.551 8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 126 0.555 -10.408 7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 126 1.646 -10.251 8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -0.198 -10.836 10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -1.317 -10.951 9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.568 -13.117 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.091 -12.732 8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 1.063 -12.663 9.667 1.00 0.00 H new ATOM 1294 N CYS A 127 4.046 -8.697 7.804 1.00 0.00 N ATOM 1295 CA CYS A 127 5.194 -9.595 7.974 1.00 0.00 C ATOM 1296 C CYS A 127 6.469 -8.736 8.218 1.00 0.00 C ATOM 1297 O CYS A 127 6.848 -7.941 7.342 1.00 0.00 O ATOM 1298 CB CYS A 127 5.332 -10.477 6.722 1.00 0.00 C ATOM 1299 SG CYS A 127 3.778 -11.263 6.222 1.00 0.00 S ATOM 0 H CYS A 127 3.813 -8.508 6.829 1.00 0.00 H new ATOM 0 HA CYS A 127 5.053 -10.251 8.833 1.00 0.00 H new ATOM 0 HB2 CYS A 127 5.705 -9.869 5.898 1.00 0.00 H new ATOM 0 HB3 CYS A 127 6.077 -11.250 6.911 1.00 0.00 H new ATOM 0 HG CYS A 127 3.979 -11.985 5.160 1.00 0.00 H new ATOM 1305 N PRO A 128 7.121 -8.844 9.425 1.00 0.00 N ATOM 1306 CA PRO A 128 8.225 -7.935 9.832 1.00 0.00 C ATOM 1307 C PRO A 128 9.640 -8.346 9.341 1.00 0.00 C ATOM 1308 O PRO A 128 9.835 -9.419 8.758 1.00 0.00 O ATOM 1309 CB PRO A 128 8.118 -7.996 11.374 1.00 0.00 C ATOM 1310 CG PRO A 128 7.710 -9.412 11.664 1.00 0.00 C ATOM 1311 CD PRO A 128 6.821 -9.839 10.501 1.00 0.00 C ATOM 0 HA PRO A 128 8.117 -6.944 9.391 1.00 0.00 H new ATOM 0 HB2 PRO A 128 9.068 -7.751 11.848 1.00 0.00 H new ATOM 0 HB3 PRO A 128 7.382 -7.285 11.750 1.00 0.00 H new ATOM 0 HG2 PRO A 128 8.582 -10.060 11.747 1.00 0.00 H new ATOM 0 HG3 PRO A 128 7.173 -9.477 12.610 1.00 0.00 H new ATOM 0 HD2 PRO A 128 7.048 -10.855 10.178 1.00 0.00 H new ATOM 0 HD3 PRO A 128 5.767 -9.821 10.778 1.00 0.00 H new ATOM 1319 N LEU A 129 10.616 -7.447 9.601 1.00 0.00 N ATOM 1320 CA LEU A 129 12.069 -7.682 9.378 1.00 0.00 C ATOM 1321 C LEU A 129 12.599 -8.672 10.442 1.00 0.00 C ATOM 1322 O LEU A 129 11.960 -8.844 11.485 1.00 0.00 O ATOM 1323 CB LEU A 129 12.832 -6.321 9.495 1.00 0.00 C ATOM 1324 CG LEU A 129 14.341 -6.307 9.075 1.00 0.00 C ATOM 1325 CD1 LEU A 129 14.496 -6.412 7.547 1.00 0.00 C ATOM 1326 CD2 LEU A 129 15.083 -5.070 9.633 1.00 0.00 C ATOM 0 H LEU A 129 10.417 -6.520 9.978 1.00 0.00 H new ATOM 0 HA LEU A 129 12.228 -8.104 8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.305 -5.585 8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 129 12.766 -5.985 10.530 1.00 0.00 H new ATOM 0 HG LEU A 129 14.807 -7.187 9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 129 15.554 -6.400 7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.048 -7.343 7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.996 -5.568 7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 129 16.126 -5.099 9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 129 14.614 -4.162 9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 129 15.032 -5.076 10.722 1.00 0.00 H new ATOM 1338 N GLU A 130 13.767 -9.300 10.196 1.00 0.00 N ATOM 1339 CA GLU A 130 14.412 -10.203 11.184 1.00 0.00 C ATOM 1340 C GLU A 130 15.299 -9.374 12.174 1.00 0.00 C ATOM 1341 O GLU A 130 16.535 -9.523 12.211 1.00 0.00 O ATOM 1342 CB GLU A 130 15.185 -11.390 10.478 1.00 0.00 C ATOM 1343 CG GLU A 130 16.325 -11.032 9.481 1.00 0.00 C ATOM 1344 CD GLU A 130 15.842 -10.444 8.153 1.00 0.00 C ATOM 1345 OE1 GLU A 130 15.201 -11.180 7.376 1.00 0.00 O ATOM 1346 OE2 GLU A 130 16.088 -9.256 7.881 1.00 0.00 O ATOM 0 H GLU A 130 14.286 -9.201 9.324 1.00 0.00 H new ATOM 0 HA GLU A 130 13.638 -10.685 11.781 1.00 0.00 H new ATOM 0 HB2 GLU A 130 15.610 -12.021 11.258 1.00 0.00 H new ATOM 0 HB3 GLU A 130 14.452 -11.994 9.943 1.00 0.00 H new ATOM 0 HG2 GLU A 130 16.997 -10.318 9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 130 16.907 -11.930 9.276 1.00 0.00 H new TER 1353 GLU A 130