USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 525 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 46 TYR OH : rot 15:sc= 1.07 USER MOD Set 1.2: A 61 THR OG1 : rot 100:sc= 1.08 USER MOD Single : A 9 GLN : amide:sc= -0.982 X(o=-0.98,f=-0.91) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 26 SER OG : rot 150:sc= -0.181 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0334 USER MOD Single : A 37 CYS SG : rot 23:sc= -2.32 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.82! X(o=-1.8!,f=-1.7) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0657 X(o=-0.066,f=-0.43) USER MOD Single : A 48 THR OG1 : rot -110:sc= -0.801 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= -0.455 (180deg=-0.755) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -3.22! K(o=-3.2!,f=-1.9) USER MOD Single : A 70 HIS : no HE2:sc= -5.93! C(o=-5.9!,f=-5.8!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0658 USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= 0.0103 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.515 -19.576 -0.180 1.00 0.00 N ATOM 67 CA ASP A 8 1.750 -19.060 1.158 1.00 0.00 C ATOM 68 C ASP A 8 1.634 -17.535 1.139 1.00 0.00 C ATOM 69 O ASP A 8 0.841 -16.960 1.883 1.00 0.00 O ATOM 70 CB ASP A 8 3.153 -19.421 1.648 1.00 0.00 C ATOM 71 CG ASP A 8 3.237 -19.838 3.118 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.277 -19.522 3.853 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.260 -20.462 3.474 1.00 0.00 O ATOM 0 HA ASP A 8 1.010 -19.502 1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.538 -20.234 1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.808 -18.564 1.491 1.00 0.00 H new ATOM 78 N GLN A 9 2.436 -16.923 0.280 1.00 0.00 N ATOM 79 CA GLN A 9 2.433 -15.475 0.155 1.00 0.00 C ATOM 80 C GLN A 9 1.206 -15.013 -0.633 1.00 0.00 C ATOM 81 O GLN A 9 0.800 -13.856 -0.534 1.00 0.00 O ATOM 82 CB GLN A 9 3.724 -14.979 -0.500 1.00 0.00 C ATOM 83 CG GLN A 9 3.861 -15.523 -1.923 1.00 0.00 C ATOM 84 CD GLN A 9 4.765 -14.625 -2.770 1.00 0.00 C ATOM 85 OE1 GLN A 9 4.363 -13.584 -3.263 1.00 0.00 O ATOM 86 NE2 GLN A 9 6.005 -15.084 -2.910 1.00 0.00 N ATOM 0 H GLN A 9 3.092 -17.403 -0.336 1.00 0.00 H new ATOM 0 HA GLN A 9 2.382 -15.043 1.155 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.730 -13.889 -0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.582 -15.291 0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.271 -16.532 -1.892 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.876 -15.593 -2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.276 -15.964 -2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.685 -14.557 -3.457 1.00 0.00 H new ATOM 95 N LYS A 10 0.649 -15.941 -1.397 1.00 0.00 N ATOM 96 CA LYS A 10 -0.524 -15.643 -2.201 1.00 0.00 C ATOM 97 C LYS A 10 -1.692 -15.286 -1.280 1.00 0.00 C ATOM 98 O LYS A 10 -2.489 -14.404 -1.595 1.00 0.00 O ATOM 99 CB LYS A 10 -0.826 -16.799 -3.157 1.00 0.00 C ATOM 100 CG LYS A 10 -1.306 -16.278 -4.513 1.00 0.00 C ATOM 101 CD LYS A 10 -0.123 -15.910 -5.410 1.00 0.00 C ATOM 102 CE LYS A 10 -0.084 -14.404 -5.676 1.00 0.00 C ATOM 103 NZ LYS A 10 0.398 -14.132 -7.049 1.00 0.00 N ATOM 0 H LYS A 10 0.988 -16.900 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.341 -14.775 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.069 -17.406 -3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.588 -17.446 -2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.916 -17.037 -5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.941 -15.404 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.808 -16.224 -4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.197 -16.448 -6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.079 -13.979 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.570 -13.918 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.418 -13.105 -7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.356 -14.520 -7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.241 -14.580 -7.736 1.00 0.00 H new ATOM 117 N LYS A 11 -1.756 -15.990 -0.159 1.00 0.00 N ATOM 118 CA LYS A 11 -2.813 -15.759 0.811 1.00 0.00 C ATOM 119 C LYS A 11 -2.565 -14.427 1.521 1.00 0.00 C ATOM 120 O LYS A 11 -3.490 -13.639 1.712 1.00 0.00 O ATOM 121 CB LYS A 11 -2.936 -16.950 1.763 1.00 0.00 C ATOM 122 CG LYS A 11 -3.651 -18.121 1.086 1.00 0.00 C ATOM 123 CD LYS A 11 -3.561 -19.387 1.942 1.00 0.00 C ATOM 124 CE LYS A 11 -4.689 -20.362 1.599 1.00 0.00 C ATOM 125 NZ LYS A 11 -4.667 -21.523 2.516 1.00 0.00 N ATOM 0 H LYS A 11 -1.093 -16.721 0.099 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.778 -15.679 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.944 -17.264 2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.485 -16.651 2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.697 -17.865 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.207 -18.307 0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.597 -19.870 1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.614 -19.121 2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.651 -19.854 1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.583 -20.703 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.439 -22.175 2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.756 -22.017 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.791 -21.195 3.495 1.00 0.00 H new ATOM 139 N PHE A 12 -1.311 -14.216 1.894 1.00 0.00 N ATOM 140 CA PHE A 12 -0.929 -12.993 2.579 1.00 0.00 C ATOM 141 C PHE A 12 -1.200 -11.767 1.704 1.00 0.00 C ATOM 142 O PHE A 12 -1.872 -10.830 2.132 1.00 0.00 O ATOM 143 CB PHE A 12 0.572 -13.085 2.857 1.00 0.00 C ATOM 144 CG PHE A 12 1.224 -11.745 3.204 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.626 -10.907 2.212 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.403 -11.393 4.506 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.232 -9.664 2.534 1.00 0.00 C ATOM 148 CE2 PHE A 12 2.008 -10.150 4.828 1.00 0.00 C ATOM 149 CZ PHE A 12 2.410 -9.311 3.836 1.00 0.00 C ATOM 0 H PHE A 12 -0.546 -14.872 1.735 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.506 -12.886 3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.737 -13.781 3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.068 -13.503 1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.484 -11.187 1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.085 -12.059 5.294 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.552 -8.999 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.149 -9.870 5.862 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.870 -8.365 4.081 1.00 0.00 H new ATOM 159 N ILE A 13 -0.662 -11.813 0.494 1.00 0.00 N ATOM 160 CA ILE A 13 -0.836 -10.718 -0.445 1.00 0.00 C ATOM 161 C ILE A 13 -2.330 -10.485 -0.678 1.00 0.00 C ATOM 162 O ILE A 13 -2.822 -9.371 -0.506 1.00 0.00 O ATOM 163 CB ILE A 13 -0.047 -10.983 -1.729 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.202 -9.683 -2.497 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.744 -12.035 -2.594 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.294 -8.849 -1.825 1.00 0.00 C ATOM 0 H ILE A 13 -0.105 -12.592 0.142 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.429 -9.794 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 13 0.927 -11.387 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.494 -9.912 -3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.721 -9.105 -2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.162 -12.204 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.827 -12.968 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.740 -11.683 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.451 -7.931 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.989 -8.601 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.222 -9.420 -1.796 1.00 0.00 H new ATOM 178 N ASP A 14 -3.010 -11.554 -1.066 1.00 0.00 N ATOM 179 CA ASP A 14 -4.438 -11.480 -1.325 1.00 0.00 C ATOM 180 C ASP A 14 -5.117 -10.706 -0.193 1.00 0.00 C ATOM 181 O ASP A 14 -5.852 -9.752 -0.442 1.00 0.00 O ATOM 182 CB ASP A 14 -5.060 -12.876 -1.383 1.00 0.00 C ATOM 183 CG ASP A 14 -6.504 -12.920 -1.887 1.00 0.00 C ATOM 184 OD1 ASP A 14 -7.102 -11.828 -1.990 1.00 0.00 O ATOM 185 OD2 ASP A 14 -6.977 -14.045 -2.158 1.00 0.00 O ATOM 0 H ASP A 14 -2.598 -12.476 -1.207 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.582 -10.981 -2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.446 -13.504 -2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.026 -13.314 -0.386 1.00 0.00 H new ATOM 190 N GLN A 15 -4.847 -11.147 1.027 1.00 0.00 N ATOM 191 CA GLN A 15 -5.422 -10.508 2.198 1.00 0.00 C ATOM 192 C GLN A 15 -5.195 -8.996 2.144 1.00 0.00 C ATOM 193 O GLN A 15 -6.084 -8.218 2.488 1.00 0.00 O ATOM 194 CB GLN A 15 -4.848 -11.103 3.486 1.00 0.00 C ATOM 195 CG GLN A 15 -5.392 -12.512 3.729 1.00 0.00 C ATOM 196 CD GLN A 15 -6.020 -12.624 5.121 1.00 0.00 C ATOM 197 OE1 GLN A 15 -7.170 -12.284 5.341 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.201 -13.119 6.044 1.00 0.00 N ATOM 0 H GLN A 15 -4.237 -11.939 1.230 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.496 -10.695 2.198 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.760 -11.135 3.423 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.099 -10.462 4.331 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.136 -12.755 2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.586 -13.239 3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.249 -13.384 5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.525 -13.234 7.004 1.00 0.00 H new ATOM 207 N VAL A 16 -4.000 -8.625 1.709 1.00 0.00 N ATOM 208 CA VAL A 16 -3.645 -7.220 1.605 1.00 0.00 C ATOM 209 C VAL A 16 -4.495 -6.562 0.516 1.00 0.00 C ATOM 210 O VAL A 16 -5.141 -5.544 0.758 1.00 0.00 O ATOM 211 CB VAL A 16 -2.142 -7.077 1.357 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.760 -5.613 1.127 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.336 -7.679 2.511 1.00 0.00 C ATOM 0 H VAL A 16 -3.265 -9.273 1.425 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.858 -6.703 2.541 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.898 -7.633 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.686 -5.540 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.295 -5.230 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.026 -5.025 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.271 -7.564 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.588 -7.164 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.575 -8.738 2.608 1.00 0.00 H new ATOM 223 N ILE A 17 -4.467 -7.171 -0.660 1.00 0.00 N ATOM 224 CA ILE A 17 -5.228 -6.658 -1.787 1.00 0.00 C ATOM 225 C ILE A 17 -6.596 -6.179 -1.297 1.00 0.00 C ATOM 226 O ILE A 17 -7.083 -5.135 -1.729 1.00 0.00 O ATOM 227 CB ILE A 17 -5.305 -7.703 -2.902 1.00 0.00 C ATOM 228 CG1 ILE A 17 -3.933 -8.328 -3.163 1.00 0.00 C ATOM 229 CG2 ILE A 17 -5.914 -7.105 -4.172 1.00 0.00 C ATOM 230 CD1 ILE A 17 -2.821 -7.285 -3.035 1.00 0.00 C ATOM 0 H ILE A 17 -3.929 -8.015 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.726 -5.795 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.967 -8.505 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.759 -9.139 -2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.913 -8.765 -4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.957 -7.868 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.921 -6.747 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.298 -6.274 -4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.857 -7.756 -3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.985 -6.488 -3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.828 -6.867 -2.028 1.00 0.00 H new ATOM 242 N GLU A 18 -7.177 -6.965 -0.403 1.00 0.00 N ATOM 243 CA GLU A 18 -8.480 -6.634 0.149 1.00 0.00 C ATOM 244 C GLU A 18 -8.430 -5.274 0.849 1.00 0.00 C ATOM 245 O GLU A 18 -9.228 -4.388 0.549 1.00 0.00 O ATOM 246 CB GLU A 18 -8.963 -7.726 1.106 1.00 0.00 C ATOM 247 CG GLU A 18 -9.459 -8.951 0.335 1.00 0.00 C ATOM 248 CD GLU A 18 -10.937 -8.805 -0.032 1.00 0.00 C ATOM 249 OE1 GLU A 18 -11.200 -8.229 -1.110 1.00 0.00 O ATOM 250 OE2 GLU A 18 -11.771 -9.274 0.772 1.00 0.00 O ATOM 0 H GLU A 18 -6.770 -7.830 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.196 -6.573 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.151 -8.016 1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.766 -7.337 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.866 -9.080 -0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.317 -9.847 0.939 1.00 0.00 H new ATOM 257 N LYS A 19 -7.483 -5.153 1.769 1.00 0.00 N ATOM 258 CA LYS A 19 -7.319 -3.916 2.513 1.00 0.00 C ATOM 259 C LYS A 19 -7.206 -2.746 1.534 1.00 0.00 C ATOM 260 O LYS A 19 -7.795 -1.689 1.753 1.00 0.00 O ATOM 261 CB LYS A 19 -6.137 -4.025 3.479 1.00 0.00 C ATOM 262 CG LYS A 19 -6.453 -4.986 4.627 1.00 0.00 C ATOM 263 CD LYS A 19 -5.203 -5.756 5.058 1.00 0.00 C ATOM 264 CE LYS A 19 -5.184 -5.964 6.574 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.583 -7.274 6.910 1.00 0.00 N ATOM 0 H LYS A 19 -6.823 -5.890 2.015 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.194 -3.728 3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.255 -4.373 2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.899 -3.040 3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.851 -4.427 5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.227 -5.687 4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.175 -6.722 4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.311 -5.210 4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.616 -5.164 7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.199 -5.912 6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.578 -7.399 7.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.141 -8.035 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.607 -7.310 6.552 1.00 0.00 H new ATOM 279 N ILE A 20 -6.445 -2.976 0.473 1.00 0.00 N ATOM 280 CA ILE A 20 -6.248 -1.954 -0.541 1.00 0.00 C ATOM 281 C ILE A 20 -7.585 -1.649 -1.218 1.00 0.00 C ATOM 282 O ILE A 20 -8.074 -0.522 -1.156 1.00 0.00 O ATOM 283 CB ILE A 20 -5.146 -2.373 -1.516 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.838 -2.659 -0.776 1.00 0.00 C ATOM 285 CG2 ILE A 20 -4.964 -1.329 -2.620 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.808 -3.298 -1.709 1.00 0.00 C ATOM 0 H ILE A 20 -5.958 -3.854 0.294 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.903 -1.026 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.452 -3.301 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.437 -1.732 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.031 -3.322 0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.175 -1.651 -3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.896 -1.218 -3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.691 -0.372 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.888 -3.491 -1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.202 -4.237 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.599 -2.622 -2.538 1.00 0.00 H new ATOM 298 N GLU A 21 -8.139 -2.673 -1.850 1.00 0.00 N ATOM 299 CA GLU A 21 -9.411 -2.528 -2.539 1.00 0.00 C ATOM 300 C GLU A 21 -10.358 -1.646 -1.723 1.00 0.00 C ATOM 301 O GLU A 21 -10.858 -0.639 -2.223 1.00 0.00 O ATOM 302 CB GLU A 21 -10.040 -3.894 -2.821 1.00 0.00 C ATOM 303 CG GLU A 21 -9.389 -4.557 -4.037 1.00 0.00 C ATOM 304 CD GLU A 21 -10.446 -5.172 -4.956 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.903 -6.289 -4.629 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.773 -4.512 -5.966 1.00 0.00 O ATOM 0 H GLU A 21 -7.731 -3.606 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.230 -2.043 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.928 -4.537 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.110 -3.777 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.806 -3.820 -4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.695 -5.330 -3.707 1.00 0.00 H new ATOM 313 N ASP A 22 -10.577 -2.056 -0.482 1.00 0.00 N ATOM 314 CA ASP A 22 -11.455 -1.315 0.407 1.00 0.00 C ATOM 315 C ASP A 22 -10.992 0.141 0.478 1.00 0.00 C ATOM 316 O ASP A 22 -11.783 1.059 0.268 1.00 0.00 O ATOM 317 CB ASP A 22 -11.420 -1.893 1.823 1.00 0.00 C ATOM 318 CG ASP A 22 -12.590 -1.482 2.718 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.669 -2.093 2.557 1.00 0.00 O ATOM 320 OD2 ASP A 22 -12.380 -0.567 3.544 1.00 0.00 O ATOM 0 H ASP A 22 -10.161 -2.892 -0.071 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.469 -1.385 0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.399 -2.981 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.490 -1.586 2.302 1.00 0.00 H new ATOM 325 N PHE A 23 -9.711 0.307 0.775 1.00 0.00 N ATOM 326 CA PHE A 23 -9.133 1.636 0.877 1.00 0.00 C ATOM 327 C PHE A 23 -9.364 2.435 -0.407 1.00 0.00 C ATOM 328 O PHE A 23 -9.579 3.645 -0.359 1.00 0.00 O ATOM 329 CB PHE A 23 -7.628 1.454 1.086 1.00 0.00 C ATOM 330 CG PHE A 23 -6.778 2.590 0.513 1.00 0.00 C ATOM 331 CD1 PHE A 23 -7.005 3.873 0.904 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.797 2.317 -0.388 1.00 0.00 C ATOM 333 CE1 PHE A 23 -6.217 4.927 0.372 1.00 0.00 C ATOM 334 CE2 PHE A 23 -5.008 3.372 -0.920 1.00 0.00 C ATOM 335 CZ PHE A 23 -5.235 4.654 -0.529 1.00 0.00 C ATOM 0 H PHE A 23 -9.058 -0.457 0.948 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.596 2.181 1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.428 1.367 2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.319 0.515 0.626 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.785 4.090 1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.618 1.298 -0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.397 5.946 0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.228 3.155 -1.635 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.636 5.456 -0.934 1.00 0.00 H new ATOM 345 N LEU A 24 -9.313 1.725 -1.525 1.00 0.00 N ATOM 346 CA LEU A 24 -9.515 2.353 -2.820 1.00 0.00 C ATOM 347 C LEU A 24 -10.999 2.682 -2.996 1.00 0.00 C ATOM 348 O LEU A 24 -11.346 3.689 -3.612 1.00 0.00 O ATOM 349 CB LEU A 24 -8.943 1.476 -3.935 1.00 0.00 C ATOM 350 CG LEU A 24 -7.458 1.125 -3.817 1.00 0.00 C ATOM 351 CD1 LEU A 24 -7.085 -0.008 -4.776 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.584 2.363 -4.025 1.00 0.00 C ATOM 0 H LEU A 24 -9.135 0.721 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.970 3.295 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.514 0.548 -3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.102 1.983 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.271 0.765 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.025 -0.238 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.674 -0.894 -4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.291 0.300 -5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.534 2.086 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.768 2.776 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.827 3.111 -3.270 1.00 0.00 H new ATOM 364 N GLN A 25 -11.834 1.814 -2.446 1.00 0.00 N ATOM 365 CA GLN A 25 -13.273 2.000 -2.535 1.00 0.00 C ATOM 366 C GLN A 25 -13.678 3.325 -1.887 1.00 0.00 C ATOM 367 O GLN A 25 -14.478 4.075 -2.445 1.00 0.00 O ATOM 368 CB GLN A 25 -14.018 0.827 -1.895 1.00 0.00 C ATOM 369 CG GLN A 25 -14.035 -0.386 -2.828 1.00 0.00 C ATOM 370 CD GLN A 25 -15.329 -0.432 -3.644 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.891 0.582 -4.021 1.00 0.00 O ATOM 372 NE2 GLN A 25 -15.767 -1.663 -3.893 1.00 0.00 N ATOM 0 H GLN A 25 -11.542 0.980 -1.937 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.551 2.033 -3.588 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.540 0.559 -0.953 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.040 1.125 -1.661 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.178 -0.344 -3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.937 -1.301 -2.243 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.247 -2.469 -3.547 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.623 -1.801 -4.430 1.00 0.00 H new ATOM 381 N SER A 26 -13.107 3.574 -0.717 1.00 0.00 N ATOM 382 CA SER A 26 -13.398 4.796 0.013 1.00 0.00 C ATOM 383 C SER A 26 -12.916 6.010 -0.785 1.00 0.00 C ATOM 384 O SER A 26 -11.908 5.936 -1.486 1.00 0.00 O ATOM 385 CB SER A 26 -12.748 4.779 1.398 1.00 0.00 C ATOM 386 OG SER A 26 -13.564 5.414 2.378 1.00 0.00 O ATOM 0 H SER A 26 -12.444 2.950 -0.257 1.00 0.00 H new ATOM 0 HA SER A 26 -14.477 4.864 0.149 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.558 3.748 1.697 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.781 5.280 1.351 1.00 0.00 H new ATOM 0 HG SER A 26 -13.406 5.001 3.253 1.00 0.00 H new ATOM 392 N GLU A 27 -13.659 7.099 -0.651 1.00 0.00 N ATOM 393 CA GLU A 27 -13.320 8.327 -1.350 1.00 0.00 C ATOM 394 C GLU A 27 -12.437 9.213 -0.469 1.00 0.00 C ATOM 395 O GLU A 27 -11.376 9.662 -0.900 1.00 0.00 O ATOM 396 CB GLU A 27 -14.581 9.073 -1.790 1.00 0.00 C ATOM 397 CG GLU A 27 -14.603 9.264 -3.308 1.00 0.00 C ATOM 398 CD GLU A 27 -16.011 9.049 -3.866 1.00 0.00 C ATOM 399 OE1 GLU A 27 -16.452 7.879 -3.859 1.00 0.00 O ATOM 400 OE2 GLU A 27 -16.615 10.059 -4.289 1.00 0.00 O ATOM 0 H GLU A 27 -14.494 7.156 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.759 8.068 -2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.465 8.517 -1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.624 10.044 -1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.258 10.268 -3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.911 8.564 -3.776 1.00 0.00 H new ATOM 407 N GLU A 28 -12.908 9.438 0.749 1.00 0.00 N ATOM 408 CA GLU A 28 -12.175 10.262 1.695 1.00 0.00 C ATOM 409 C GLU A 28 -10.742 9.748 1.848 1.00 0.00 C ATOM 410 O GLU A 28 -9.789 10.520 1.760 1.00 0.00 O ATOM 411 CB GLU A 28 -12.887 10.311 3.048 1.00 0.00 C ATOM 412 CG GLU A 28 -12.997 11.749 3.559 1.00 0.00 C ATOM 413 CD GLU A 28 -12.323 11.898 4.925 1.00 0.00 C ATOM 414 OE1 GLU A 28 -11.265 11.259 5.108 1.00 0.00 O ATOM 415 OE2 GLU A 28 -12.883 12.647 5.754 1.00 0.00 O ATOM 0 H GLU A 28 -13.789 9.064 1.102 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.136 11.279 1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.883 9.877 2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.342 9.705 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.533 12.429 2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.047 12.033 3.634 1.00 0.00 H new ATOM 422 N LYS A 29 -10.635 8.447 2.074 1.00 0.00 N ATOM 423 CA LYS A 29 -9.335 7.820 2.240 1.00 0.00 C ATOM 424 C LYS A 29 -8.374 8.362 1.180 1.00 0.00 C ATOM 425 O LYS A 29 -8.702 8.389 -0.005 1.00 0.00 O ATOM 426 CB LYS A 29 -9.469 6.296 2.227 1.00 0.00 C ATOM 427 CG LYS A 29 -10.352 5.814 3.380 1.00 0.00 C ATOM 428 CD LYS A 29 -10.235 4.299 3.563 1.00 0.00 C ATOM 429 CE LYS A 29 -10.229 3.925 5.047 1.00 0.00 C ATOM 430 NZ LYS A 29 -10.211 2.454 5.210 1.00 0.00 N ATOM 0 H LYS A 29 -11.428 7.810 2.146 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.912 8.071 3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.896 5.973 1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.482 5.840 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.061 6.319 4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.390 6.081 3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.067 3.803 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.320 3.942 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.358 4.362 5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.110 4.340 5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.207 2.217 6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.056 2.045 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.358 2.065 4.760 1.00 0.00 H new ATOM 444 N ARG A 30 -7.205 8.780 1.645 1.00 0.00 N ATOM 445 CA ARG A 30 -6.194 9.320 0.752 1.00 0.00 C ATOM 446 C ARG A 30 -4.970 8.403 0.720 1.00 0.00 C ATOM 447 O ARG A 30 -4.320 8.265 -0.314 1.00 0.00 O ATOM 448 CB ARG A 30 -5.763 10.721 1.191 1.00 0.00 C ATOM 449 CG ARG A 30 -6.695 11.788 0.614 1.00 0.00 C ATOM 450 CD ARG A 30 -6.081 12.440 -0.626 1.00 0.00 C ATOM 451 NE ARG A 30 -5.546 13.777 -0.282 1.00 0.00 N ATOM 452 CZ ARG A 30 -5.146 14.681 -1.186 1.00 0.00 C ATOM 453 NH1 ARG A 30 -5.217 14.398 -2.494 1.00 0.00 N ATOM 454 NH2 ARG A 30 -4.673 15.868 -0.782 1.00 0.00 N ATOM 0 H ARG A 30 -6.936 8.755 2.629 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.631 9.383 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.765 10.782 2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.741 10.910 0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.653 11.338 0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.894 12.549 1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.284 11.811 -1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.833 12.531 -1.410 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.478 14.025 0.705 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.576 13.494 -2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.912 15.087 -3.182 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.618 16.083 0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.368 16.557 -1.470 1.00 0.00 H new ATOM 468 N SER A 31 -4.693 7.799 1.867 1.00 0.00 N ATOM 469 CA SER A 31 -3.558 6.899 1.984 1.00 0.00 C ATOM 470 C SER A 31 -3.884 5.771 2.964 1.00 0.00 C ATOM 471 O SER A 31 -4.604 5.980 3.940 1.00 0.00 O ATOM 472 CB SER A 31 -2.304 7.650 2.436 1.00 0.00 C ATOM 473 OG SER A 31 -2.361 9.034 2.102 1.00 0.00 O ATOM 0 H SER A 31 -5.235 7.915 2.723 1.00 0.00 H new ATOM 0 HA SER A 31 -3.358 6.471 1.002 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.186 7.542 3.514 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.426 7.201 1.972 1.00 0.00 H new ATOM 0 HG SER A 31 -1.543 9.478 2.409 1.00 0.00 H new ATOM 479 N LEU A 32 -3.339 4.600 2.671 1.00 0.00 N ATOM 480 CA LEU A 32 -3.562 3.438 3.515 1.00 0.00 C ATOM 481 C LEU A 32 -2.257 3.067 4.221 1.00 0.00 C ATOM 482 O LEU A 32 -1.172 3.378 3.732 1.00 0.00 O ATOM 483 CB LEU A 32 -4.168 2.293 2.701 1.00 0.00 C ATOM 484 CG LEU A 32 -4.667 1.090 3.503 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.951 1.432 4.263 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.843 -0.135 2.604 1.00 0.00 C ATOM 0 H LEU A 32 -2.743 4.430 1.861 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.291 3.667 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.001 2.688 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.420 1.945 1.989 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.910 0.838 4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.285 0.560 4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.758 2.255 4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.726 1.725 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.199 -0.976 3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.569 0.089 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.887 -0.392 2.148 1.00 0.00 H new ATOM 498 N GLU A 33 -2.404 2.406 5.360 1.00 0.00 N ATOM 499 CA GLU A 33 -1.250 1.989 6.139 1.00 0.00 C ATOM 500 C GLU A 33 -1.331 0.493 6.448 1.00 0.00 C ATOM 501 O GLU A 33 -2.281 0.037 7.083 1.00 0.00 O ATOM 502 CB GLU A 33 -1.131 2.809 7.425 1.00 0.00 C ATOM 503 CG GLU A 33 -1.406 4.291 7.158 1.00 0.00 C ATOM 504 CD GLU A 33 -1.510 5.074 8.468 1.00 0.00 C ATOM 505 OE1 GLU A 33 -2.326 4.653 9.317 1.00 0.00 O ATOM 506 OE2 GLU A 33 -0.772 6.075 8.591 1.00 0.00 O ATOM 0 H GLU A 33 -3.305 2.149 5.762 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.352 2.170 5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.835 2.433 8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.132 2.691 7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.608 4.708 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.332 4.397 6.593 1.00 0.00 H new ATOM 513 N LEU A 34 -0.322 -0.230 5.984 1.00 0.00 N ATOM 514 CA LEU A 34 -0.267 -1.665 6.203 1.00 0.00 C ATOM 515 C LEU A 34 0.579 -1.955 7.444 1.00 0.00 C ATOM 516 O LEU A 34 1.116 -1.037 8.063 1.00 0.00 O ATOM 517 CB LEU A 34 0.223 -2.381 4.943 1.00 0.00 C ATOM 518 CG LEU A 34 -0.822 -2.602 3.848 1.00 0.00 C ATOM 519 CD1 LEU A 34 -0.157 -2.997 2.528 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.871 -3.624 4.289 1.00 0.00 C ATOM 0 H LEU A 34 0.464 0.152 5.457 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.264 -2.059 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.047 -1.807 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.626 -3.351 5.234 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.343 -1.660 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.922 -3.148 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.520 -2.204 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.405 -3.921 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.602 -3.762 3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.384 -4.575 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.376 -3.264 5.185 1.00 0.00 H new ATOM 532 N ASP A 35 0.673 -3.236 7.772 1.00 0.00 N ATOM 533 CA ASP A 35 1.445 -3.658 8.928 1.00 0.00 C ATOM 534 C ASP A 35 2.917 -3.791 8.532 1.00 0.00 C ATOM 535 O ASP A 35 3.229 -4.063 7.374 1.00 0.00 O ATOM 536 CB ASP A 35 0.969 -5.018 9.441 1.00 0.00 C ATOM 537 CG ASP A 35 0.664 -5.073 10.939 1.00 0.00 C ATOM 538 OD1 ASP A 35 -0.175 -4.257 11.378 1.00 0.00 O ATOM 539 OD2 ASP A 35 1.276 -5.930 11.612 1.00 0.00 O ATOM 0 H ASP A 35 0.227 -3.995 7.257 1.00 0.00 H new ATOM 0 HA ASP A 35 1.315 -2.911 9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.071 -5.303 8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.732 -5.763 9.213 1.00 0.00 H new ATOM 544 N PRO A 36 3.805 -3.588 9.542 1.00 0.00 N ATOM 545 CA PRO A 36 5.236 -3.683 9.310 1.00 0.00 C ATOM 546 C PRO A 36 5.674 -5.142 9.173 1.00 0.00 C ATOM 547 O PRO A 36 5.592 -5.912 10.129 1.00 0.00 O ATOM 548 CB PRO A 36 5.874 -2.981 10.498 1.00 0.00 C ATOM 549 CG PRO A 36 4.803 -2.929 11.576 1.00 0.00 C ATOM 550 CD PRO A 36 3.470 -3.264 10.925 1.00 0.00 C ATOM 0 HA PRO A 36 5.542 -3.214 8.375 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.753 -3.524 10.846 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.205 -1.978 10.228 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.028 -3.639 12.372 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.767 -1.939 12.031 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.986 -4.104 11.423 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.780 -2.422 10.979 1.00 0.00 H new ATOM 558 N CYS A 37 6.129 -5.480 7.975 1.00 0.00 N ATOM 559 CA CYS A 37 6.580 -6.833 7.700 1.00 0.00 C ATOM 560 C CYS A 37 8.071 -6.921 8.036 1.00 0.00 C ATOM 561 O CYS A 37 8.723 -5.900 8.249 1.00 0.00 O ATOM 562 CB CYS A 37 6.297 -7.241 6.253 1.00 0.00 C ATOM 563 SG CYS A 37 7.034 -6.023 5.103 1.00 0.00 S ATOM 0 H CYS A 37 6.195 -4.840 7.184 1.00 0.00 H new ATOM 0 HA CYS A 37 6.026 -7.536 8.322 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.708 -8.232 6.059 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.221 -7.304 6.088 1.00 0.00 H new ATOM 0 HG CYS A 37 8.002 -5.393 5.700 1.00 0.00 H new ATOM 569 N THR A 38 8.565 -8.149 8.073 1.00 0.00 N ATOM 570 CA THR A 38 9.966 -8.383 8.379 1.00 0.00 C ATOM 571 C THR A 38 10.849 -7.926 7.217 1.00 0.00 C ATOM 572 O THR A 38 11.861 -7.258 7.426 1.00 0.00 O ATOM 573 CB THR A 38 10.133 -9.865 8.723 1.00 0.00 C ATOM 574 OG1 THR A 38 11.540 -10.026 8.888 1.00 0.00 O ATOM 575 CG2 THR A 38 9.789 -10.782 7.548 1.00 0.00 C ATOM 0 H THR A 38 8.020 -8.993 7.896 1.00 0.00 H new ATOM 0 HA THR A 38 10.287 -7.796 9.240 1.00 0.00 H new ATOM 0 HB THR A 38 9.499 -10.113 9.574 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.738 -10.959 9.115 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.924 -11.822 7.846 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.752 -10.621 7.253 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.445 -10.557 6.707 1.00 0.00 H new ATOM 583 N GLY A 39 10.436 -8.304 6.016 1.00 0.00 N ATOM 584 CA GLY A 39 11.177 -7.942 4.820 1.00 0.00 C ATOM 585 C GLY A 39 10.661 -8.709 3.601 1.00 0.00 C ATOM 586 O GLY A 39 10.075 -8.119 2.694 1.00 0.00 O ATOM 0 H GLY A 39 9.597 -8.858 5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.088 -6.870 4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.236 -8.154 4.966 1.00 0.00 H new ATOM 590 N PHE A 40 10.897 -10.013 3.619 1.00 0.00 N ATOM 591 CA PHE A 40 10.463 -10.867 2.527 1.00 0.00 C ATOM 592 C PHE A 40 9.096 -10.428 1.998 1.00 0.00 C ATOM 593 O PHE A 40 8.962 -10.084 0.824 1.00 0.00 O ATOM 594 CB PHE A 40 10.349 -12.286 3.086 1.00 0.00 C ATOM 595 CG PHE A 40 10.140 -13.361 2.018 1.00 0.00 C ATOM 596 CD1 PHE A 40 10.842 -13.309 0.854 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.253 -14.370 2.233 1.00 0.00 C ATOM 598 CE1 PHE A 40 10.648 -14.307 -0.137 1.00 0.00 C ATOM 599 CE2 PHE A 40 9.059 -15.368 1.242 1.00 0.00 C ATOM 600 CZ PHE A 40 9.761 -15.315 0.078 1.00 0.00 C ATOM 0 H PHE A 40 11.383 -10.499 4.373 1.00 0.00 H new ATOM 0 HA PHE A 40 11.176 -10.810 1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.254 -12.518 3.648 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.518 -12.322 3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.547 -12.509 0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.696 -14.412 3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.205 -14.266 -1.061 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.355 -16.169 1.412 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.614 -16.074 -0.676 1.00 0.00 H new ATOM 610 N GLN A 41 8.116 -10.456 2.888 1.00 0.00 N ATOM 611 CA GLN A 41 6.764 -10.066 2.526 1.00 0.00 C ATOM 612 C GLN A 41 6.773 -8.701 1.835 1.00 0.00 C ATOM 613 O GLN A 41 6.056 -8.492 0.857 1.00 0.00 O ATOM 614 CB GLN A 41 5.849 -10.054 3.752 1.00 0.00 C ATOM 615 CG GLN A 41 5.831 -11.423 4.436 1.00 0.00 C ATOM 616 CD GLN A 41 5.473 -12.529 3.441 1.00 0.00 C ATOM 617 OE1 GLN A 41 6.247 -13.433 3.174 1.00 0.00 O ATOM 618 NE2 GLN A 41 4.260 -12.406 2.910 1.00 0.00 N ATOM 0 H GLN A 41 8.231 -10.743 3.860 1.00 0.00 H new ATOM 0 HA GLN A 41 6.369 -10.803 1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.190 -9.296 4.457 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.837 -9.780 3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.807 -11.627 4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.109 -11.416 5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.663 -11.624 3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.927 -13.094 2.235 1.00 0.00 H new ATOM 627 N ARG A 42 7.591 -7.808 2.371 1.00 0.00 N ATOM 628 CA ARG A 42 7.703 -6.468 1.818 1.00 0.00 C ATOM 629 C ARG A 42 7.922 -6.535 0.305 1.00 0.00 C ATOM 630 O ARG A 42 7.174 -5.932 -0.462 1.00 0.00 O ATOM 631 CB ARG A 42 8.860 -5.702 2.461 1.00 0.00 C ATOM 632 CG ARG A 42 8.545 -4.207 2.549 1.00 0.00 C ATOM 633 CD ARG A 42 9.830 -3.377 2.580 1.00 0.00 C ATOM 634 NE ARG A 42 10.461 -3.470 3.915 1.00 0.00 N ATOM 635 CZ ARG A 42 11.432 -4.338 4.228 1.00 0.00 C ATOM 636 NH1 ARG A 42 11.890 -5.193 3.304 1.00 0.00 N ATOM 637 NH2 ARG A 42 11.946 -4.352 5.466 1.00 0.00 N ATOM 0 H ARG A 42 8.183 -7.985 3.183 1.00 0.00 H new ATOM 0 HA ARG A 42 6.772 -5.942 2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.052 -6.096 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.769 -5.852 1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.936 -3.909 1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.957 -4.008 3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.521 -3.733 1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.606 -2.336 2.346 1.00 0.00 H new ATOM 0 HE ARG A 42 10.136 -2.833 4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.499 -5.183 2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.629 -5.854 3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.598 -3.701 6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.685 -5.013 5.704 1.00 0.00 H new ATOM 651 N LYS A 43 8.953 -7.274 -0.079 1.00 0.00 N ATOM 652 CA LYS A 43 9.280 -7.428 -1.486 1.00 0.00 C ATOM 653 C LYS A 43 8.052 -7.943 -2.238 1.00 0.00 C ATOM 654 O LYS A 43 7.767 -7.497 -3.348 1.00 0.00 O ATOM 655 CB LYS A 43 10.519 -8.310 -1.655 1.00 0.00 C ATOM 656 CG LYS A 43 11.664 -7.823 -0.763 1.00 0.00 C ATOM 657 CD LYS A 43 13.022 -8.173 -1.374 1.00 0.00 C ATOM 658 CE LYS A 43 13.160 -7.582 -2.779 1.00 0.00 C ATOM 659 NZ LYS A 43 14.555 -7.153 -3.025 1.00 0.00 N ATOM 0 H LYS A 43 9.572 -7.772 0.560 1.00 0.00 H new ATOM 0 HA LYS A 43 9.541 -6.464 -1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.272 -9.342 -1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.837 -8.302 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.590 -6.744 -0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.578 -8.276 0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.820 -7.794 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.137 -9.256 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.864 -8.322 -3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.487 -6.732 -2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.632 -6.754 -3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.824 -6.431 -2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.190 -7.972 -2.939 1.00 0.00 H new ATOM 673 N LEU A 44 7.357 -8.876 -1.603 1.00 0.00 N ATOM 674 CA LEU A 44 6.166 -9.457 -2.198 1.00 0.00 C ATOM 675 C LEU A 44 5.182 -8.341 -2.554 1.00 0.00 C ATOM 676 O LEU A 44 4.877 -8.128 -3.727 1.00 0.00 O ATOM 677 CB LEU A 44 5.575 -10.527 -1.279 1.00 0.00 C ATOM 678 CG LEU A 44 6.550 -11.595 -0.778 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.823 -12.659 0.046 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.337 -12.206 -1.938 1.00 0.00 C ATOM 0 H LEU A 44 7.596 -9.244 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 44 6.416 -9.970 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.134 -10.031 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.763 -11.025 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 44 7.272 -11.115 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.539 -13.405 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.347 -12.190 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.064 -13.141 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.022 -12.962 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.646 -12.667 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.904 -11.425 -2.444 1.00 0.00 H new ATOM 692 N ILE A 45 4.714 -7.657 -1.521 1.00 0.00 N ATOM 693 CA ILE A 45 3.772 -6.567 -1.710 1.00 0.00 C ATOM 694 C ILE A 45 4.182 -5.750 -2.937 1.00 0.00 C ATOM 695 O ILE A 45 3.434 -5.665 -3.909 1.00 0.00 O ATOM 696 CB ILE A 45 3.649 -5.736 -0.431 1.00 0.00 C ATOM 697 CG1 ILE A 45 3.054 -6.567 0.708 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.852 -4.455 -0.683 1.00 0.00 C ATOM 699 CD1 ILE A 45 3.015 -5.765 2.010 1.00 0.00 C ATOM 0 H ILE A 45 4.969 -7.836 -0.550 1.00 0.00 H new ATOM 0 HA ILE A 45 2.773 -6.957 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 45 4.650 -5.436 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.046 -6.885 0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.646 -7.471 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.780 -3.883 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.356 -3.856 -1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.851 -4.712 -1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.588 -6.379 2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.027 -5.469 2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.402 -4.874 1.871 1.00 0.00 H new ATOM 711 N TYR A 46 5.370 -5.170 -2.851 1.00 0.00 N ATOM 712 CA TYR A 46 5.889 -4.363 -3.942 1.00 0.00 C ATOM 713 C TYR A 46 5.896 -5.152 -5.253 1.00 0.00 C ATOM 714 O TYR A 46 5.673 -4.587 -6.323 1.00 0.00 O ATOM 715 CB TYR A 46 7.330 -4.016 -3.562 1.00 0.00 C ATOM 716 CG TYR A 46 7.455 -2.799 -2.642 1.00 0.00 C ATOM 717 CD1 TYR A 46 7.122 -1.544 -3.109 1.00 0.00 C ATOM 718 CD2 TYR A 46 7.901 -2.957 -1.346 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.240 -0.399 -2.244 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.019 -1.812 -0.481 1.00 0.00 C ATOM 721 CZ TYR A 46 7.682 -0.590 -0.972 1.00 0.00 C ATOM 722 OH TYR A 46 7.793 0.492 -0.155 1.00 0.00 O ATOM 0 H TYR A 46 5.988 -5.243 -2.043 1.00 0.00 H new ATOM 0 HA TYR A 46 5.271 -3.478 -4.091 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.783 -4.878 -3.072 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.900 -3.831 -4.472 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.773 -1.421 -4.124 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.162 -3.939 -0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.983 0.589 -2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.368 -1.922 0.535 1.00 0.00 H new ATOM 0 HH TYR A 46 7.305 1.247 -0.544 1.00 0.00 H new ATOM 732 N GLN A 47 6.154 -6.445 -5.126 1.00 0.00 N ATOM 733 CA GLN A 47 6.193 -7.318 -6.287 1.00 0.00 C ATOM 734 C GLN A 47 4.803 -7.425 -6.918 1.00 0.00 C ATOM 735 O GLN A 47 4.661 -7.330 -8.136 1.00 0.00 O ATOM 736 CB GLN A 47 6.735 -8.700 -5.917 1.00 0.00 C ATOM 737 CG GLN A 47 8.123 -8.924 -6.520 1.00 0.00 C ATOM 738 CD GLN A 47 8.064 -9.925 -7.675 1.00 0.00 C ATOM 739 OE1 GLN A 47 7.082 -10.027 -8.393 1.00 0.00 O ATOM 740 NE2 GLN A 47 9.167 -10.655 -7.816 1.00 0.00 N ATOM 0 H GLN A 47 6.338 -6.909 -4.237 1.00 0.00 H new ATOM 0 HA GLN A 47 6.871 -6.883 -7.021 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.786 -8.796 -4.832 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.051 -9.470 -6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.526 -7.976 -6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.803 -9.291 -5.751 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.953 -10.519 -7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.227 -11.351 -8.560 1.00 0.00 H new ATOM 749 N THR A 48 3.813 -7.621 -6.060 1.00 0.00 N ATOM 750 CA THR A 48 2.439 -7.742 -6.517 1.00 0.00 C ATOM 751 C THR A 48 1.949 -6.412 -7.093 1.00 0.00 C ATOM 752 O THR A 48 1.599 -6.332 -8.269 1.00 0.00 O ATOM 753 CB THR A 48 1.593 -8.245 -5.346 1.00 0.00 C ATOM 754 OG1 THR A 48 1.947 -9.621 -5.228 1.00 0.00 O ATOM 755 CG2 THR A 48 0.098 -8.272 -5.672 1.00 0.00 C ATOM 0 H THR A 48 3.935 -7.699 -5.050 1.00 0.00 H new ATOM 0 HA THR A 48 2.355 -8.463 -7.330 1.00 0.00 H new ATOM 0 HB THR A 48 1.763 -7.610 -4.476 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.191 -10.178 -5.507 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.456 -8.637 -4.807 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.238 -7.265 -5.921 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.077 -8.933 -6.521 1.00 0.00 H new ATOM 763 N LEU A 49 1.941 -5.401 -6.237 1.00 0.00 N ATOM 764 CA LEU A 49 1.500 -4.078 -6.645 1.00 0.00 C ATOM 765 C LEU A 49 2.240 -3.670 -7.920 1.00 0.00 C ATOM 766 O LEU A 49 1.747 -2.850 -8.693 1.00 0.00 O ATOM 767 CB LEU A 49 1.660 -3.081 -5.496 1.00 0.00 C ATOM 768 CG LEU A 49 1.077 -3.512 -4.148 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.234 -2.405 -3.104 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.380 -3.956 -4.298 1.00 0.00 C ATOM 0 H LEU A 49 2.233 -5.471 -5.262 1.00 0.00 H new ATOM 0 HA LEU A 49 0.436 -4.088 -6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.723 -2.879 -5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.191 -2.141 -5.789 1.00 0.00 H new ATOM 0 HG LEU A 49 1.641 -4.374 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.812 -2.737 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.292 -2.178 -2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.711 -1.510 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.771 -4.257 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.974 -3.129 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.435 -4.798 -4.988 1.00 0.00 H new ATOM 782 N SER A 50 3.412 -4.261 -8.101 1.00 0.00 N ATOM 783 CA SER A 50 4.225 -3.969 -9.270 1.00 0.00 C ATOM 784 C SER A 50 3.381 -4.097 -10.539 1.00 0.00 C ATOM 785 O SER A 50 3.478 -3.265 -11.440 1.00 0.00 O ATOM 786 CB SER A 50 5.438 -4.898 -9.342 1.00 0.00 C ATOM 787 OG SER A 50 6.619 -4.204 -9.736 1.00 0.00 O ATOM 0 H SER A 50 3.818 -4.941 -7.458 1.00 0.00 H new ATOM 0 HA SER A 50 4.590 -2.945 -9.187 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.598 -5.362 -8.369 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.237 -5.703 -10.049 1.00 0.00 H new ATOM 0 HG SER A 50 7.371 -4.831 -9.769 1.00 0.00 H new ATOM 793 N TRP A 51 2.572 -5.146 -10.571 1.00 0.00 N ATOM 794 CA TRP A 51 1.713 -5.394 -11.715 1.00 0.00 C ATOM 795 C TRP A 51 0.264 -5.174 -11.275 1.00 0.00 C ATOM 796 O TRP A 51 -0.574 -4.753 -12.071 1.00 0.00 O ATOM 797 CB TRP A 51 1.956 -6.790 -12.292 1.00 0.00 C ATOM 798 CG TRP A 51 2.046 -7.893 -11.236 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.141 -8.358 -10.618 1.00 0.00 C ATOM 800 CD2 TRP A 51 0.947 -8.656 -10.694 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.829 -9.360 -9.722 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.453 -9.547 -9.770 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.429 -8.595 -10.975 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.653 -10.444 -9.052 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.215 -9.498 -10.250 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.721 -10.401 -9.316 1.00 0.00 C ATOM 0 H TRP A 51 2.494 -5.834 -9.822 1.00 0.00 H new ATOM 0 HA TRP A 51 1.941 -4.701 -12.525 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.150 -7.030 -12.986 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.881 -6.777 -12.869 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.142 -7.994 -10.799 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.487 -9.870 -9.133 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.847 -7.906 -11.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.073 -11.132 -8.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.280 -9.493 -10.429 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.394 -11.067 -8.796 1.00 0.00 H new ATOM 817 N LYS A 52 0.013 -5.469 -10.008 1.00 0.00 N ATOM 818 CA LYS A 52 -1.320 -5.308 -9.452 1.00 0.00 C ATOM 819 C LYS A 52 -1.724 -3.835 -9.525 1.00 0.00 C ATOM 820 O LYS A 52 -2.846 -3.514 -9.916 1.00 0.00 O ATOM 821 CB LYS A 52 -1.386 -5.894 -8.040 1.00 0.00 C ATOM 822 CG LYS A 52 -1.823 -7.360 -8.074 1.00 0.00 C ATOM 823 CD LYS A 52 -2.891 -7.638 -7.015 1.00 0.00 C ATOM 824 CE LYS A 52 -2.701 -9.024 -6.396 1.00 0.00 C ATOM 825 NZ LYS A 52 -3.975 -9.777 -6.409 1.00 0.00 N ATOM 0 H LYS A 52 0.710 -5.819 -9.350 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.048 -5.868 -10.039 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.409 -5.813 -7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.085 -5.316 -7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.213 -7.604 -9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.961 -8.004 -7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.842 -6.878 -6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.881 -7.569 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.941 -9.575 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.341 -8.925 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.958 -10.502 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.766 -9.124 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.098 -10.236 -7.334 1.00 0.00 H new ATOM 839 N TYR A 53 -0.789 -2.977 -9.144 1.00 0.00 N ATOM 840 CA TYR A 53 -1.034 -1.545 -9.162 1.00 0.00 C ATOM 841 C TYR A 53 0.243 -0.775 -9.503 1.00 0.00 C ATOM 842 O TYR A 53 0.883 -0.206 -8.621 1.00 0.00 O ATOM 843 CB TYR A 53 -1.475 -1.175 -7.744 1.00 0.00 C ATOM 844 CG TYR A 53 -2.715 -1.930 -7.261 1.00 0.00 C ATOM 845 CD1 TYR A 53 -2.581 -3.169 -6.668 1.00 0.00 C ATOM 846 CD2 TYR A 53 -3.967 -1.372 -7.418 1.00 0.00 C ATOM 847 CE1 TYR A 53 -3.748 -3.880 -6.214 1.00 0.00 C ATOM 848 CE2 TYR A 53 -5.134 -2.082 -6.963 1.00 0.00 C ATOM 849 CZ TYR A 53 -4.967 -3.301 -6.383 1.00 0.00 C ATOM 850 OH TYR A 53 -6.070 -3.972 -5.954 1.00 0.00 O ATOM 0 H TYR A 53 0.140 -3.246 -8.821 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.783 -1.293 -9.912 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.652 -1.370 -7.056 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.676 -0.104 -7.705 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.601 -3.605 -6.544 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.072 -0.403 -7.882 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.657 -4.851 -5.750 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.120 -1.656 -7.080 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.870 -3.438 -6.139 1.00 0.00 H new ATOM 860 N PRO A 54 0.583 -0.782 -10.820 1.00 0.00 N ATOM 861 CA PRO A 54 1.772 -0.090 -11.289 1.00 0.00 C ATOM 862 C PRO A 54 1.550 1.423 -11.319 1.00 0.00 C ATOM 863 O PRO A 54 2.369 2.184 -10.807 1.00 0.00 O ATOM 864 CB PRO A 54 2.051 -0.677 -12.664 1.00 0.00 C ATOM 865 CG PRO A 54 0.754 -1.333 -13.108 1.00 0.00 C ATOM 866 CD PRO A 54 -0.152 -1.445 -11.893 1.00 0.00 C ATOM 0 HA PRO A 54 2.628 -0.230 -10.629 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.356 0.099 -13.366 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.862 -1.404 -12.621 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.275 -0.742 -13.888 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.950 -2.319 -13.530 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.114 -0.964 -12.070 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.358 -2.487 -11.647 1.00 0.00 H new ATOM 874 N LYS A 55 0.438 1.815 -11.924 1.00 0.00 N ATOM 875 CA LYS A 55 0.098 3.224 -12.027 1.00 0.00 C ATOM 876 C LYS A 55 -1.296 3.452 -11.440 1.00 0.00 C ATOM 877 O LYS A 55 -2.268 2.840 -11.883 1.00 0.00 O ATOM 878 CB LYS A 55 0.244 3.706 -13.472 1.00 0.00 C ATOM 879 CG LYS A 55 -0.662 2.906 -14.411 1.00 0.00 C ATOM 880 CD LYS A 55 -1.789 3.781 -14.961 1.00 0.00 C ATOM 881 CE LYS A 55 -1.767 3.806 -16.491 1.00 0.00 C ATOM 882 NZ LYS A 55 -2.708 4.825 -17.007 1.00 0.00 N ATOM 0 H LYS A 55 -0.239 1.181 -12.348 1.00 0.00 H new ATOM 0 HA LYS A 55 0.793 3.827 -11.443 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.007 4.765 -13.533 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.282 3.606 -13.789 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.073 2.504 -15.236 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.085 2.055 -13.877 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.750 3.403 -14.614 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.688 4.796 -14.576 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.758 4.023 -16.842 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.036 2.824 -16.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.680 4.828 -18.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.672 4.601 -16.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.434 5.763 -16.650 1.00 0.00 H new ATOM 896 N GLY A 56 -1.351 4.334 -10.453 1.00 0.00 N ATOM 897 CA GLY A 56 -2.611 4.650 -9.802 1.00 0.00 C ATOM 898 C GLY A 56 -2.404 4.915 -8.309 1.00 0.00 C ATOM 899 O GLY A 56 -3.092 5.750 -7.722 1.00 0.00 O ATOM 0 H GLY A 56 -0.544 4.840 -10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.058 5.526 -10.272 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.311 3.825 -9.935 1.00 0.00 H new ATOM 903 N ILE A 57 -1.455 4.190 -7.737 1.00 0.00 N ATOM 904 CA ILE A 57 -1.149 4.336 -6.324 1.00 0.00 C ATOM 905 C ILE A 57 0.363 4.491 -6.147 1.00 0.00 C ATOM 906 O ILE A 57 1.131 4.213 -7.067 1.00 0.00 O ATOM 907 CB ILE A 57 -1.746 3.177 -5.524 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.458 1.836 -6.203 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.242 3.389 -5.285 1.00 0.00 C ATOM 910 CD1 ILE A 57 0.035 1.680 -6.497 1.00 0.00 C ATOM 0 H ILE A 57 -0.887 3.499 -8.227 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.611 5.239 -5.926 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.264 3.153 -4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.793 1.020 -5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.024 1.765 -7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.642 2.551 -4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.394 4.313 -4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.758 3.454 -6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.212 0.719 -6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.362 2.483 -7.157 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.596 1.727 -5.564 1.00 0.00 H new ATOM 922 N HIS A 58 0.745 4.935 -4.959 1.00 0.00 N ATOM 923 CA HIS A 58 2.151 5.131 -4.650 1.00 0.00 C ATOM 924 C HIS A 58 2.483 4.452 -3.320 1.00 0.00 C ATOM 925 O HIS A 58 2.038 4.897 -2.263 1.00 0.00 O ATOM 926 CB HIS A 58 2.508 6.619 -4.661 1.00 0.00 C ATOM 927 CG HIS A 58 3.851 6.933 -4.048 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.849 7.604 -4.733 1.00 0.00 N ATOM 929 CD2 HIS A 58 4.351 6.661 -2.808 1.00 0.00 C ATOM 930 CE1 HIS A 58 5.898 7.725 -3.932 1.00 0.00 C ATOM 931 NE2 HIS A 58 5.587 7.139 -2.740 1.00 0.00 N ATOM 0 H HIS A 58 0.105 5.165 -4.199 1.00 0.00 H new ATOM 0 HA HIS A 58 2.765 4.664 -5.420 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.497 6.977 -5.690 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.737 7.171 -4.124 1.00 0.00 H new ATOM 0 HD1 HIS A 58 4.788 7.947 -5.692 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.829 6.144 -2.016 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.834 8.203 -4.179 1.00 0.00 H new ATOM 939 N VAL A 59 3.262 3.385 -3.415 1.00 0.00 N ATOM 940 CA VAL A 59 3.659 2.639 -2.233 1.00 0.00 C ATOM 941 C VAL A 59 4.933 3.256 -1.651 1.00 0.00 C ATOM 942 O VAL A 59 5.878 3.543 -2.383 1.00 0.00 O ATOM 943 CB VAL A 59 3.816 1.157 -2.577 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.213 0.346 -1.341 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.537 0.602 -3.208 1.00 0.00 C ATOM 0 H VAL A 59 3.629 3.019 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 59 2.887 2.700 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 59 4.618 1.067 -3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.318 -0.704 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.161 0.717 -0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.443 0.447 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.676 -0.453 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.709 0.712 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.315 1.151 -4.123 1.00 0.00 H new ATOM 955 N GLU A 60 4.916 3.441 -0.339 1.00 0.00 N ATOM 956 CA GLU A 60 6.058 4.018 0.350 1.00 0.00 C ATOM 957 C GLU A 60 6.258 3.339 1.706 1.00 0.00 C ATOM 958 O GLU A 60 5.291 3.052 2.410 1.00 0.00 O ATOM 959 CB GLU A 60 5.893 5.530 0.513 1.00 0.00 C ATOM 960 CG GLU A 60 4.482 5.879 0.992 1.00 0.00 C ATOM 961 CD GLU A 60 3.985 7.171 0.339 1.00 0.00 C ATOM 962 OE1 GLU A 60 4.741 8.165 0.400 1.00 0.00 O ATOM 963 OE2 GLU A 60 2.861 7.134 -0.207 1.00 0.00 O ATOM 0 H GLU A 60 4.130 3.202 0.265 1.00 0.00 H new ATOM 0 HA GLU A 60 6.948 3.846 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.626 5.905 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.091 6.026 -0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.801 5.062 0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.479 5.991 2.076 1.00 0.00 H new ATOM 970 N THR A 61 7.520 3.101 2.032 1.00 0.00 N ATOM 971 CA THR A 61 7.860 2.461 3.292 1.00 0.00 C ATOM 972 C THR A 61 8.526 3.463 4.237 1.00 0.00 C ATOM 973 O THR A 61 9.510 4.105 3.874 1.00 0.00 O ATOM 974 CB THR A 61 8.735 1.244 2.983 1.00 0.00 C ATOM 975 OG1 THR A 61 7.806 0.244 2.571 1.00 0.00 O ATOM 976 CG2 THR A 61 9.383 0.655 4.237 1.00 0.00 C ATOM 0 H THR A 61 8.320 3.340 1.446 1.00 0.00 H new ATOM 0 HA THR A 61 6.967 2.115 3.813 1.00 0.00 H new ATOM 0 HB THR A 61 9.511 1.527 2.272 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.791 0.195 1.592 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.993 -0.206 3.962 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.012 1.409 4.710 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.607 0.341 4.935 1.00 0.00 H new ATOM 1127 N HIS A 70 7.268 0.282 7.863 1.00 0.00 N ATOM 1128 CA HIS A 70 5.942 -0.178 7.490 1.00 0.00 C ATOM 1129 C HIS A 70 5.586 0.355 6.101 1.00 0.00 C ATOM 1130 O HIS A 70 5.976 1.463 5.738 1.00 0.00 O ATOM 1131 CB HIS A 70 4.913 0.207 8.555 1.00 0.00 C ATOM 1132 CG HIS A 70 4.268 1.553 8.326 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.921 1.785 8.543 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.799 2.735 7.900 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.663 3.053 8.255 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.828 3.640 7.856 1.00 0.00 N ATOM 0 HA HIS A 70 5.933 -1.267 7.437 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.136 -0.556 8.587 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.398 0.209 9.531 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.242 1.097 8.869 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.834 2.906 7.642 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.700 3.536 8.324 1.00 0.00 H new ATOM 1144 N ILE A 71 4.848 -0.460 5.361 1.00 0.00 N ATOM 1145 CA ILE A 71 4.435 -0.084 4.019 1.00 0.00 C ATOM 1146 C ILE A 71 3.217 0.838 4.105 1.00 0.00 C ATOM 1147 O ILE A 71 2.356 0.657 4.965 1.00 0.00 O ATOM 1148 CB ILE A 71 4.203 -1.330 3.161 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.531 -1.915 2.675 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.251 -1.028 2.002 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.331 -3.314 2.090 1.00 0.00 C ATOM 0 H ILE A 71 4.526 -1.379 5.665 1.00 0.00 H new ATOM 0 HA ILE A 71 5.226 0.476 3.520 1.00 0.00 H new ATOM 0 HB ILE A 71 3.725 -2.088 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.967 -1.260 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.238 -1.961 3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.103 -1.930 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.292 -0.692 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.679 -0.246 1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.290 -3.707 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.918 -3.972 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.643 -3.261 1.246 1.00 0.00 H new ATOM 1163 N VAL A 72 3.184 1.808 3.202 1.00 0.00 N ATOM 1164 CA VAL A 72 2.087 2.759 3.165 1.00 0.00 C ATOM 1165 C VAL A 72 1.682 3.008 1.711 1.00 0.00 C ATOM 1166 O VAL A 72 2.538 3.095 0.831 1.00 0.00 O ATOM 1167 CB VAL A 72 2.479 4.040 3.905 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.639 5.227 3.428 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.360 3.857 5.419 1.00 0.00 C ATOM 0 H VAL A 72 3.900 1.955 2.491 1.00 0.00 H new ATOM 0 HA VAL A 72 1.215 2.356 3.680 1.00 0.00 H new ATOM 0 HB VAL A 72 3.523 4.254 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.937 6.125 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.796 5.378 2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.584 5.025 3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.644 4.782 5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.331 3.607 5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.020 3.052 5.741 1.00 0.00 H new ATOM 1179 N ILE A 73 0.378 3.116 1.503 1.00 0.00 N ATOM 1180 CA ILE A 73 -0.150 3.354 0.170 1.00 0.00 C ATOM 1181 C ILE A 73 -0.765 4.754 0.112 1.00 0.00 C ATOM 1182 O ILE A 73 -1.400 5.197 1.068 1.00 0.00 O ATOM 1183 CB ILE A 73 -1.119 2.239 -0.229 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.395 0.895 -0.334 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.860 2.593 -1.520 1.00 0.00 C ATOM 1186 CD1 ILE A 73 -0.126 0.308 1.053 1.00 0.00 C ATOM 0 H ILE A 73 -0.329 3.043 2.235 1.00 0.00 H new ATOM 0 HA ILE A 73 0.652 3.327 -0.568 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.869 2.141 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.997 0.198 -0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.547 1.026 -0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.542 1.784 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.427 3.513 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.140 2.735 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.389 -0.647 0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.496 0.996 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.072 0.156 1.573 1.00 0.00 H new ATOM 1198 N SER A 74 -0.555 5.411 -1.019 1.00 0.00 N ATOM 1199 CA SER A 74 -1.081 6.751 -1.214 1.00 0.00 C ATOM 1200 C SER A 74 -1.895 6.811 -2.509 1.00 0.00 C ATOM 1201 O SER A 74 -1.697 5.995 -3.408 1.00 0.00 O ATOM 1202 CB SER A 74 0.045 7.786 -1.247 1.00 0.00 C ATOM 1203 OG SER A 74 -0.278 8.901 -2.074 1.00 0.00 O ATOM 0 H SER A 74 -0.028 5.040 -1.810 1.00 0.00 H new ATOM 0 HA SER A 74 -1.731 6.988 -0.372 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.248 8.133 -0.234 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.958 7.316 -1.612 1.00 0.00 H new ATOM 0 HG SER A 74 0.465 9.540 -2.067 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.792 7.784 -2.562 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.636 7.961 -3.731 1.00 0.00 C ATOM 1211 C LYS A 75 -2.858 8.721 -4.807 1.00 0.00 C ATOM 1212 O LYS A 75 -2.330 9.802 -4.549 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.958 8.626 -3.343 1.00 0.00 C ATOM 1214 CG LYS A 75 -6.112 7.623 -3.390 1.00 0.00 C ATOM 1215 CD LYS A 75 -7.099 7.869 -2.248 1.00 0.00 C ATOM 1216 CE LYS A 75 -8.333 6.975 -2.388 1.00 0.00 C ATOM 1217 NZ LYS A 75 -9.485 7.756 -2.891 1.00 0.00 N ATOM 0 H LYS A 75 -2.953 8.458 -1.814 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.905 6.994 -4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.877 9.046 -2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.164 9.455 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.629 7.703 -4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.719 6.608 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.611 7.675 -1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.402 8.916 -2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.118 6.153 -3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.580 6.532 -1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.168 7.115 -3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.944 8.248 -2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.154 8.454 -3.587 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.810 8.126 -5.990 1.00 0.00 N ATOM 1232 CA VAL A 76 -2.105 8.734 -7.105 1.00 0.00 C ATOM 1233 C VAL A 76 -3.052 8.844 -8.302 1.00 0.00 C ATOM 1234 O VAL A 76 -4.088 8.182 -8.342 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.836 7.938 -7.418 1.00 0.00 C ATOM 1236 CG1 VAL A 76 -0.097 8.534 -8.618 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.078 7.862 -6.194 1.00 0.00 C ATOM 0 H VAL A 76 -3.248 7.229 -6.200 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.785 9.744 -6.850 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.133 6.922 -7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.801 7.950 -8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.747 8.513 -9.493 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.182 9.564 -8.398 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.973 7.291 -6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.363 8.869 -5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.449 7.371 -5.376 1.00 0.00 H new