USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 26 CYS SG : rot -140:sc= 0.12 USER MOD Set 1.2: A 28 HIS : no HE2:sc= -0.761 K(o=1.4,f=0.0049) USER MOD Set 1.3: A 30 TYR OH : rot 0:sc= 0.0958 USER MOD Set 1.4: A 51 CYS SG : rot -48:sc= 1.52 USER MOD Set 1.5: A 56 CYS SG : rot -158:sc= 0.419 USER MOD Set 2.1: A 10 CYS SG : rot 52:sc= -0.878 USER MOD Set 2.2: A 13 THR OG1 : rot 150:sc= -0.635 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= -0.043 (180deg=-0.305) USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= -2.35! (180deg=-2.4!) USER MOD Single : A 23 ASN : amide:sc= -4.98! C(o=-5!,f=-13!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 90:sc= 0.475 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.246 USER MOD Single : A 53 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.58) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.64 K(o=-1.6,f=-4.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 0.741 9.547 8.024 1.00 0.00 N ATOM 67 CA PHE A 8 0.118 8.232 8.114 1.00 0.00 C ATOM 68 C PHE A 8 1.154 7.160 8.439 1.00 0.00 C ATOM 69 O PHE A 8 2.085 6.924 7.669 1.00 0.00 O ATOM 70 CB PHE A 8 -0.591 7.890 6.802 1.00 0.00 C ATOM 71 CG PHE A 8 -1.930 8.555 6.653 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.024 9.856 6.184 1.00 0.00 C ATOM 73 CD2 PHE A 8 -3.094 7.880 6.981 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.254 10.470 6.047 1.00 0.00 C ATOM 75 CE2 PHE A 8 -4.328 8.489 6.845 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.407 9.785 6.377 1.00 0.00 C ATOM 0 HA PHE A 8 -0.616 8.260 8.920 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.046 8.182 5.967 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.722 6.810 6.740 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.126 10.396 5.923 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.037 6.866 7.347 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.314 11.485 5.682 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.228 7.952 7.104 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.369 10.263 6.269 1.00 0.00 H new ATOM 86 N THR A 9 0.985 6.512 9.588 1.00 0.00 N ATOM 87 CA THR A 9 1.905 5.467 10.018 1.00 0.00 C ATOM 88 C THR A 9 1.173 4.148 10.242 1.00 0.00 C ATOM 89 O THR A 9 0.055 4.128 10.757 1.00 0.00 O ATOM 90 CB THR A 9 2.637 5.861 11.315 1.00 0.00 C ATOM 91 OG1 THR A 9 1.976 6.971 11.932 1.00 0.00 O ATOM 92 CG2 THR A 9 4.087 6.221 11.030 1.00 0.00 C ATOM 0 H THR A 9 0.219 6.693 10.237 1.00 0.00 H new ATOM 0 HA THR A 9 2.637 5.343 9.220 1.00 0.00 H new ATOM 0 HB THR A 9 2.618 5.006 11.991 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.446 7.214 12.757 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.583 6.496 11.961 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.594 5.364 10.587 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.124 7.062 10.337 1.00 0.00 H new ATOM 100 N CYS A 10 1.810 3.050 9.851 1.00 0.00 N ATOM 101 CA CYS A 10 1.219 1.726 10.009 1.00 0.00 C ATOM 102 C CYS A 10 1.455 1.189 11.417 1.00 0.00 C ATOM 103 O CYS A 10 2.574 1.194 11.930 1.00 0.00 O ATOM 104 CB CYS A 10 1.800 0.759 8.977 1.00 0.00 C ATOM 105 SG CYS A 10 0.864 -0.778 8.796 1.00 0.00 S ATOM 0 H CYS A 10 2.736 3.050 9.422 1.00 0.00 H new ATOM 0 HA CYS A 10 0.144 1.814 9.849 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.845 1.260 8.010 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.825 0.517 9.258 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.389 -0.501 8.591 1.00 0.00 H new ATOM 111 N PRO A 11 0.376 0.716 12.059 1.00 0.00 N ATOM 112 CA PRO A 11 0.441 0.168 13.417 1.00 0.00 C ATOM 113 C PRO A 11 1.178 -1.165 13.470 1.00 0.00 C ATOM 114 O PRO A 11 1.463 -1.685 14.549 1.00 0.00 O ATOM 115 CB PRO A 11 -1.031 -0.019 13.793 1.00 0.00 C ATOM 116 CG PRO A 11 -1.738 -0.175 12.492 1.00 0.00 C ATOM 117 CD PRO A 11 -0.989 0.680 11.508 1.00 0.00 C ATOM 0 HA PRO A 11 0.989 0.822 14.095 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.169 -0.895 14.426 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.410 0.839 14.349 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.747 -1.218 12.175 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.778 0.142 12.572 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.007 0.250 10.506 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.419 1.679 11.434 1.00 0.00 H new ATOM 125 N ILE A 12 1.485 -1.713 12.299 1.00 0.00 N ATOM 126 CA ILE A 12 2.191 -2.985 12.213 1.00 0.00 C ATOM 127 C ILE A 12 3.676 -2.773 11.939 1.00 0.00 C ATOM 128 O ILE A 12 4.520 -3.022 12.800 1.00 0.00 O ATOM 129 CB ILE A 12 1.601 -3.883 11.109 1.00 0.00 C ATOM 130 CG1 ILE A 12 0.096 -4.066 11.321 1.00 0.00 C ATOM 131 CG2 ILE A 12 2.306 -5.231 11.090 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.601 -4.735 10.157 1.00 0.00 C ATOM 0 H ILE A 12 1.256 -1.296 11.397 1.00 0.00 H new ATOM 0 HA ILE A 12 2.068 -3.479 13.177 1.00 0.00 H new ATOM 0 HB ILE A 12 1.757 -3.399 10.145 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.067 -4.659 12.221 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.359 -3.091 11.495 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.878 -5.854 10.305 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.369 -5.083 10.897 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.177 -5.723 12.054 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.664 -4.832 10.377 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.470 -4.132 9.259 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.172 -5.724 9.996 1.00 0.00 H new ATOM 144 N THR A 13 3.990 -2.308 10.733 1.00 0.00 N ATOM 145 CA THR A 13 5.372 -2.060 10.346 1.00 0.00 C ATOM 146 C THR A 13 5.960 -0.889 11.123 1.00 0.00 C ATOM 147 O THR A 13 7.179 -0.735 11.208 1.00 0.00 O ATOM 148 CB THR A 13 5.490 -1.771 8.837 1.00 0.00 C ATOM 149 OG1 THR A 13 4.456 -0.867 8.430 1.00 0.00 O ATOM 150 CG2 THR A 13 5.392 -3.057 8.030 1.00 0.00 C ATOM 0 H THR A 13 3.305 -2.096 10.008 1.00 0.00 H new ATOM 0 HA THR A 13 5.932 -2.965 10.580 1.00 0.00 H new ATOM 0 HB THR A 13 6.464 -1.318 8.651 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.773 -0.325 7.677 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.478 -2.828 6.968 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.197 -3.732 8.322 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.431 -3.534 8.221 1.00 0.00 H new ATOM 158 N LYS A 14 5.087 -0.064 11.692 1.00 0.00 N ATOM 159 CA LYS A 14 5.519 1.094 12.465 1.00 0.00 C ATOM 160 C LYS A 14 6.271 2.087 11.585 1.00 0.00 C ATOM 161 O LYS A 14 7.224 2.725 12.029 1.00 0.00 O ATOM 162 CB LYS A 14 6.409 0.652 13.629 1.00 0.00 C ATOM 163 CG LYS A 14 5.823 -0.487 14.445 1.00 0.00 C ATOM 164 CD LYS A 14 4.444 -0.138 14.979 1.00 0.00 C ATOM 165 CE LYS A 14 4.495 1.060 15.915 1.00 0.00 C ATOM 166 NZ LYS A 14 3.202 1.265 16.625 1.00 0.00 N ATOM 0 H LYS A 14 4.075 -0.176 11.632 1.00 0.00 H new ATOM 0 HA LYS A 14 4.631 1.587 12.861 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.379 0.346 13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.585 1.505 14.285 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.759 -1.383 13.827 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.488 -0.720 15.277 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.774 0.078 14.147 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.029 -0.996 15.507 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.291 0.917 16.645 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.742 1.956 15.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.278 2.091 17.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.446 1.427 15.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.978 0.420 17.189 1.00 0.00 H new ATOM 180 N GLU A 15 5.835 2.211 10.335 1.00 0.00 N ATOM 181 CA GLU A 15 6.468 3.128 9.394 1.00 0.00 C ATOM 182 C GLU A 15 5.428 3.784 8.491 1.00 0.00 C ATOM 183 O GLU A 15 4.237 3.489 8.582 1.00 0.00 O ATOM 184 CB GLU A 15 7.502 2.386 8.544 1.00 0.00 C ATOM 185 CG GLU A 15 8.421 1.485 9.351 1.00 0.00 C ATOM 186 CD GLU A 15 9.786 1.322 8.713 1.00 0.00 C ATOM 187 OE1 GLU A 15 9.843 0.945 7.523 1.00 0.00 O ATOM 188 OE2 GLU A 15 10.798 1.569 9.402 1.00 0.00 O ATOM 0 H GLU A 15 5.047 1.689 9.951 1.00 0.00 H new ATOM 0 HA GLU A 15 6.970 3.908 9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.982 1.785 7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.105 3.115 8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.539 1.897 10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.957 0.505 9.462 1.00 0.00 H new ATOM 195 N GLU A 16 5.888 4.677 7.620 1.00 0.00 N ATOM 196 CA GLU A 16 4.997 5.377 6.702 1.00 0.00 C ATOM 197 C GLU A 16 4.258 4.390 5.803 1.00 0.00 C ATOM 198 O GLU A 16 4.776 3.322 5.478 1.00 0.00 O ATOM 199 CB GLU A 16 5.787 6.370 5.847 1.00 0.00 C ATOM 200 CG GLU A 16 4.971 7.570 5.397 1.00 0.00 C ATOM 201 CD GLU A 16 5.760 8.864 5.448 1.00 0.00 C ATOM 202 OE1 GLU A 16 6.113 9.299 6.564 1.00 0.00 O ATOM 203 OE2 GLU A 16 6.024 9.441 4.372 1.00 0.00 O ATOM 0 H GLU A 16 6.871 4.932 7.531 1.00 0.00 H new ATOM 0 HA GLU A 16 4.263 5.923 7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.649 6.720 6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.173 5.853 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.618 7.404 4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.088 7.662 6.029 1.00 0.00 H new ATOM 210 N MET A 17 3.044 4.756 5.405 1.00 0.00 N ATOM 211 CA MET A 17 2.233 3.903 4.543 1.00 0.00 C ATOM 212 C MET A 17 2.174 4.464 3.125 1.00 0.00 C ATOM 213 O MET A 17 1.593 5.523 2.889 1.00 0.00 O ATOM 214 CB MET A 17 0.819 3.766 5.109 1.00 0.00 C ATOM 215 CG MET A 17 0.788 3.433 6.592 1.00 0.00 C ATOM 216 SD MET A 17 -0.674 2.488 7.061 1.00 0.00 S ATOM 217 CE MET A 17 -1.963 3.703 6.793 1.00 0.00 C ATOM 0 H MET A 17 2.600 5.637 5.665 1.00 0.00 H new ATOM 0 HA MET A 17 2.698 2.918 4.507 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.278 4.698 4.943 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.290 2.988 4.559 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.682 2.865 6.852 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.819 4.357 7.169 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.931 3.267 7.040 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.783 4.571 7.428 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.961 4.012 5.748 1.00 0.00 H new ATOM 227 N LYS A 18 2.778 3.746 2.184 1.00 0.00 N ATOM 228 CA LYS A 18 2.793 4.170 0.789 1.00 0.00 C ATOM 229 C LYS A 18 1.567 3.645 0.048 1.00 0.00 C ATOM 230 O LYS A 18 1.060 4.292 -0.869 1.00 0.00 O ATOM 231 CB LYS A 18 4.068 3.679 0.099 1.00 0.00 C ATOM 232 CG LYS A 18 5.326 3.898 0.921 1.00 0.00 C ATOM 233 CD LYS A 18 6.575 3.829 0.058 1.00 0.00 C ATOM 234 CE LYS A 18 7.791 4.373 0.793 1.00 0.00 C ATOM 235 NZ LYS A 18 8.876 3.358 0.896 1.00 0.00 N ATOM 0 H LYS A 18 3.264 2.867 2.362 1.00 0.00 H new ATOM 0 HA LYS A 18 2.771 5.260 0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.967 2.616 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.175 4.192 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.276 4.869 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.384 3.145 1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.759 2.796 -0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.417 4.398 -0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.166 5.254 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.498 4.694 1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.687 3.767 1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.526 2.527 1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.174 3.070 -0.058 1.00 0.00 H new ATOM 249 N LYS A 19 1.095 2.471 0.451 1.00 0.00 N ATOM 250 CA LYS A 19 -0.073 1.860 -0.173 1.00 0.00 C ATOM 251 C LYS A 19 -1.155 1.574 0.863 1.00 0.00 C ATOM 252 O LYS A 19 -1.284 0.460 1.370 1.00 0.00 O ATOM 253 CB LYS A 19 0.323 0.564 -0.884 1.00 0.00 C ATOM 254 CG LYS A 19 0.795 0.774 -2.312 1.00 0.00 C ATOM 255 CD LYS A 19 1.943 -0.159 -2.662 1.00 0.00 C ATOM 256 CE LYS A 19 3.262 0.592 -2.755 1.00 0.00 C ATOM 257 NZ LYS A 19 3.271 1.560 -3.886 1.00 0.00 N ATOM 0 H LYS A 19 1.504 1.923 1.208 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.472 2.562 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.115 0.075 -0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.531 -0.114 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.034 0.606 -2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.113 1.808 -2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.021 -0.941 -1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.736 -0.652 -3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.444 1.123 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.077 -0.120 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.252 1.745 -4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.742 1.162 -4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.825 2.450 -3.585 1.00 0.00 H new ATOM 271 N PRO A 20 -1.954 2.603 1.184 1.00 0.00 N ATOM 272 CA PRO A 20 -3.041 2.485 2.161 1.00 0.00 C ATOM 273 C PRO A 20 -4.191 1.625 1.648 1.00 0.00 C ATOM 274 O PRO A 20 -4.712 1.854 0.556 1.00 0.00 O ATOM 275 CB PRO A 20 -3.501 3.932 2.355 1.00 0.00 C ATOM 276 CG PRO A 20 -3.122 4.623 1.091 1.00 0.00 C ATOM 277 CD PRO A 20 -1.858 3.959 0.619 1.00 0.00 C ATOM 0 HA PRO A 20 -2.712 2.000 3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.576 3.986 2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.016 4.389 3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.912 4.533 0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.963 5.688 1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.797 3.938 -0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.971 4.482 0.977 1.00 0.00 H new ATOM 285 N VAL A 21 -4.584 0.635 2.442 1.00 0.00 N ATOM 286 CA VAL A 21 -5.674 -0.259 2.069 1.00 0.00 C ATOM 287 C VAL A 21 -6.805 -0.202 3.089 1.00 0.00 C ATOM 288 O VAL A 21 -6.598 -0.453 4.277 1.00 0.00 O ATOM 289 CB VAL A 21 -5.187 -1.714 1.938 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.268 -1.864 0.735 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.486 -2.157 3.213 1.00 0.00 C ATOM 0 H VAL A 21 -4.164 0.431 3.349 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.044 0.080 1.102 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.054 -2.357 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.934 -2.899 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.807 -1.589 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.403 -1.212 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.148 -3.188 3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.628 -1.512 3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.179 -2.090 4.052 1.00 0.00 H new ATOM 301 N LYS A 22 -8.003 0.128 2.619 1.00 0.00 N ATOM 302 CA LYS A 22 -9.170 0.216 3.489 1.00 0.00 C ATOM 303 C LYS A 22 -9.968 -1.084 3.462 1.00 0.00 C ATOM 304 O LYS A 22 -10.162 -1.681 2.404 1.00 0.00 O ATOM 305 CB LYS A 22 -10.062 1.384 3.064 1.00 0.00 C ATOM 306 CG LYS A 22 -11.180 1.685 4.047 1.00 0.00 C ATOM 307 CD LYS A 22 -12.437 2.156 3.335 1.00 0.00 C ATOM 308 CE LYS A 22 -13.121 1.014 2.600 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.076 1.511 1.571 1.00 0.00 N ATOM 0 H LYS A 22 -8.192 0.339 1.639 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.821 0.386 4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.446 2.275 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.497 1.162 2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.404 0.791 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.851 2.450 4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.127 2.589 4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.182 2.945 2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.368 0.386 2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.652 0.387 3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.596 0.708 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.748 2.171 2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.552 2.002 0.819 1.00 0.00 H new ATOM 323 N ASN A 23 -10.429 -1.514 4.632 1.00 0.00 N ATOM 324 CA ASN A 23 -11.208 -2.742 4.741 1.00 0.00 C ATOM 325 C ASN A 23 -12.685 -2.477 4.465 1.00 0.00 C ATOM 326 O ASN A 23 -13.187 -1.381 4.714 1.00 0.00 O ATOM 327 CB ASN A 23 -11.039 -3.355 6.133 1.00 0.00 C ATOM 328 CG ASN A 23 -11.206 -4.862 6.125 1.00 0.00 C ATOM 329 OD1 ASN A 23 -11.983 -5.408 5.341 1.00 0.00 O ATOM 330 ND2 ASN A 23 -10.476 -5.543 7.001 1.00 0.00 N ATOM 0 H ASN A 23 -10.277 -1.031 5.517 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.839 -3.445 3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.052 -3.104 6.520 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.769 -2.915 6.812 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.547 -6.560 7.043 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.845 -5.049 7.632 1.00 0.00 H new ATOM 337 N LYS A 24 -13.376 -3.488 3.951 1.00 0.00 N ATOM 338 CA LYS A 24 -14.796 -3.367 3.643 1.00 0.00 C ATOM 339 C LYS A 24 -15.648 -3.721 4.857 1.00 0.00 C ATOM 340 O LYS A 24 -16.787 -3.271 4.981 1.00 0.00 O ATOM 341 CB LYS A 24 -15.163 -4.274 2.466 1.00 0.00 C ATOM 342 CG LYS A 24 -14.178 -4.202 1.312 1.00 0.00 C ATOM 343 CD LYS A 24 -14.892 -4.166 -0.029 1.00 0.00 C ATOM 344 CE LYS A 24 -15.192 -5.567 -0.539 1.00 0.00 C ATOM 345 NZ LYS A 24 -16.448 -5.609 -1.338 1.00 0.00 N ATOM 0 H LYS A 24 -12.975 -4.402 3.739 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.996 -2.331 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.224 -5.304 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.154 -4.002 2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.556 -3.313 1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.511 -5.064 1.347 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.822 -3.606 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.276 -3.637 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.360 -5.917 -1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.276 -6.251 0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.618 -6.581 -1.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.246 -5.300 -0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.359 -4.976 -2.158 1.00 0.00 H new ATOM 359 N VAL A 25 -15.089 -4.529 5.752 1.00 0.00 N ATOM 360 CA VAL A 25 -15.797 -4.941 6.958 1.00 0.00 C ATOM 361 C VAL A 25 -15.776 -3.840 8.011 1.00 0.00 C ATOM 362 O VAL A 25 -16.813 -3.272 8.353 1.00 0.00 O ATOM 363 CB VAL A 25 -15.187 -6.222 7.557 1.00 0.00 C ATOM 364 CG1 VAL A 25 -16.055 -6.748 8.690 1.00 0.00 C ATOM 365 CG2 VAL A 25 -15.005 -7.280 6.479 1.00 0.00 C ATOM 0 H VAL A 25 -14.147 -4.911 5.665 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.828 -5.141 6.667 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.206 -5.979 7.965 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.608 -7.653 9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -16.129 -5.993 9.472 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.051 -6.975 8.310 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.573 -8.178 6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.973 -7.521 6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.339 -6.900 5.705 1.00 0.00 H new ATOM 375 N CYS A 26 -14.586 -3.541 8.523 1.00 0.00 N ATOM 376 CA CYS A 26 -14.428 -2.507 9.539 1.00 0.00 C ATOM 377 C CYS A 26 -14.363 -1.123 8.900 1.00 0.00 C ATOM 378 O CYS A 26 -15.251 -0.295 9.096 1.00 0.00 O ATOM 379 CB CYS A 26 -13.163 -2.761 10.361 1.00 0.00 C ATOM 380 SG CYS A 26 -12.759 -1.427 11.534 1.00 0.00 S ATOM 0 H CYS A 26 -13.717 -4.000 8.251 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.295 -2.543 10.198 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.283 -3.693 10.914 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.322 -2.900 9.681 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.474 -1.233 11.545 1.00 0.00 H new ATOM 385 N GLY A 27 -13.304 -0.880 8.133 1.00 0.00 N ATOM 386 CA GLY A 27 -13.142 0.405 7.477 1.00 0.00 C ATOM 387 C GLY A 27 -11.771 1.008 7.713 1.00 0.00 C ATOM 388 O GLY A 27 -11.355 1.919 6.998 1.00 0.00 O ATOM 0 H GLY A 27 -12.556 -1.550 7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.303 0.285 6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.906 1.093 7.839 1.00 0.00 H new ATOM 392 N HIS A 28 -11.068 0.499 8.720 1.00 0.00 N ATOM 393 CA HIS A 28 -9.736 0.994 9.050 1.00 0.00 C ATOM 394 C HIS A 28 -8.824 0.955 7.827 1.00 0.00 C ATOM 395 O HIS A 28 -9.199 0.434 6.776 1.00 0.00 O ATOM 396 CB HIS A 28 -9.127 0.167 10.182 1.00 0.00 C ATOM 397 CG HIS A 28 -9.403 0.722 11.545 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.725 -0.068 12.628 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.401 1.998 11.998 1.00 0.00 C ATOM 400 CE1 HIS A 28 -9.912 0.698 13.689 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.721 1.955 13.333 1.00 0.00 N ATOM 0 H HIS A 28 -11.398 -0.256 9.321 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.831 2.029 9.378 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.515 -0.850 10.127 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.049 0.105 10.036 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -9.806 -1.085 12.613 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.188 2.884 11.418 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.176 0.354 14.678 1.00 0.00 H new ATOM 409 N THR A 29 -7.625 1.511 7.971 1.00 0.00 N ATOM 410 CA THR A 29 -6.661 1.541 6.878 1.00 0.00 C ATOM 411 C THR A 29 -5.291 1.060 7.341 1.00 0.00 C ATOM 412 O THR A 29 -4.848 1.383 8.444 1.00 0.00 O ATOM 413 CB THR A 29 -6.523 2.958 6.290 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.653 3.755 6.662 1.00 0.00 O ATOM 415 CG2 THR A 29 -6.411 2.906 4.774 1.00 0.00 C ATOM 0 H THR A 29 -7.299 1.946 8.834 1.00 0.00 H new ATOM 0 HA THR A 29 -7.037 0.870 6.106 1.00 0.00 H new ATOM 0 HB THR A 29 -5.614 3.407 6.691 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.557 4.655 6.286 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.315 3.918 4.381 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.534 2.323 4.494 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.304 2.439 4.359 1.00 0.00 H new ATOM 423 N TYR A 30 -4.623 0.287 6.492 1.00 0.00 N ATOM 424 CA TYR A 30 -3.302 -0.240 6.815 1.00 0.00 C ATOM 425 C TYR A 30 -2.400 -0.242 5.585 1.00 0.00 C ATOM 426 O TYR A 30 -2.827 0.121 4.489 1.00 0.00 O ATOM 427 CB TYR A 30 -3.420 -1.658 7.377 1.00 0.00 C ATOM 428 CG TYR A 30 -4.615 -1.854 8.282 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.650 -1.289 9.551 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.709 -2.603 7.868 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.739 -1.466 10.382 1.00 0.00 C ATOM 432 CE2 TYR A 30 -6.804 -2.784 8.691 1.00 0.00 C ATOM 433 CZ TYR A 30 -6.814 -2.213 9.947 1.00 0.00 C ATOM 434 OH TYR A 30 -7.902 -2.392 10.771 1.00 0.00 O ATOM 0 H TYR A 30 -4.974 0.011 5.575 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.855 0.407 7.569 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.483 -2.364 6.549 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.512 -1.897 7.931 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.811 -0.701 9.893 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.704 -3.052 6.886 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.749 -1.022 11.367 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.647 -3.369 8.353 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.749 -1.927 11.620 1.00 0.00 H new ATOM 444 N GLU A 31 -1.150 -0.653 5.776 1.00 0.00 N ATOM 445 CA GLU A 31 -0.188 -0.702 4.682 1.00 0.00 C ATOM 446 C GLU A 31 -0.307 -2.013 3.910 1.00 0.00 C ATOM 447 O GLU A 31 -0.603 -3.059 4.486 1.00 0.00 O ATOM 448 CB GLU A 31 1.236 -0.542 5.219 1.00 0.00 C ATOM 449 CG GLU A 31 2.313 -0.841 4.189 1.00 0.00 C ATOM 450 CD GLU A 31 3.563 -0.008 4.394 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.970 0.175 5.560 1.00 0.00 O ATOM 452 OE2 GLU A 31 4.136 0.459 3.387 1.00 0.00 O ATOM 0 H GLU A 31 -0.781 -0.956 6.677 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.408 0.121 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.366 0.477 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.369 -1.205 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.573 -1.898 4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.917 -0.656 3.190 1.00 0.00 H new ATOM 459 N GLU A 32 -0.076 -1.946 2.602 1.00 0.00 N ATOM 460 CA GLU A 32 -0.160 -3.127 1.751 1.00 0.00 C ATOM 461 C GLU A 32 0.735 -4.244 2.281 1.00 0.00 C ATOM 462 O GLU A 32 0.249 -5.276 2.745 1.00 0.00 O ATOM 463 CB GLU A 32 0.238 -2.777 0.316 1.00 0.00 C ATOM 464 CG GLU A 32 -0.266 -3.773 -0.715 1.00 0.00 C ATOM 465 CD GLU A 32 0.006 -3.327 -2.139 1.00 0.00 C ATOM 466 OE1 GLU A 32 -0.846 -2.615 -2.711 1.00 0.00 O ATOM 467 OE2 GLU A 32 1.071 -3.690 -2.680 1.00 0.00 O ATOM 0 H GLU A 32 0.170 -1.087 2.110 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.192 -3.477 1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.148 -1.787 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.325 -2.720 0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.209 -4.739 -0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.338 -3.917 -0.582 1.00 0.00 H new ATOM 474 N ASP A 33 2.044 -4.030 2.208 1.00 0.00 N ATOM 475 CA ASP A 33 3.007 -5.018 2.680 1.00 0.00 C ATOM 476 C ASP A 33 2.668 -5.475 4.095 1.00 0.00 C ATOM 477 O ASP A 33 2.947 -6.611 4.475 1.00 0.00 O ATOM 478 CB ASP A 33 4.422 -4.439 2.643 1.00 0.00 C ATOM 479 CG ASP A 33 4.811 -3.946 1.263 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.244 -2.927 0.816 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.682 -4.579 0.631 1.00 0.00 O ATOM 0 H ASP A 33 2.462 -3.182 1.827 1.00 0.00 H new ATOM 0 HA ASP A 33 2.958 -5.882 2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.493 -3.615 3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.131 -5.201 2.967 1.00 0.00 H new ATOM 486 N ALA A 34 2.065 -4.580 4.872 1.00 0.00 N ATOM 487 CA ALA A 34 1.687 -4.892 6.245 1.00 0.00 C ATOM 488 C ALA A 34 0.551 -5.908 6.284 1.00 0.00 C ATOM 489 O ALA A 34 0.711 -7.012 6.806 1.00 0.00 O ATOM 490 CB ALA A 34 1.288 -3.622 6.983 1.00 0.00 C ATOM 0 H ALA A 34 1.828 -3.634 4.574 1.00 0.00 H new ATOM 0 HA ALA A 34 2.551 -5.333 6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.008 -3.869 8.007 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.129 -2.928 6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.441 -3.158 6.477 1.00 0.00 H new ATOM 496 N ILE A 35 -0.596 -5.529 5.729 1.00 0.00 N ATOM 497 CA ILE A 35 -1.758 -6.408 5.701 1.00 0.00 C ATOM 498 C ILE A 35 -1.477 -7.664 4.883 1.00 0.00 C ATOM 499 O ILE A 35 -2.153 -8.682 5.035 1.00 0.00 O ATOM 500 CB ILE A 35 -2.991 -5.694 5.117 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.247 -6.542 5.328 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.783 -5.403 3.638 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.571 -6.788 6.785 1.00 0.00 C ATOM 0 H ILE A 35 -0.745 -4.619 5.293 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.966 -6.688 6.734 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.125 -4.746 5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.094 -6.046 4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.117 -7.501 4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.663 -4.898 3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.910 -4.763 3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.627 -6.339 3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.473 -7.395 6.860 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.741 -7.311 7.259 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.733 -5.835 7.288 1.00 0.00 H new ATOM 515 N VAL A 36 -0.473 -7.587 4.015 1.00 0.00 N ATOM 516 CA VAL A 36 -0.100 -8.718 3.174 1.00 0.00 C ATOM 517 C VAL A 36 0.848 -9.659 3.908 1.00 0.00 C ATOM 518 O VAL A 36 0.745 -10.880 3.786 1.00 0.00 O ATOM 519 CB VAL A 36 0.569 -8.250 1.868 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.134 -9.436 1.102 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.421 -7.474 1.011 1.00 0.00 C ATOM 0 H VAL A 36 0.097 -6.753 3.876 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.020 -9.249 2.932 1.00 0.00 H new ATOM 0 HB VAL A 36 1.395 -7.585 2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.603 -9.085 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.876 -9.945 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.328 -10.128 0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.068 -7.151 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.269 -8.113 0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.773 -6.601 1.561 1.00 0.00 H new ATOM 531 N ARG A 37 1.771 -9.084 4.672 1.00 0.00 N ATOM 532 CA ARG A 37 2.738 -9.871 5.426 1.00 0.00 C ATOM 533 C ARG A 37 2.121 -10.400 6.717 1.00 0.00 C ATOM 534 O ARG A 37 2.558 -11.417 7.255 1.00 0.00 O ATOM 535 CB ARG A 37 3.974 -9.029 5.747 1.00 0.00 C ATOM 536 CG ARG A 37 3.766 -8.054 6.894 1.00 0.00 C ATOM 537 CD ARG A 37 5.024 -7.247 7.175 1.00 0.00 C ATOM 538 NE ARG A 37 6.146 -8.099 7.561 1.00 0.00 N ATOM 539 CZ ARG A 37 6.292 -8.615 8.777 1.00 0.00 C ATOM 540 NH1 ARG A 37 5.392 -8.367 9.718 1.00 0.00 N ATOM 541 NH2 ARG A 37 7.340 -9.380 9.051 1.00 0.00 N ATOM 0 H ARG A 37 1.869 -8.075 4.785 1.00 0.00 H new ATOM 0 HA ARG A 37 3.035 -10.720 4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.802 -9.694 5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.265 -8.472 4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.945 -7.378 6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.476 -8.602 7.791 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.293 -6.674 6.288 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.824 -6.529 7.970 1.00 0.00 H new ATOM 0 HE ARG A 37 6.856 -8.309 6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.585 -7.779 9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.506 -8.764 10.650 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.034 -9.572 8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.452 -9.776 9.984 1.00 0.00 H new ATOM 555 N MET A 38 1.102 -9.702 7.209 1.00 0.00 N ATOM 556 CA MET A 38 0.424 -10.102 8.437 1.00 0.00 C ATOM 557 C MET A 38 -0.456 -11.324 8.198 1.00 0.00 C ATOM 558 O MET A 38 -0.282 -12.361 8.839 1.00 0.00 O ATOM 559 CB MET A 38 -0.422 -8.947 8.977 1.00 0.00 C ATOM 560 CG MET A 38 -1.296 -9.335 10.158 1.00 0.00 C ATOM 561 SD MET A 38 -3.055 -9.288 9.765 1.00 0.00 S ATOM 562 CE MET A 38 -3.490 -7.654 10.357 1.00 0.00 C ATOM 0 H MET A 38 0.728 -8.857 6.776 1.00 0.00 H new ATOM 0 HA MET A 38 1.184 -10.362 9.174 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.238 -8.133 9.276 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.056 -8.566 8.176 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.028 -10.338 10.489 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.095 -8.661 10.991 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.551 -7.475 10.184 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.280 -7.586 11.424 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.904 -6.906 9.823 1.00 0.00 H new ATOM 572 N ILE A 39 -1.401 -11.196 7.273 1.00 0.00 N ATOM 573 CA ILE A 39 -2.308 -12.290 6.950 1.00 0.00 C ATOM 574 C ILE A 39 -1.536 -13.563 6.617 1.00 0.00 C ATOM 575 O ILE A 39 -1.923 -14.658 7.021 1.00 0.00 O ATOM 576 CB ILE A 39 -3.223 -11.933 5.764 1.00 0.00 C ATOM 577 CG1 ILE A 39 -4.038 -10.677 6.081 1.00 0.00 C ATOM 578 CG2 ILE A 39 -4.142 -13.099 5.434 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.698 -10.062 4.867 1.00 0.00 C ATOM 0 H ILE A 39 -1.558 -10.345 6.734 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.923 -12.461 7.833 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.601 -11.729 4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.805 -10.927 6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.385 -9.937 6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.782 -12.831 4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.543 -13.971 5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.760 -13.332 6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.258 -9.176 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.935 -9.780 4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.377 -10.786 4.416 1.00 0.00 H new ATOM 591 N GLU A 40 -0.442 -13.408 5.877 1.00 0.00 N ATOM 592 CA GLU A 40 0.385 -14.546 5.491 1.00 0.00 C ATOM 593 C GLU A 40 1.079 -15.152 6.707 1.00 0.00 C ATOM 594 O GLU A 40 1.122 -16.372 6.866 1.00 0.00 O ATOM 595 CB GLU A 40 1.427 -14.118 4.455 1.00 0.00 C ATOM 596 CG GLU A 40 0.906 -14.126 3.028 1.00 0.00 C ATOM 597 CD GLU A 40 1.728 -15.011 2.111 1.00 0.00 C ATOM 598 OE1 GLU A 40 2.798 -14.560 1.653 1.00 0.00 O ATOM 599 OE2 GLU A 40 1.300 -16.156 1.853 1.00 0.00 O ATOM 0 H GLU A 40 -0.108 -12.507 5.533 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.265 -15.303 5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.779 -13.115 4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.288 -14.783 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.129 -14.468 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.906 -13.108 2.640 1.00 0.00 H new ATOM 606 N SER A 41 1.622 -14.291 7.562 1.00 0.00 N ATOM 607 CA SER A 41 2.318 -14.741 8.761 1.00 0.00 C ATOM 608 C SER A 41 1.356 -15.437 9.719 1.00 0.00 C ATOM 609 O SER A 41 1.695 -16.452 10.328 1.00 0.00 O ATOM 610 CB SER A 41 2.986 -13.556 9.463 1.00 0.00 C ATOM 611 OG SER A 41 4.193 -13.195 8.816 1.00 0.00 O ATOM 0 H SER A 41 1.593 -13.278 7.446 1.00 0.00 H new ATOM 0 HA SER A 41 3.084 -15.456 8.460 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.306 -12.704 9.472 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.190 -13.813 10.503 1.00 0.00 H new ATOM 0 HG SER A 41 4.005 -12.533 8.118 1.00 0.00 H new ATOM 617 N ARG A 42 0.154 -14.885 9.845 1.00 0.00 N ATOM 618 CA ARG A 42 -0.858 -15.452 10.729 1.00 0.00 C ATOM 619 C ARG A 42 -1.269 -16.845 10.262 1.00 0.00 C ATOM 620 O ARG A 42 -1.250 -17.800 11.038 1.00 0.00 O ATOM 621 CB ARG A 42 -2.084 -14.539 10.787 1.00 0.00 C ATOM 622 CG ARG A 42 -1.777 -13.137 11.286 1.00 0.00 C ATOM 623 CD ARG A 42 -1.938 -13.036 12.795 1.00 0.00 C ATOM 624 NE ARG A 42 -0.791 -12.388 13.425 1.00 0.00 N ATOM 625 CZ ARG A 42 -0.608 -12.334 14.740 1.00 0.00 C ATOM 626 NH1 ARG A 42 -1.492 -12.887 15.559 1.00 0.00 N ATOM 627 NH2 ARG A 42 0.461 -11.726 15.238 1.00 0.00 N ATOM 0 H ARG A 42 -0.143 -14.046 9.347 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.428 -15.535 11.727 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.524 -14.473 9.792 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.833 -14.991 11.438 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.758 -12.866 11.009 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.441 -12.423 10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.844 -12.475 13.026 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.066 -14.034 13.214 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.092 -11.953 12.823 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.315 -13.355 15.180 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.349 -12.844 16.568 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.143 -11.299 14.611 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.600 -11.685 16.248 1.00 0.00 H new ATOM 641 N GLN A 43 -1.639 -16.952 8.990 1.00 0.00 N ATOM 642 CA GLN A 43 -2.056 -18.229 8.421 1.00 0.00 C ATOM 643 C GLN A 43 -1.016 -19.311 8.693 1.00 0.00 C ATOM 644 O GLN A 43 -1.359 -20.453 9.000 1.00 0.00 O ATOM 645 CB GLN A 43 -2.283 -18.090 6.915 1.00 0.00 C ATOM 646 CG GLN A 43 -3.725 -18.317 6.494 1.00 0.00 C ATOM 647 CD GLN A 43 -3.839 -18.958 5.124 1.00 0.00 C ATOM 648 OE1 GLN A 43 -3.325 -20.053 4.894 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.516 -18.277 4.206 1.00 0.00 N ATOM 0 H GLN A 43 -1.659 -16.171 8.334 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.992 -18.522 8.897 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.974 -17.093 6.600 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.644 -18.802 6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.219 -18.951 7.230 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.253 -17.363 6.490 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.925 -17.373 4.441 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.626 -18.658 3.266 1.00 0.00 H new ATOM 658 N LYS A 44 0.256 -18.945 8.579 1.00 0.00 N ATOM 659 CA LYS A 44 1.347 -19.883 8.813 1.00 0.00 C ATOM 660 C LYS A 44 1.242 -20.503 10.202 1.00 0.00 C ATOM 661 O LYS A 44 1.651 -21.645 10.415 1.00 0.00 O ATOM 662 CB LYS A 44 2.696 -19.178 8.658 1.00 0.00 C ATOM 663 CG LYS A 44 2.986 -18.725 7.237 1.00 0.00 C ATOM 664 CD LYS A 44 4.109 -19.535 6.612 1.00 0.00 C ATOM 665 CE LYS A 44 4.031 -19.517 5.093 1.00 0.00 C ATOM 666 NZ LYS A 44 5.379 -19.610 4.467 1.00 0.00 N ATOM 0 H LYS A 44 0.557 -18.004 8.326 1.00 0.00 H new ATOM 0 HA LYS A 44 1.274 -20.679 8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.722 -18.312 9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.488 -19.852 8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.085 -18.823 6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.255 -17.669 7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.070 -19.134 6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.058 -20.564 6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.414 -20.348 4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.541 -18.600 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.283 -19.595 3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.960 -18.804 4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.837 -20.497 4.759 1.00 0.00 H new ATOM 680 N ARG A 45 0.692 -19.744 11.144 1.00 0.00 N ATOM 681 CA ARG A 45 0.534 -20.220 12.513 1.00 0.00 C ATOM 682 C ARG A 45 -0.928 -20.542 12.811 1.00 0.00 C ATOM 683 O ARG A 45 -1.363 -20.493 13.962 1.00 0.00 O ATOM 684 CB ARG A 45 1.049 -19.173 13.502 1.00 0.00 C ATOM 685 CG ARG A 45 2.564 -19.129 13.609 1.00 0.00 C ATOM 686 CD ARG A 45 3.036 -19.508 15.004 1.00 0.00 C ATOM 687 NE ARG A 45 4.471 -19.778 15.042 1.00 0.00 N ATOM 688 CZ ARG A 45 5.013 -20.932 14.669 1.00 0.00 C ATOM 689 NH1 ARG A 45 4.242 -21.918 14.231 1.00 0.00 N ATOM 690 NH2 ARG A 45 6.327 -21.101 14.732 1.00 0.00 N ATOM 0 H ARG A 45 0.348 -18.797 10.984 1.00 0.00 H new ATOM 0 HA ARG A 45 1.119 -21.133 12.624 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.686 -18.191 13.200 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.630 -19.379 14.487 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.001 -19.810 12.879 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.918 -18.128 13.364 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.801 -18.701 15.698 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.492 -20.389 15.344 1.00 0.00 H new ATOM 0 HE ARG A 45 5.091 -19.039 15.373 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.231 -21.791 14.180 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.660 -22.803 13.945 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.923 -20.344 15.067 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.741 -21.988 14.445 1.00 0.00 H new ATOM 704 N LYS A 46 -1.680 -20.871 11.767 1.00 0.00 N ATOM 705 CA LYS A 46 -3.093 -21.202 11.915 1.00 0.00 C ATOM 706 C LYS A 46 -3.843 -20.078 12.623 1.00 0.00 C ATOM 707 O LYS A 46 -4.832 -20.318 13.317 1.00 0.00 O ATOM 708 CB LYS A 46 -3.252 -22.508 12.698 1.00 0.00 C ATOM 709 CG LYS A 46 -4.142 -23.526 12.006 1.00 0.00 C ATOM 710 CD LYS A 46 -3.944 -24.919 12.579 1.00 0.00 C ATOM 711 CE LYS A 46 -4.064 -25.987 11.502 1.00 0.00 C ATOM 712 NZ LYS A 46 -3.369 -27.246 11.889 1.00 0.00 N ATOM 0 H LYS A 46 -1.335 -20.916 10.808 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.518 -21.328 10.919 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.268 -22.948 12.859 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.666 -22.285 13.681 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.186 -23.232 12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.923 -23.536 10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.963 -24.984 13.050 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.684 -25.102 13.358 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.117 -26.197 11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.642 -25.611 10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.474 -27.948 11.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.359 -27.052 12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.788 -27.619 12.765 1.00 0.00 H new ATOM 726 N LYS A 47 -3.369 -18.850 12.442 1.00 0.00 N ATOM 727 CA LYS A 47 -3.996 -17.688 13.060 1.00 0.00 C ATOM 728 C LYS A 47 -4.885 -16.954 12.061 1.00 0.00 C ATOM 729 O LYS A 47 -5.033 -17.380 10.916 1.00 0.00 O ATOM 730 CB LYS A 47 -2.929 -16.736 13.605 1.00 0.00 C ATOM 731 CG LYS A 47 -2.842 -16.723 15.121 1.00 0.00 C ATOM 732 CD LYS A 47 -1.604 -15.986 15.603 1.00 0.00 C ATOM 733 CE LYS A 47 -0.465 -16.947 15.903 1.00 0.00 C ATOM 734 NZ LYS A 47 0.564 -16.330 16.785 1.00 0.00 N ATOM 0 H LYS A 47 -2.552 -18.634 11.872 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.617 -18.037 13.885 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.959 -17.019 13.196 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.141 -15.726 13.253 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.732 -16.248 15.533 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.825 -17.747 15.494 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.287 -15.270 14.845 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.845 -15.415 16.499 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.862 -17.843 16.380 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.001 -17.262 14.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.323 -17.017 16.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.961 -15.489 16.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.127 -16.052 17.687 1.00 0.00 H new ATOM 748 N LYS A 48 -5.474 -15.848 12.503 1.00 0.00 N ATOM 749 CA LYS A 48 -6.347 -15.052 11.647 1.00 0.00 C ATOM 750 C LYS A 48 -5.933 -13.584 11.663 1.00 0.00 C ATOM 751 O LYS A 48 -5.180 -13.151 12.535 1.00 0.00 O ATOM 752 CB LYS A 48 -7.802 -15.187 12.102 1.00 0.00 C ATOM 753 CG LYS A 48 -8.119 -14.408 13.367 1.00 0.00 C ATOM 754 CD LYS A 48 -8.983 -15.218 14.319 1.00 0.00 C ATOM 755 CE LYS A 48 -8.163 -16.254 15.073 1.00 0.00 C ATOM 756 NZ LYS A 48 -9.025 -17.291 15.705 1.00 0.00 N ATOM 0 H LYS A 48 -5.363 -15.482 13.449 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.255 -15.426 10.628 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.457 -14.845 11.301 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.025 -16.241 12.269 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.191 -14.128 13.865 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.632 -13.482 13.106 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.468 -14.549 15.030 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.774 -15.716 13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.463 -16.732 14.388 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.569 -15.758 15.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.429 -17.978 16.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.676 -16.838 16.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.573 -17.782 14.970 1.00 0.00 H new ATOM 770 N ALA A 49 -6.430 -12.824 10.693 1.00 0.00 N ATOM 771 CA ALA A 49 -6.114 -11.404 10.598 1.00 0.00 C ATOM 772 C ALA A 49 -7.158 -10.559 11.321 1.00 0.00 C ATOM 773 O ALA A 49 -8.318 -10.503 10.912 1.00 0.00 O ATOM 774 CB ALA A 49 -6.011 -10.983 9.140 1.00 0.00 C ATOM 0 H ALA A 49 -7.053 -13.168 9.962 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.152 -11.239 11.082 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.775 -9.920 9.084 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.224 -11.556 8.651 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.961 -11.170 8.639 1.00 0.00 H new ATOM 780 N TYR A 50 -6.739 -9.905 12.399 1.00 0.00 N ATOM 781 CA TYR A 50 -7.639 -9.066 13.181 1.00 0.00 C ATOM 782 C TYR A 50 -7.213 -7.602 13.116 1.00 0.00 C ATOM 783 O TYR A 50 -6.052 -7.292 12.848 1.00 0.00 O ATOM 784 CB TYR A 50 -7.671 -9.534 14.637 1.00 0.00 C ATOM 785 CG TYR A 50 -6.302 -9.819 15.211 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.721 -11.075 15.085 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.589 -8.833 15.882 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.470 -11.340 15.609 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.338 -9.088 16.408 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.783 -10.343 16.269 1.00 0.00 C ATOM 791 OH TYR A 50 -2.537 -10.602 16.793 1.00 0.00 O ATOM 0 H TYR A 50 -5.782 -9.940 12.751 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.639 -9.155 12.755 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.159 -8.772 15.244 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.280 -10.435 14.707 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.257 -11.858 14.568 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.021 -7.850 15.994 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.033 -12.322 15.502 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.797 -8.309 16.925 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.189 -9.794 17.225 1.00 0.00 H new ATOM 801 N CYS A 51 -8.162 -6.705 13.363 1.00 0.00 N ATOM 802 CA CYS A 51 -7.888 -5.274 13.334 1.00 0.00 C ATOM 803 C CYS A 51 -6.674 -4.934 14.193 1.00 0.00 C ATOM 804 O CYS A 51 -6.743 -4.895 15.422 1.00 0.00 O ATOM 805 CB CYS A 51 -9.108 -4.490 13.822 1.00 0.00 C ATOM 806 SG CYS A 51 -10.099 -3.747 12.486 1.00 0.00 S ATOM 0 H CYS A 51 -9.128 -6.945 13.586 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.671 -4.992 12.304 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.745 -5.156 14.405 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.773 -3.700 14.494 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.314 -3.123 11.659 1.00 0.00 H new ATOM 811 N PRO A 52 -5.534 -4.681 13.533 1.00 0.00 N ATOM 812 CA PRO A 52 -4.283 -4.339 14.216 1.00 0.00 C ATOM 813 C PRO A 52 -4.332 -2.957 14.859 1.00 0.00 C ATOM 814 O PRO A 52 -3.494 -2.622 15.695 1.00 0.00 O ATOM 815 CB PRO A 52 -3.245 -4.369 13.091 1.00 0.00 C ATOM 816 CG PRO A 52 -4.023 -4.096 11.850 1.00 0.00 C ATOM 817 CD PRO A 52 -5.379 -4.708 12.069 1.00 0.00 C ATOM 0 HA PRO A 52 -4.065 -5.025 15.034 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.471 -3.617 13.246 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.745 -5.336 13.040 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.103 -3.024 11.667 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.534 -4.532 10.979 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.163 -4.137 11.572 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.429 -5.724 11.678 1.00 0.00 H new ATOM 825 N GLN A 53 -5.319 -2.160 14.463 1.00 0.00 N ATOM 826 CA GLN A 53 -5.477 -0.814 15.002 1.00 0.00 C ATOM 827 C GLN A 53 -5.784 -0.858 16.495 1.00 0.00 C ATOM 828 O GLN A 53 -6.902 -1.177 16.899 1.00 0.00 O ATOM 829 CB GLN A 53 -6.591 -0.073 14.261 1.00 0.00 C ATOM 830 CG GLN A 53 -6.710 1.392 14.650 1.00 0.00 C ATOM 831 CD GLN A 53 -5.362 2.074 14.774 1.00 0.00 C ATOM 832 OE1 GLN A 53 -4.782 2.135 15.858 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.855 2.591 13.661 1.00 0.00 N ATOM 0 H GLN A 53 -6.021 -2.423 13.771 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.538 -0.280 14.859 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.411 -0.142 13.188 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.541 -0.571 14.458 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.310 1.914 13.905 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.241 1.470 15.599 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.370 2.518 12.784 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.950 3.062 13.683 1.00 0.00 H new ATOM 842 N ILE A 54 -4.784 -0.536 17.309 1.00 0.00 N ATOM 843 CA ILE A 54 -4.948 -0.538 18.757 1.00 0.00 C ATOM 844 C ILE A 54 -6.168 0.277 19.173 1.00 0.00 C ATOM 845 O ILE A 54 -6.141 1.507 19.157 1.00 0.00 O ATOM 846 CB ILE A 54 -3.702 0.025 19.466 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.461 -0.785 19.084 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.902 0.019 20.974 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.183 -0.258 19.698 1.00 0.00 C ATOM 0 H ILE A 54 -3.852 -0.271 16.990 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.088 -1.576 19.057 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.553 1.056 19.143 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.603 -1.820 19.394 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.359 -0.788 17.999 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.013 0.420 21.461 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.764 0.635 21.229 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.073 -1.002 21.314 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.345 -0.880 19.384 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.017 0.768 19.368 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.265 -0.281 20.785 1.00 0.00 H new ATOM 861 N GLY A 55 -7.238 -0.418 19.548 1.00 0.00 N ATOM 862 CA GLY A 55 -8.452 0.257 19.965 1.00 0.00 C ATOM 863 C GLY A 55 -9.699 -0.379 19.383 1.00 0.00 C ATOM 864 O GLY A 55 -10.799 -0.198 19.904 1.00 0.00 O ATOM 0 H GLY A 55 -7.285 -1.437 19.570 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.516 0.244 21.053 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.405 1.303 19.661 1.00 0.00 H new ATOM 868 N CYS A 56 -9.528 -1.126 18.297 1.00 0.00 N ATOM 869 CA CYS A 56 -10.648 -1.789 17.640 1.00 0.00 C ATOM 870 C CYS A 56 -10.928 -3.145 18.282 1.00 0.00 C ATOM 871 O CYS A 56 -10.021 -3.800 18.795 1.00 0.00 O ATOM 872 CB CYS A 56 -10.358 -1.969 16.149 1.00 0.00 C ATOM 873 SG CYS A 56 -11.834 -1.863 15.087 1.00 0.00 S ATOM 0 H CYS A 56 -8.624 -1.287 17.853 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.531 -1.160 17.758 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.642 -1.210 15.835 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.883 -2.938 15.997 1.00 0.00 H new ATOM 0 HG CYS A 56 -11.602 -2.468 13.960 1.00 0.00 H new ATOM 878 N SER A 57 -12.191 -3.560 18.249 1.00 0.00 N ATOM 879 CA SER A 57 -12.592 -4.835 18.830 1.00 0.00 C ATOM 880 C SER A 57 -12.729 -5.905 17.750 1.00 0.00 C ATOM 881 O SER A 57 -12.599 -7.099 18.023 1.00 0.00 O ATOM 882 CB SER A 57 -13.915 -4.683 19.584 1.00 0.00 C ATOM 883 OG SER A 57 -13.893 -5.404 20.803 1.00 0.00 O ATOM 0 H SER A 57 -12.954 -3.031 17.826 1.00 0.00 H new ATOM 0 HA SER A 57 -11.817 -5.147 19.530 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.103 -3.628 19.785 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.735 -5.040 18.961 1.00 0.00 H new ATOM 0 HG SER A 57 -14.749 -5.289 21.266 1.00 0.00 H new ATOM 889 N HIS A 58 -12.994 -5.467 16.523 1.00 0.00 N ATOM 890 CA HIS A 58 -13.149 -6.386 15.401 1.00 0.00 C ATOM 891 C HIS A 58 -11.958 -7.336 15.308 1.00 0.00 C ATOM 892 O HIS A 58 -10.853 -7.009 15.742 1.00 0.00 O ATOM 893 CB HIS A 58 -13.297 -5.608 14.094 1.00 0.00 C ATOM 894 CG HIS A 58 -13.858 -6.424 12.970 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.092 -7.037 13.028 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.346 -6.726 11.754 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.314 -7.682 11.897 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.270 -7.509 11.106 1.00 0.00 N ATOM 0 H HIS A 58 -13.106 -4.483 16.281 1.00 0.00 H new ATOM 0 HA HIS A 58 -14.050 -6.976 15.569 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.943 -4.747 14.265 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.322 -5.221 13.799 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.733 -6.998 13.820 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.389 -6.410 11.366 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.199 -8.254 11.659 1.00 0.00 H new ATOM 906 N THR A 59 -12.191 -8.516 14.742 1.00 0.00 N ATOM 907 CA THR A 59 -11.140 -9.515 14.594 1.00 0.00 C ATOM 908 C THR A 59 -11.407 -10.423 13.400 1.00 0.00 C ATOM 909 O THR A 59 -11.148 -11.625 13.451 1.00 0.00 O ATOM 910 CB THR A 59 -11.005 -10.379 15.862 1.00 0.00 C ATOM 911 OG1 THR A 59 -12.290 -10.871 16.259 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.389 -9.580 17.000 1.00 0.00 C ATOM 0 H THR A 59 -13.100 -8.803 14.378 1.00 0.00 H new ATOM 0 HA THR A 59 -10.209 -8.972 14.432 1.00 0.00 H new ATOM 0 HB THR A 59 -10.349 -11.219 15.633 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.195 -11.421 17.065 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.304 -10.212 17.884 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.399 -9.232 16.706 1.00 0.00 H new ATOM 0 HG23 THR A 59 -11.022 -8.722 17.227 1.00 0.00 H new ATOM 920 N ASP A 60 -11.927 -9.840 12.325 1.00 0.00 N ATOM 921 CA ASP A 60 -12.228 -10.597 11.115 1.00 0.00 C ATOM 922 C ASP A 60 -11.821 -9.816 9.870 1.00 0.00 C ATOM 923 O ASP A 60 -12.543 -8.925 9.421 1.00 0.00 O ATOM 924 CB ASP A 60 -13.718 -10.935 11.057 1.00 0.00 C ATOM 925 CG ASP A 60 -13.978 -12.427 11.131 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.676 -13.029 12.183 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.481 -12.992 10.137 1.00 0.00 O ATOM 0 H ASP A 60 -12.149 -8.846 12.267 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.655 -11.524 11.143 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.232 -10.439 11.880 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.141 -10.541 10.133 1.00 0.00 H new ATOM 932 N ILE A 61 -10.661 -10.155 9.317 1.00 0.00 N ATOM 933 CA ILE A 61 -10.159 -9.485 8.124 1.00 0.00 C ATOM 934 C ILE A 61 -9.817 -10.491 7.031 1.00 0.00 C ATOM 935 O ILE A 61 -9.116 -11.474 7.276 1.00 0.00 O ATOM 936 CB ILE A 61 -8.911 -8.638 8.436 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.211 -7.644 9.560 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.439 -7.909 7.187 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.976 -6.967 10.113 1.00 0.00 C ATOM 0 H ILE A 61 -10.051 -10.890 9.676 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.955 -8.828 7.773 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.113 -9.302 8.768 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.897 -6.883 9.188 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.722 -8.166 10.369 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.556 -7.315 7.424 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.190 -8.636 6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.232 -7.253 6.827 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.264 -6.276 10.906 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.298 -7.720 10.516 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.475 -6.417 9.316 1.00 0.00 H new ATOM 951 N ARG A 62 -10.314 -10.239 5.825 1.00 0.00 N ATOM 952 CA ARG A 62 -10.060 -11.123 4.694 1.00 0.00 C ATOM 953 C ARG A 62 -9.429 -10.356 3.535 1.00 0.00 C ATOM 954 O ARG A 62 -9.789 -9.210 3.266 1.00 0.00 O ATOM 955 CB ARG A 62 -11.361 -11.784 4.233 1.00 0.00 C ATOM 956 CG ARG A 62 -11.875 -12.848 5.190 1.00 0.00 C ATOM 957 CD ARG A 62 -12.677 -13.913 4.459 1.00 0.00 C ATOM 958 NE ARG A 62 -14.109 -13.795 4.721 1.00 0.00 N ATOM 959 CZ ARG A 62 -14.685 -14.193 5.850 1.00 0.00 C ATOM 960 NH1 ARG A 62 -13.955 -14.732 6.817 1.00 0.00 N ATOM 961 NH2 ARG A 62 -15.995 -14.053 6.013 1.00 0.00 N ATOM 0 H ARG A 62 -10.895 -9.430 5.606 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.363 -11.895 5.019 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.125 -11.017 4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.203 -12.234 3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -11.034 -13.313 5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.498 -12.382 5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.497 -13.831 3.387 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.332 -14.901 4.766 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.699 -13.384 3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.948 -14.842 6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.400 -15.037 7.683 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -16.560 -13.640 5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -16.437 -14.359 6.880 1.00 0.00 H new ATOM 975 N LYS A 63 -8.486 -10.996 2.853 1.00 0.00 N ATOM 976 CA LYS A 63 -7.804 -10.376 1.723 1.00 0.00 C ATOM 977 C LYS A 63 -8.806 -9.918 0.668 1.00 0.00 C ATOM 978 O LYS A 63 -8.535 -8.995 -0.100 1.00 0.00 O ATOM 979 CB LYS A 63 -6.807 -11.357 1.102 1.00 0.00 C ATOM 980 CG LYS A 63 -5.630 -10.678 0.422 1.00 0.00 C ATOM 981 CD LYS A 63 -4.811 -11.666 -0.393 1.00 0.00 C ATOM 982 CE LYS A 63 -3.994 -12.584 0.503 1.00 0.00 C ATOM 983 NZ LYS A 63 -3.043 -13.420 -0.281 1.00 0.00 N ATOM 0 H LYS A 63 -8.176 -11.945 3.063 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.265 -9.503 2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.432 -12.022 1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.327 -11.979 0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.994 -9.882 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.995 -10.210 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.475 -12.263 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.145 -11.123 -1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.441 -11.986 1.227 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.665 -13.230 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.505 -14.032 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.573 -14.009 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.387 -12.804 -0.801 1.00 0.00 H new ATOM 997 N SER A 64 -9.965 -10.568 0.637 1.00 0.00 N ATOM 998 CA SER A 64 -11.007 -10.228 -0.325 1.00 0.00 C ATOM 999 C SER A 64 -11.707 -8.931 0.068 1.00 0.00 C ATOM 1000 O SER A 64 -12.261 -8.230 -0.780 1.00 0.00 O ATOM 1001 CB SER A 64 -12.028 -11.363 -0.425 1.00 0.00 C ATOM 1002 OG SER A 64 -12.293 -11.694 -1.777 1.00 0.00 O ATOM 0 H SER A 64 -10.206 -11.333 1.267 1.00 0.00 H new ATOM 0 HA SER A 64 -10.537 -10.086 -1.298 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.653 -12.241 0.101 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.954 -11.068 0.068 1.00 0.00 H new ATOM 0 HG SER A 64 -12.947 -12.423 -1.813 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.679 -8.619 1.359 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.310 -7.406 1.866 1.00 0.00 C ATOM 1010 C ASP A 65 -11.294 -6.275 1.988 1.00 0.00 C ATOM 1011 O ASP A 65 -11.458 -5.363 2.799 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.960 -7.673 3.224 1.00 0.00 C ATOM 1013 CG ASP A 65 -14.364 -8.232 3.095 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -15.047 -7.895 2.105 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.779 -9.005 3.983 1.00 0.00 O ATOM 0 H ASP A 65 -11.226 -9.189 2.073 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.080 -7.103 1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.344 -8.374 3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.992 -6.746 3.796 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.243 -6.341 1.178 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.199 -5.323 1.195 1.00 0.00 C ATOM 1022 C LEU A 66 -9.177 -4.542 -0.115 1.00 0.00 C ATOM 1023 O LEU A 66 -8.997 -5.118 -1.189 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.834 -5.969 1.441 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.626 -6.596 2.819 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -6.260 -7.260 2.903 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.779 -5.547 3.911 1.00 0.00 C ATOM 0 H LEU A 66 -10.091 -7.089 0.501 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.417 -4.628 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.678 -6.740 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.064 -5.213 1.288 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.389 -7.361 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.130 -7.701 3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.187 -8.040 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.482 -6.515 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.628 -6.011 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.039 -4.760 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.780 -5.118 3.865 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.358 -3.230 -0.019 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.356 -2.370 -1.196 1.00 0.00 C ATOM 1041 C ILE A 67 -8.362 -1.225 -1.039 1.00 0.00 C ATOM 1042 O ILE A 67 -7.906 -0.934 0.067 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.755 -1.787 -1.470 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.326 -1.156 -0.199 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.686 -2.869 -1.996 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.474 -0.206 -0.460 1.00 0.00 C ATOM 0 H ILE A 67 -9.508 -2.739 0.862 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.059 -2.992 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.667 -1.011 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.665 -1.948 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.531 -0.619 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.671 -2.441 -2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.283 -3.276 -2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.772 -3.666 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.829 0.204 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.135 0.606 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.286 -0.743 -0.951 1.00 0.00 H new ATOM 1058 N GLN A 68 -8.031 -0.578 -2.152 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.092 0.537 -2.137 1.00 0.00 C ATOM 1060 C GLN A 68 -7.823 1.863 -1.957 1.00 0.00 C ATOM 1061 O GLN A 68 -8.632 2.256 -2.797 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.277 0.562 -3.431 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.735 -0.800 -3.836 1.00 0.00 C ATOM 1064 CD GLN A 68 -4.697 -0.711 -4.937 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -5.010 -0.872 -6.116 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.451 -0.454 -4.556 1.00 0.00 N ATOM 0 H GLN A 68 -8.399 -0.807 -3.075 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.417 0.399 -1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.901 0.949 -4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.444 1.255 -3.312 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.295 -1.285 -2.965 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.559 -1.430 -4.169 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.236 -0.327 -3.567 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.709 -0.383 -5.252 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.534 2.548 -0.856 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.164 3.830 -0.566 1.00 0.00 C ATOM 1077 C ASP A 69 -7.429 4.968 -1.268 1.00 0.00 C ATOM 1078 O ASP A 69 -6.284 5.275 -0.940 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.191 4.079 0.943 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.179 5.161 1.334 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -10.247 5.248 0.692 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -8.884 5.921 2.280 1.00 0.00 O ATOM 0 H ASP A 69 -6.867 2.236 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.187 3.797 -0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.449 3.153 1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.194 4.363 1.279 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.096 5.588 -2.236 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.505 6.690 -2.986 1.00 0.00 C ATOM 1089 C GLU A 70 -7.542 7.982 -2.175 1.00 0.00 C ATOM 1090 O GLU A 70 -6.615 8.788 -2.230 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.242 6.886 -4.313 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.319 7.189 -5.482 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.078 7.538 -6.748 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.055 6.829 -7.068 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -7.694 8.519 -7.419 1.00 0.00 O ATOM 0 H GLU A 70 -9.046 5.346 -2.519 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.464 6.440 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.815 5.986 -4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.957 7.701 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.662 8.017 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.682 6.325 -5.671 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.622 8.170 -1.423 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.780 9.362 -0.599 1.00 0.00 C ATOM 1104 C ALA A 71 -7.582 9.554 0.325 1.00 0.00 C ATOM 1105 O ALA A 71 -7.214 10.682 0.655 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.065 9.277 0.210 1.00 0.00 C ATOM 0 H ALA A 71 -9.400 7.512 -1.368 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.837 10.226 -1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.170 10.174 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.916 9.197 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.031 8.400 0.856 1.00 0.00 H new ATOM 1112 N LEU A 72 -6.978 8.447 0.740 1.00 0.00 N ATOM 1113 CA LEU A 72 -5.821 8.493 1.627 1.00 0.00 C ATOM 1114 C LEU A 72 -4.531 8.662 0.831 1.00 0.00 C ATOM 1115 O LEU A 72 -3.645 9.424 1.220 1.00 0.00 O ATOM 1116 CB LEU A 72 -5.749 7.219 2.471 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.121 7.367 3.857 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -5.471 6.173 4.732 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -3.612 7.524 3.745 1.00 0.00 C ATOM 0 H LEU A 72 -7.270 7.506 0.477 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.935 9.353 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.760 6.830 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.183 6.471 1.916 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.526 8.265 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.015 6.296 5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.554 6.106 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.095 5.260 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.182 7.628 4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.190 6.645 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.381 8.412 3.156 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.432 7.948 -0.286 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.251 8.020 -1.137 1.00 0.00 C ATOM 1133 C ARG A 73 -2.969 9.460 -1.555 1.00 0.00 C ATOM 1134 O ARG A 73 -1.871 9.975 -1.344 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.436 7.144 -2.378 1.00 0.00 C ATOM 1136 CG ARG A 73 -2.633 5.854 -2.338 1.00 0.00 C ATOM 1137 CD ARG A 73 -3.389 4.707 -2.990 1.00 0.00 C ATOM 1138 NE ARG A 73 -2.519 3.884 -3.826 1.00 0.00 N ATOM 1139 CZ ARG A 73 -2.033 4.283 -4.996 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -2.329 5.487 -5.466 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -1.248 3.477 -5.700 1.00 0.00 N ATOM 0 H ARG A 73 -5.156 7.313 -0.622 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.399 7.652 -0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.493 6.901 -2.486 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.148 7.714 -3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.681 6.001 -2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.404 5.599 -1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.843 4.086 -2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.202 5.107 -3.596 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.271 2.952 -3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.932 6.110 -4.929 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.954 5.790 -6.365 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.017 2.550 -5.343 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.875 3.785 -6.598 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.968 10.104 -2.150 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.827 11.484 -2.600 1.00 0.00 C ATOM 1157 C ARG A 74 -3.422 12.394 -1.444 1.00 0.00 C ATOM 1158 O ARG A 74 -2.639 13.327 -1.620 1.00 0.00 O ATOM 1159 CB ARG A 74 -5.137 11.978 -3.217 1.00 0.00 C ATOM 1160 CG ARG A 74 -5.443 11.361 -4.571 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.846 11.714 -5.040 1.00 0.00 C ATOM 1162 NE ARG A 74 -7.015 11.497 -6.475 1.00 0.00 N ATOM 1163 CZ ARG A 74 -6.436 12.249 -7.404 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -5.655 13.260 -7.052 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -6.638 11.988 -8.690 1.00 0.00 N ATOM 0 H ARG A 74 -4.883 9.692 -2.332 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.043 11.515 -3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.957 11.758 -2.533 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.093 13.062 -3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.715 11.709 -5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.340 10.278 -4.510 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.573 11.112 -4.494 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.055 12.757 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.610 10.726 -6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.497 13.463 -6.065 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.212 13.835 -7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.238 11.210 -8.964 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.193 12.566 -9.404 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.961 12.115 -0.261 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.655 12.907 0.923 1.00 0.00 C ATOM 1181 C ALA A 75 -2.163 12.869 1.238 1.00 0.00 C ATOM 1182 O ALA A 75 -1.513 13.910 1.335 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.460 12.409 2.114 1.00 0.00 C ATOM 0 H ALA A 75 -4.611 11.346 -0.098 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.931 13.942 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.221 13.010 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.524 12.494 1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.212 11.366 2.310 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.627 11.663 1.398 1.00 0.00 N ATOM 1190 CA ILE A 76 -0.212 11.491 1.702 1.00 0.00 C ATOM 1191 C ILE A 76 0.662 12.174 0.656 1.00 0.00 C ATOM 1192 O ILE A 76 1.773 12.612 0.952 1.00 0.00 O ATOM 1193 CB ILE A 76 0.169 10.001 1.779 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.671 9.291 2.843 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.653 9.849 2.080 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.496 7.789 2.848 1.00 0.00 C ATOM 0 H ILE A 76 -2.151 10.791 1.322 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.039 11.953 2.674 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.036 9.539 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.406 9.683 3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.723 9.526 2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.907 8.790 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.235 10.324 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.881 10.324 3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.121 7.352 3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.789 7.385 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.549 7.545 3.042 1.00 0.00 H new