USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 639 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 HIS : no HD1:sc= -0.651 K(o=-0.8,f=0.54) USER MOD Set 1.2: A 48 CYS SG : rot 2:sc= -0.153 USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 0.0156 USER MOD Set 2.2: A 79 LYS NZ :NH3+ 137:sc= -0.0664 (180deg=-0.398) USER MOD Single : A 6 GLN : amide:sc= -2 K(o=-2,f=-7.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.32 K(o=-0.32,f=-2) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.993 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 44 CYS SG : rot -130:sc= -0.557 USER MOD Single : A 47 ASN : amide:sc= -5.57! K(o=-5.6!,f=-0.42) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -164:sc= -0.0741 (180deg=-0.488) USER MOD Single : A 56 SER OG : rot -13:sc= 0.953 USER MOD Single : A 58 SER OG : rot 180:sc= -0.31 USER MOD Single : A 59 LYS NZ :NH3+ -174:sc= -1.57 (180deg=-1.71) USER MOD Single : A 62 CYS SG : rot 22:sc= -0.131 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= -0.0389 (180deg=-0.241) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 86 SER OG : rot -112:sc= 1.31 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -16.633 6.871 -0.901 1.00 0.00 N ATOM 63 CA GLN A 6 -15.426 7.547 -1.344 1.00 0.00 C ATOM 64 C GLN A 6 -14.257 6.564 -1.449 1.00 0.00 C ATOM 65 O GLN A 6 -14.057 5.734 -0.561 1.00 0.00 O ATOM 66 CB GLN A 6 -15.089 8.662 -0.358 1.00 0.00 C ATOM 67 CG GLN A 6 -13.937 9.539 -0.793 1.00 0.00 C ATOM 68 CD GLN A 6 -14.328 10.537 -1.867 1.00 0.00 C ATOM 69 OE1 GLN A 6 -14.823 10.165 -2.930 1.00 0.00 O ATOM 70 NE2 GLN A 6 -14.105 11.817 -1.592 1.00 0.00 N ATOM 0 HA GLN A 6 -15.598 7.970 -2.334 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.972 9.285 -0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.850 8.219 0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.550 10.077 0.072 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.128 8.910 -1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -13.692 12.082 -0.698 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.346 12.535 -2.275 1.00 0.00 H new ATOM 79 N PRO A 7 -13.469 6.643 -2.540 1.00 0.00 N ATOM 80 CA PRO A 7 -12.321 5.753 -2.753 1.00 0.00 C ATOM 81 C PRO A 7 -11.354 5.756 -1.571 1.00 0.00 C ATOM 82 O PRO A 7 -11.174 6.779 -0.911 1.00 0.00 O ATOM 83 CB PRO A 7 -11.643 6.329 -3.998 1.00 0.00 C ATOM 84 CG PRO A 7 -12.720 7.067 -4.715 1.00 0.00 C ATOM 85 CD PRO A 7 -13.638 7.598 -3.650 1.00 0.00 C ATOM 0 HA PRO A 7 -12.632 4.714 -2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.821 6.993 -3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.224 5.539 -4.621 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.305 7.879 -5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.256 6.409 -5.399 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.364 8.610 -3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.672 7.635 -3.993 1.00 0.00 H new ATOM 93 N PRO A 8 -10.716 4.603 -1.288 1.00 0.00 N ATOM 94 CA PRO A 8 -9.762 4.469 -0.182 1.00 0.00 C ATOM 95 C PRO A 8 -8.698 5.562 -0.197 1.00 0.00 C ATOM 96 O PRO A 8 -8.261 6.003 -1.261 1.00 0.00 O ATOM 97 CB PRO A 8 -9.117 3.092 -0.409 1.00 0.00 C ATOM 98 CG PRO A 8 -9.556 2.658 -1.770 1.00 0.00 C ATOM 99 CD PRO A 8 -10.867 3.339 -2.022 1.00 0.00 C ATOM 0 HA PRO A 8 -10.257 4.562 0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.030 3.154 -0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.437 2.380 0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.820 2.938 -2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.665 1.574 -1.817 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.040 3.505 -3.085 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.707 2.752 -1.651 1.00 0.00 H new ATOM 107 N LEU A 9 -8.287 5.995 0.991 1.00 0.00 N ATOM 108 CA LEU A 9 -7.277 7.039 1.118 1.00 0.00 C ATOM 109 C LEU A 9 -6.345 6.732 2.289 1.00 0.00 C ATOM 110 O LEU A 9 -6.784 6.623 3.434 1.00 0.00 O ATOM 111 CB LEU A 9 -7.963 8.399 1.316 1.00 0.00 C ATOM 112 CG LEU A 9 -7.087 9.641 1.097 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.008 9.748 2.160 1.00 0.00 C ATOM 114 CD2 LEU A 9 -6.465 9.618 -0.290 1.00 0.00 C ATOM 0 H LEU A 9 -8.638 5.638 1.880 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.680 7.075 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.813 8.456 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.362 8.436 2.329 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.727 10.519 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.405 10.637 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.472 9.820 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.372 8.864 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.848 10.506 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.847 8.727 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.254 9.605 -1.042 1.00 0.00 H new ATOM 126 N VAL A 10 -5.058 6.587 1.987 1.00 0.00 N ATOM 127 CA VAL A 10 -4.055 6.281 3.006 1.00 0.00 C ATOM 128 C VAL A 10 -3.689 7.517 3.824 1.00 0.00 C ATOM 129 O VAL A 10 -3.463 8.594 3.272 1.00 0.00 O ATOM 130 CB VAL A 10 -2.780 5.694 2.369 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.727 5.406 3.429 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.113 4.434 1.584 1.00 0.00 C ATOM 0 H VAL A 10 -4.683 6.676 1.043 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.497 5.541 3.673 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.369 6.432 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.837 4.993 2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.467 6.331 3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.122 4.688 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.203 4.031 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.549 3.693 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.826 4.674 0.795 1.00 0.00 H new ATOM 142 N THR A 11 -3.627 7.349 5.143 1.00 0.00 N ATOM 143 CA THR A 11 -3.284 8.444 6.046 1.00 0.00 C ATOM 144 C THR A 11 -2.535 7.933 7.274 1.00 0.00 C ATOM 145 O THR A 11 -2.827 8.335 8.401 1.00 0.00 O ATOM 146 CB THR A 11 -4.540 9.203 6.523 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.452 8.295 7.151 1.00 0.00 O ATOM 148 CG2 THR A 11 -5.232 9.905 5.366 1.00 0.00 C ATOM 0 H THR A 11 -3.811 6.462 5.611 1.00 0.00 H new ATOM 0 HA THR A 11 -2.646 9.122 5.480 1.00 0.00 H new ATOM 0 HB THR A 11 -4.223 9.959 7.242 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.246 8.785 7.452 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.113 10.431 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.546 10.620 4.912 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.534 9.168 4.621 1.00 0.00 H new ATOM 156 N GLY A 12 -1.570 7.043 7.054 1.00 0.00 N ATOM 157 CA GLY A 12 -0.805 6.499 8.163 1.00 0.00 C ATOM 158 C GLY A 12 0.207 5.453 7.731 1.00 0.00 C ATOM 159 O GLY A 12 -0.042 4.682 6.804 1.00 0.00 O ATOM 0 H GLY A 12 -1.306 6.691 6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.285 7.311 8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.490 6.057 8.887 1.00 0.00 H new ATOM 163 N ILE A 13 1.350 5.428 8.413 1.00 0.00 N ATOM 164 CA ILE A 13 2.409 4.471 8.110 1.00 0.00 C ATOM 165 C ILE A 13 3.415 4.408 9.257 1.00 0.00 C ATOM 166 O ILE A 13 3.912 5.438 9.713 1.00 0.00 O ATOM 167 CB ILE A 13 3.144 4.840 6.802 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.225 3.802 6.478 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.752 6.233 6.905 1.00 0.00 C ATOM 170 CD1 ILE A 13 4.888 4.020 5.136 1.00 0.00 C ATOM 0 H ILE A 13 1.566 6.063 9.182 1.00 0.00 H new ATOM 0 HA ILE A 13 1.941 3.495 7.982 1.00 0.00 H new ATOM 0 HB ILE A 13 2.417 4.842 5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.986 3.826 7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.780 2.807 6.497 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.266 6.476 5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.962 6.962 7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.464 6.259 7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.642 3.249 4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.138 3.967 4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.363 5.001 5.120 1.00 0.00 H new ATOM 182 N SER A 14 3.710 3.199 9.727 1.00 0.00 N ATOM 183 CA SER A 14 4.654 3.033 10.825 1.00 0.00 C ATOM 184 C SER A 14 6.067 3.428 10.387 1.00 0.00 C ATOM 185 O SER A 14 6.653 4.349 10.958 1.00 0.00 O ATOM 186 CB SER A 14 4.627 1.597 11.361 1.00 0.00 C ATOM 187 OG SER A 14 5.548 1.431 12.425 1.00 0.00 O ATOM 0 H SER A 14 3.314 2.330 9.369 1.00 0.00 H new ATOM 0 HA SER A 14 4.352 3.696 11.635 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.622 1.353 11.705 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.867 0.901 10.557 1.00 0.00 H new ATOM 0 HG SER A 14 5.510 0.507 12.750 1.00 0.00 H new ATOM 193 N PRO A 15 6.643 2.759 9.361 1.00 0.00 N ATOM 194 CA PRO A 15 7.975 3.083 8.877 1.00 0.00 C ATOM 195 C PRO A 15 7.943 4.097 7.739 1.00 0.00 C ATOM 196 O PRO A 15 7.442 3.806 6.654 1.00 0.00 O ATOM 197 CB PRO A 15 8.471 1.731 8.379 1.00 0.00 C ATOM 198 CG PRO A 15 7.247 1.050 7.855 1.00 0.00 C ATOM 199 CD PRO A 15 6.059 1.647 8.585 1.00 0.00 C ATOM 0 HA PRO A 15 8.605 3.541 9.639 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.224 1.848 7.600 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.931 1.157 9.183 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.153 1.200 6.779 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.302 -0.025 8.024 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.299 2.001 7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.580 0.915 9.235 1.00 0.00 H new ATOM 207 N ASN A 16 8.484 5.285 7.985 1.00 0.00 N ATOM 208 CA ASN A 16 8.513 6.328 6.967 1.00 0.00 C ATOM 209 C ASN A 16 9.821 6.274 6.184 1.00 0.00 C ATOM 210 O ASN A 16 10.310 7.294 5.699 1.00 0.00 O ATOM 211 CB ASN A 16 8.340 7.706 7.610 1.00 0.00 C ATOM 212 CG ASN A 16 7.108 7.783 8.491 1.00 0.00 C ATOM 213 OD1 ASN A 16 6.970 7.028 9.453 1.00 0.00 O ATOM 214 ND2 ASN A 16 6.204 8.700 8.165 1.00 0.00 N ATOM 0 H ASN A 16 8.906 5.549 8.875 1.00 0.00 H new ATOM 0 HA ASN A 16 7.687 6.158 6.277 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.223 7.940 8.204 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.272 8.463 6.828 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.355 8.799 8.721 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.359 9.305 7.359 1.00 0.00 H new ATOM 221 N GLU A 17 10.375 5.067 6.066 1.00 0.00 N ATOM 222 CA GLU A 17 11.627 4.851 5.346 1.00 0.00 C ATOM 223 C GLU A 17 12.038 3.381 5.419 1.00 0.00 C ATOM 224 O GLU A 17 12.043 2.784 6.496 1.00 0.00 O ATOM 225 CB GLU A 17 12.739 5.730 5.925 1.00 0.00 C ATOM 226 CG GLU A 17 12.979 5.509 7.410 1.00 0.00 C ATOM 227 CD GLU A 17 14.078 6.395 7.961 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.226 6.285 7.482 1.00 0.00 O ATOM 229 OE2 GLU A 17 13.789 7.201 8.872 1.00 0.00 O ATOM 0 H GLU A 17 9.971 4.219 6.464 1.00 0.00 H new ATOM 0 HA GLU A 17 11.470 5.124 4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.664 5.535 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.487 6.777 5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.055 5.700 7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.240 4.464 7.581 1.00 0.00 H new ATOM 236 N GLY A 18 12.377 2.800 4.270 1.00 0.00 N ATOM 237 CA GLY A 18 12.777 1.404 4.244 1.00 0.00 C ATOM 238 C GLY A 18 12.866 0.837 2.839 1.00 0.00 C ATOM 239 O GLY A 18 12.076 1.193 1.965 1.00 0.00 O ATOM 0 H GLY A 18 12.382 3.267 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 18 13.745 1.300 4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.063 0.817 4.822 1.00 0.00 H new ATOM 243 N ILE A 19 13.832 -0.053 2.628 1.00 0.00 N ATOM 244 CA ILE A 19 14.030 -0.685 1.327 1.00 0.00 C ATOM 245 C ILE A 19 12.779 -1.452 0.895 1.00 0.00 C ATOM 246 O ILE A 19 11.921 -1.757 1.723 1.00 0.00 O ATOM 247 CB ILE A 19 15.234 -1.649 1.353 1.00 0.00 C ATOM 248 CG1 ILE A 19 14.981 -2.793 2.339 1.00 0.00 C ATOM 249 CG2 ILE A 19 16.505 -0.893 1.718 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.074 -3.840 2.352 1.00 0.00 C ATOM 0 H ILE A 19 14.492 -0.354 3.345 1.00 0.00 H new ATOM 0 HA ILE A 19 14.228 0.111 0.609 1.00 0.00 H new ATOM 0 HB ILE A 19 15.362 -2.078 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 19 14.875 -2.379 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.034 -3.272 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.348 -1.584 1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 19 16.689 -0.113 0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.389 -0.441 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.825 -4.617 3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.166 -4.282 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.020 -3.375 2.631 1.00 0.00 H new ATOM 262 N PRO A 20 12.649 -1.766 -0.410 1.00 0.00 N ATOM 263 CA PRO A 20 11.487 -2.491 -0.936 1.00 0.00 C ATOM 264 C PRO A 20 11.133 -3.731 -0.114 1.00 0.00 C ATOM 265 O PRO A 20 9.958 -4.050 0.067 1.00 0.00 O ATOM 266 CB PRO A 20 11.924 -2.886 -2.347 1.00 0.00 C ATOM 267 CG PRO A 20 12.901 -1.835 -2.741 1.00 0.00 C ATOM 268 CD PRO A 20 13.614 -1.429 -1.478 1.00 0.00 C ATOM 0 HA PRO A 20 10.586 -1.879 -0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.379 -3.876 -2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.076 -2.917 -3.031 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.605 -2.216 -3.480 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.394 -0.982 -3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 20 14.552 -1.970 -1.356 1.00 0.00 H new ATOM 0 HD3 PRO A 20 13.857 -0.366 -1.478 1.00 0.00 H new ATOM 276 N TRP A 21 12.147 -4.432 0.381 1.00 0.00 N ATOM 277 CA TRP A 21 11.921 -5.634 1.177 1.00 0.00 C ATOM 278 C TRP A 21 11.372 -5.297 2.563 1.00 0.00 C ATOM 279 O TRP A 21 10.669 -6.105 3.168 1.00 0.00 O ATOM 280 CB TRP A 21 13.207 -6.449 1.307 1.00 0.00 C ATOM 281 CG TRP A 21 13.675 -7.017 0.003 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.721 -6.579 -0.756 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.094 -8.116 -0.707 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.837 -7.351 -1.888 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.848 -8.299 -1.882 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.013 -8.969 -0.461 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.554 -9.297 -2.807 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.721 -9.958 -1.381 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.490 -10.116 -2.542 1.00 0.00 C ATOM 0 H TRP A 21 13.129 -4.191 0.246 1.00 0.00 H new ATOM 0 HA TRP A 21 11.175 -6.232 0.654 1.00 0.00 H new ATOM 0 HB2 TRP A 21 13.991 -5.816 1.723 1.00 0.00 H new ATOM 0 HB3 TRP A 21 13.045 -7.263 2.014 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.363 -5.748 -0.505 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.544 -7.236 -2.614 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.417 -8.857 0.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.145 -9.421 -3.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.887 -10.620 -1.202 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.238 -10.899 -3.241 1.00 0.00 H new ATOM 300 N THR A 22 11.701 -4.110 3.063 1.00 0.00 N ATOM 301 CA THR A 22 11.241 -3.685 4.384 1.00 0.00 C ATOM 302 C THR A 22 9.721 -3.728 4.489 1.00 0.00 C ATOM 303 O THR A 22 9.014 -3.168 3.650 1.00 0.00 O ATOM 304 CB THR A 22 11.722 -2.258 4.718 1.00 0.00 C ATOM 305 OG1 THR A 22 13.154 -2.220 4.753 1.00 0.00 O ATOM 306 CG2 THR A 22 11.165 -1.790 6.058 1.00 0.00 C ATOM 0 H THR A 22 12.282 -3.427 2.577 1.00 0.00 H new ATOM 0 HA THR A 22 11.670 -4.387 5.099 1.00 0.00 H new ATOM 0 HB THR A 22 11.357 -1.588 3.940 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.452 -1.311 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.521 -0.781 6.267 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.076 -1.790 6.019 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.500 -2.464 6.847 1.00 0.00 H new ATOM 314 N LYS A 23 9.227 -4.386 5.532 1.00 0.00 N ATOM 315 CA LYS A 23 7.791 -4.492 5.758 1.00 0.00 C ATOM 316 C LYS A 23 7.213 -3.143 6.165 1.00 0.00 C ATOM 317 O LYS A 23 7.796 -2.430 6.981 1.00 0.00 O ATOM 318 CB LYS A 23 7.491 -5.530 6.842 1.00 0.00 C ATOM 319 CG LYS A 23 7.876 -6.948 6.456 1.00 0.00 C ATOM 320 CD LYS A 23 7.590 -7.929 7.582 1.00 0.00 C ATOM 321 CE LYS A 23 7.986 -9.346 7.198 1.00 0.00 C ATOM 322 NZ LYS A 23 7.696 -10.320 8.287 1.00 0.00 N ATOM 0 H LYS A 23 9.800 -4.854 6.234 1.00 0.00 H new ATOM 0 HA LYS A 23 7.325 -4.811 4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.022 -5.254 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.426 -5.503 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.325 -7.246 5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.936 -6.982 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.135 -7.627 8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.529 -7.901 7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.450 -9.641 6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.049 -9.374 6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.981 -11.274 7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.227 -10.054 9.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.677 -10.313 8.497 1.00 0.00 H new ATOM 336 N VAL A 24 6.064 -2.800 5.597 1.00 0.00 N ATOM 337 CA VAL A 24 5.410 -1.538 5.912 1.00 0.00 C ATOM 338 C VAL A 24 3.913 -1.737 6.120 1.00 0.00 C ATOM 339 O VAL A 24 3.207 -2.217 5.232 1.00 0.00 O ATOM 340 CB VAL A 24 5.643 -0.487 4.805 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.122 -0.154 4.688 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.100 -0.975 3.469 1.00 0.00 C ATOM 0 H VAL A 24 5.567 -3.377 4.918 1.00 0.00 H new ATOM 0 HA VAL A 24 5.853 -1.170 6.837 1.00 0.00 H new ATOM 0 HB VAL A 24 5.104 0.419 5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.267 0.588 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.481 0.246 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.680 -1.057 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.276 -0.217 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.605 -1.899 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.029 -1.159 3.557 1.00 0.00 H new ATOM 352 N THR A 25 3.436 -1.371 7.303 1.00 0.00 N ATOM 353 CA THR A 25 2.024 -1.512 7.628 1.00 0.00 C ATOM 354 C THR A 25 1.218 -0.359 7.045 1.00 0.00 C ATOM 355 O THR A 25 1.415 0.799 7.416 1.00 0.00 O ATOM 356 CB THR A 25 1.798 -1.571 9.151 1.00 0.00 C ATOM 357 OG1 THR A 25 2.562 -2.643 9.717 1.00 0.00 O ATOM 358 CG2 THR A 25 0.325 -1.769 9.475 1.00 0.00 C ATOM 0 H THR A 25 4.005 -0.975 8.051 1.00 0.00 H new ATOM 0 HA THR A 25 1.686 -2.450 7.188 1.00 0.00 H new ATOM 0 HB THR A 25 2.123 -0.623 9.580 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.415 -2.674 10.685 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.192 -1.807 10.556 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.252 -0.939 9.068 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.022 -2.703 9.034 1.00 0.00 H new ATOM 366 N ILE A 26 0.307 -0.682 6.134 1.00 0.00 N ATOM 367 CA ILE A 26 -0.529 0.330 5.505 1.00 0.00 C ATOM 368 C ILE A 26 -1.648 0.769 6.441 1.00 0.00 C ATOM 369 O ILE A 26 -2.228 -0.049 7.156 1.00 0.00 O ATOM 370 CB ILE A 26 -1.142 -0.178 4.184 1.00 0.00 C ATOM 371 CG1 ILE A 26 -0.042 -0.662 3.236 1.00 0.00 C ATOM 372 CG2 ILE A 26 -1.965 0.923 3.531 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.566 -1.204 1.922 1.00 0.00 C ATOM 0 H ILE A 26 0.130 -1.635 5.816 1.00 0.00 H new ATOM 0 HA ILE A 26 0.115 1.181 5.285 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.799 -1.020 4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.639 0.164 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.539 -1.439 3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.393 0.553 2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.767 1.225 4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.325 1.780 3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.270 -1.528 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.224 -2.051 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.122 -0.424 1.402 1.00 0.00 H new ATOM 385 N ARG A 27 -1.948 2.062 6.429 1.00 0.00 N ATOM 386 CA ARG A 27 -3.000 2.617 7.273 1.00 0.00 C ATOM 387 C ARG A 27 -3.686 3.783 6.570 1.00 0.00 C ATOM 388 O ARG A 27 -3.022 4.682 6.054 1.00 0.00 O ATOM 389 CB ARG A 27 -2.421 3.088 8.610 1.00 0.00 C ATOM 390 CG ARG A 27 -1.882 1.964 9.483 1.00 0.00 C ATOM 391 CD ARG A 27 -2.992 1.039 9.953 1.00 0.00 C ATOM 392 NE ARG A 27 -4.023 1.758 10.696 1.00 0.00 N ATOM 393 CZ ARG A 27 -5.095 1.176 11.226 1.00 0.00 C ATOM 394 NH1 ARG A 27 -5.269 -0.133 11.108 1.00 0.00 N ATOM 395 NH2 ARG A 27 -5.991 1.904 11.878 1.00 0.00 N ATOM 0 H ARG A 27 -1.475 2.749 5.841 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.735 1.834 7.462 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.619 3.800 8.416 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.195 3.623 9.161 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.143 1.391 8.924 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.370 2.387 10.347 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.443 0.546 9.092 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.570 0.256 10.583 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.915 2.765 10.816 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.580 -0.696 10.610 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.092 -0.577 11.515 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.858 2.911 11.973 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.813 1.457 12.284 1.00 0.00 H new ATOM 409 N GLY A 28 -5.015 3.762 6.549 1.00 0.00 N ATOM 410 CA GLY A 28 -5.763 4.823 5.900 1.00 0.00 C ATOM 411 C GLY A 28 -7.249 4.746 6.183 1.00 0.00 C ATOM 412 O GLY A 28 -7.661 4.620 7.336 1.00 0.00 O ATOM 0 H GLY A 28 -5.587 3.030 6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.383 5.788 6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.599 4.772 4.824 1.00 0.00 H new ATOM 416 N GLU A 29 -8.058 4.826 5.128 1.00 0.00 N ATOM 417 CA GLU A 29 -9.509 4.771 5.273 1.00 0.00 C ATOM 418 C GLU A 29 -10.159 4.080 4.076 1.00 0.00 C ATOM 419 O GLU A 29 -9.813 4.350 2.926 1.00 0.00 O ATOM 420 CB GLU A 29 -10.083 6.182 5.421 1.00 0.00 C ATOM 421 CG GLU A 29 -9.531 6.948 6.612 1.00 0.00 C ATOM 422 CD GLU A 29 -10.120 8.340 6.734 1.00 0.00 C ATOM 423 OE1 GLU A 29 -11.355 8.450 6.889 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.347 9.319 6.675 1.00 0.00 O ATOM 0 H GLU A 29 -7.733 4.929 4.167 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.730 4.192 6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.876 6.745 4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.167 6.115 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.736 6.389 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.447 7.023 6.521 1.00 0.00 H new ATOM 431 N ASN A 30 -11.113 3.200 4.365 1.00 0.00 N ATOM 432 CA ASN A 30 -11.843 2.467 3.332 1.00 0.00 C ATOM 433 C ASN A 30 -10.926 1.576 2.493 1.00 0.00 C ATOM 434 O ASN A 30 -11.126 1.434 1.287 1.00 0.00 O ATOM 435 CB ASN A 30 -12.594 3.441 2.420 1.00 0.00 C ATOM 436 CG ASN A 30 -13.584 4.300 3.181 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.500 3.789 3.825 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.404 5.614 3.110 1.00 0.00 N ATOM 0 H ASN A 30 -11.402 2.975 5.317 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.554 1.818 3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.876 4.084 1.910 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.122 2.879 1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.039 6.243 3.601 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.631 5.994 2.564 1.00 0.00 H new ATOM 445 N LEU A 31 -9.939 0.957 3.134 1.00 0.00 N ATOM 446 CA LEU A 31 -9.023 0.061 2.431 1.00 0.00 C ATOM 447 C LEU A 31 -9.626 -1.338 2.322 1.00 0.00 C ATOM 448 O LEU A 31 -8.990 -2.331 2.676 1.00 0.00 O ATOM 449 CB LEU A 31 -7.661 -0.002 3.132 1.00 0.00 C ATOM 450 CG LEU A 31 -6.733 1.189 2.873 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.320 2.469 3.441 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.354 0.929 3.459 1.00 0.00 C ATOM 0 H LEU A 31 -9.753 1.057 4.132 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.869 0.459 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.828 -0.084 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.151 -0.913 2.818 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.634 1.311 1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.642 3.299 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.283 2.668 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.457 2.360 4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.709 1.786 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.439 0.775 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.924 0.040 2.998 1.00 0.00 H new ATOM 464 N GLY A 32 -10.863 -1.400 1.837 1.00 0.00 N ATOM 465 CA GLY A 32 -11.549 -2.673 1.695 1.00 0.00 C ATOM 466 C GLY A 32 -11.938 -3.266 3.034 1.00 0.00 C ATOM 467 O GLY A 32 -11.079 -3.548 3.870 1.00 0.00 O ATOM 0 H GLY A 32 -11.404 -0.589 1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.443 -2.536 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.905 -3.373 1.163 1.00 0.00 H new ATOM 471 N THR A 33 -13.238 -3.449 3.242 1.00 0.00 N ATOM 472 CA THR A 33 -13.743 -4.006 4.492 1.00 0.00 C ATOM 473 C THR A 33 -13.839 -5.527 4.424 1.00 0.00 C ATOM 474 O THR A 33 -14.812 -6.119 4.895 1.00 0.00 O ATOM 475 CB THR A 33 -15.128 -3.429 4.836 1.00 0.00 C ATOM 476 OG1 THR A 33 -16.077 -3.801 3.830 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.067 -1.913 4.943 1.00 0.00 C ATOM 0 H THR A 33 -13.961 -3.220 2.561 1.00 0.00 H new ATOM 0 HA THR A 33 -13.034 -3.729 5.272 1.00 0.00 H new ATOM 0 HB THR A 33 -15.440 -3.836 5.798 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.956 -3.432 4.057 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.056 -1.525 5.187 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.364 -1.632 5.727 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.737 -1.494 3.992 1.00 0.00 H new ATOM 485 N GLY A 34 -12.828 -6.156 3.834 1.00 0.00 N ATOM 486 CA GLY A 34 -12.826 -7.602 3.717 1.00 0.00 C ATOM 487 C GLY A 34 -11.717 -8.115 2.816 1.00 0.00 C ATOM 488 O GLY A 34 -11.292 -7.414 1.898 1.00 0.00 O ATOM 0 H GLY A 34 -12.012 -5.691 3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.717 -8.043 4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.788 -7.932 3.326 1.00 0.00 H new ATOM 492 N PRO A 35 -11.227 -9.346 3.052 1.00 0.00 N ATOM 493 CA PRO A 35 -10.162 -9.939 2.237 1.00 0.00 C ATOM 494 C PRO A 35 -10.521 -9.944 0.758 1.00 0.00 C ATOM 495 O PRO A 35 -9.695 -9.628 -0.099 1.00 0.00 O ATOM 496 CB PRO A 35 -10.056 -11.375 2.759 1.00 0.00 C ATOM 497 CG PRO A 35 -10.651 -11.344 4.126 1.00 0.00 C ATOM 498 CD PRO A 35 -11.684 -10.254 4.121 1.00 0.00 C ATOM 0 HA PRO A 35 -9.230 -9.379 2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.593 -12.069 2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.018 -11.706 2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.103 -12.305 4.374 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.886 -11.149 4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.680 -10.647 3.915 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.735 -9.746 5.084 1.00 0.00 H new ATOM 506 N THR A 36 -11.767 -10.303 0.472 1.00 0.00 N ATOM 507 CA THR A 36 -12.267 -10.355 -0.894 1.00 0.00 C ATOM 508 C THR A 36 -12.225 -8.983 -1.560 1.00 0.00 C ATOM 509 O THR A 36 -11.971 -8.877 -2.761 1.00 0.00 O ATOM 510 CB THR A 36 -13.710 -10.893 -0.929 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.260 -10.749 -2.244 1.00 0.00 O ATOM 512 CG2 THR A 36 -14.580 -10.165 0.083 1.00 0.00 C ATOM 0 H THR A 36 -12.455 -10.565 1.178 1.00 0.00 H new ATOM 0 HA THR A 36 -11.614 -11.031 -1.447 1.00 0.00 H new ATOM 0 HB THR A 36 -13.688 -11.951 -0.668 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.177 -11.095 -2.255 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.595 -10.560 0.042 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.174 -10.311 1.084 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.596 -9.100 -0.150 1.00 0.00 H new ATOM 520 N ASP A 37 -12.480 -7.938 -0.776 1.00 0.00 N ATOM 521 CA ASP A 37 -12.478 -6.569 -1.290 1.00 0.00 C ATOM 522 C ASP A 37 -11.190 -6.259 -2.047 1.00 0.00 C ATOM 523 O ASP A 37 -11.227 -5.739 -3.163 1.00 0.00 O ATOM 524 CB ASP A 37 -12.660 -5.571 -0.145 1.00 0.00 C ATOM 525 CG ASP A 37 -14.003 -5.718 0.541 1.00 0.00 C ATOM 526 OD1 ASP A 37 -14.285 -6.816 1.066 1.00 0.00 O ATOM 527 OD2 ASP A 37 -14.774 -4.735 0.554 1.00 0.00 O ATOM 0 H ASP A 37 -12.691 -8.013 0.219 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.312 -6.476 -1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -11.864 -5.712 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.562 -4.557 -0.532 1.00 0.00 H new ATOM 532 N LEU A 38 -10.053 -6.579 -1.437 1.00 0.00 N ATOM 533 CA LEU A 38 -8.760 -6.330 -2.063 1.00 0.00 C ATOM 534 C LEU A 38 -8.581 -7.237 -3.278 1.00 0.00 C ATOM 535 O LEU A 38 -8.739 -8.454 -3.180 1.00 0.00 O ATOM 536 CB LEU A 38 -7.631 -6.567 -1.054 1.00 0.00 C ATOM 537 CG LEU A 38 -6.464 -5.576 -1.122 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.390 -5.952 -0.114 1.00 0.00 C ATOM 539 CD2 LEU A 38 -5.879 -5.513 -2.525 1.00 0.00 C ATOM 0 H LEU A 38 -10.001 -7.009 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.723 -5.292 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.053 -6.536 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.239 -7.573 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.847 -4.586 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.568 -5.239 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.812 -5.935 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.019 -6.953 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.053 -4.802 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.515 -6.500 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.649 -5.192 -3.226 1.00 0.00 H new ATOM 551 N ILE A 39 -8.253 -6.641 -4.421 1.00 0.00 N ATOM 552 CA ILE A 39 -8.058 -7.401 -5.654 1.00 0.00 C ATOM 553 C ILE A 39 -6.991 -6.752 -6.526 1.00 0.00 C ATOM 554 O ILE A 39 -6.929 -6.984 -7.733 1.00 0.00 O ATOM 555 CB ILE A 39 -9.363 -7.498 -6.468 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.858 -6.096 -6.837 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.423 -8.258 -5.683 1.00 0.00 C ATOM 558 CD1 ILE A 39 -11.100 -6.095 -7.703 1.00 0.00 C ATOM 0 H ILE A 39 -8.117 -5.635 -4.520 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.741 -8.402 -5.363 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.165 -8.047 -7.389 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.064 -5.541 -5.922 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.062 -5.565 -7.359 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.339 -8.318 -6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.064 -9.264 -5.467 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.626 -7.737 -4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.390 -5.067 -7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.894 -6.621 -8.635 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.912 -6.596 -7.176 1.00 0.00 H new ATOM 570 N GLY A 40 -6.155 -5.938 -5.898 1.00 0.00 N ATOM 571 CA GLY A 40 -5.095 -5.257 -6.613 1.00 0.00 C ATOM 572 C GLY A 40 -4.314 -4.326 -5.712 1.00 0.00 C ATOM 573 O GLY A 40 -4.893 -3.639 -4.872 1.00 0.00 O ATOM 0 H GLY A 40 -6.193 -5.736 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.419 -5.993 -7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.522 -4.689 -7.440 1.00 0.00 H new ATOM 577 N LEU A 41 -2.998 -4.302 -5.879 1.00 0.00 N ATOM 578 CA LEU A 41 -2.150 -3.445 -5.062 1.00 0.00 C ATOM 579 C LEU A 41 -0.912 -3.005 -5.834 1.00 0.00 C ATOM 580 O LEU A 41 -0.381 -3.752 -6.655 1.00 0.00 O ATOM 581 CB LEU A 41 -1.729 -4.166 -3.781 1.00 0.00 C ATOM 582 CG LEU A 41 -1.090 -3.266 -2.724 1.00 0.00 C ATOM 583 CD1 LEU A 41 -2.138 -2.366 -2.088 1.00 0.00 C ATOM 584 CD2 LEU A 41 -0.383 -4.097 -1.668 1.00 0.00 C ATOM 0 H LEU A 41 -2.497 -4.863 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.730 -2.560 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.605 -4.648 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.025 -4.957 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.347 -2.636 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.666 -1.732 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.595 -1.741 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.905 -2.979 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.065 -3.437 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.102 -4.756 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.397 -4.696 -2.138 1.00 0.00 H new ATOM 596 N THR A 42 -0.457 -1.789 -5.556 1.00 0.00 N ATOM 597 CA THR A 42 0.720 -1.238 -6.215 1.00 0.00 C ATOM 598 C THR A 42 1.439 -0.243 -5.315 1.00 0.00 C ATOM 599 O THR A 42 0.815 0.624 -4.704 1.00 0.00 O ATOM 600 CB THR A 42 0.363 -0.529 -7.537 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.738 0.365 -7.334 1.00 0.00 O ATOM 602 CG2 THR A 42 0.023 -1.533 -8.627 1.00 0.00 C ATOM 0 H THR A 42 -0.888 -1.164 -4.875 1.00 0.00 H new ATOM 0 HA THR A 42 1.373 -2.084 -6.429 1.00 0.00 H new ATOM 0 HB THR A 42 1.235 0.040 -7.860 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.956 0.812 -8.178 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.224 -1.002 -9.546 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.880 -2.183 -8.803 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.831 -2.134 -8.314 1.00 0.00 H new ATOM 610 N ILE A 43 2.757 -0.370 -5.252 1.00 0.00 N ATOM 611 CA ILE A 43 3.577 0.518 -4.443 1.00 0.00 C ATOM 612 C ILE A 43 4.791 0.972 -5.242 1.00 0.00 C ATOM 613 O ILE A 43 5.539 0.147 -5.769 1.00 0.00 O ATOM 614 CB ILE A 43 4.045 -0.170 -3.146 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.841 -0.684 -2.350 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.869 0.795 -2.307 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.219 -1.461 -1.106 1.00 0.00 C ATOM 0 H ILE A 43 3.283 -1.084 -5.755 1.00 0.00 H new ATOM 0 HA ILE A 43 2.967 1.380 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 43 4.672 -1.022 -3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.218 0.163 -2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.235 -1.321 -2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.194 0.297 -1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.742 1.117 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.262 1.664 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.315 -1.792 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.816 -2.329 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.798 -0.822 -0.440 1.00 0.00 H new ATOM 629 N CYS A 44 4.973 2.285 -5.346 1.00 0.00 N ATOM 630 CA CYS A 44 6.086 2.844 -6.104 1.00 0.00 C ATOM 631 C CYS A 44 6.047 2.333 -7.542 1.00 0.00 C ATOM 632 O CYS A 44 7.083 2.079 -8.154 1.00 0.00 O ATOM 633 CB CYS A 44 7.421 2.473 -5.451 1.00 0.00 C ATOM 634 SG CYS A 44 7.578 3.015 -3.733 1.00 0.00 S ATOM 0 H CYS A 44 4.364 2.981 -4.915 1.00 0.00 H new ATOM 0 HA CYS A 44 5.993 3.930 -6.109 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.545 1.391 -5.492 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.232 2.909 -6.034 1.00 0.00 H new ATOM 0 HG CYS A 44 8.706 3.642 -3.577 1.00 0.00 H new ATOM 640 N GLY A 45 4.833 2.184 -8.068 1.00 0.00 N ATOM 641 CA GLY A 45 4.655 1.700 -9.427 1.00 0.00 C ATOM 642 C GLY A 45 5.173 0.288 -9.623 1.00 0.00 C ATOM 643 O GLY A 45 5.663 -0.055 -10.699 1.00 0.00 O ATOM 0 H GLY A 45 3.965 2.391 -7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.596 1.732 -9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.170 2.369 -10.116 1.00 0.00 H new ATOM 647 N HIS A 46 5.057 -0.536 -8.585 1.00 0.00 N ATOM 648 CA HIS A 46 5.511 -1.922 -8.655 1.00 0.00 C ATOM 649 C HIS A 46 4.428 -2.871 -8.149 1.00 0.00 C ATOM 650 O HIS A 46 3.854 -2.659 -7.080 1.00 0.00 O ATOM 651 CB HIS A 46 6.790 -2.108 -7.836 1.00 0.00 C ATOM 652 CG HIS A 46 7.417 -3.458 -8.005 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.929 -3.906 -9.206 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.611 -4.465 -7.118 1.00 0.00 C ATOM 655 CE1 HIS A 46 8.410 -5.126 -9.049 1.00 0.00 C ATOM 656 NE2 HIS A 46 8.229 -5.487 -7.794 1.00 0.00 N ATOM 0 H HIS A 46 4.653 -0.269 -7.687 1.00 0.00 H new ATOM 0 HA HIS A 46 5.722 -2.157 -9.698 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.511 -1.343 -8.124 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.563 -1.951 -6.782 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.332 -4.463 -6.075 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.873 -5.726 -9.818 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.504 -6.382 -7.390 1.00 0.00 H new ATOM 665 N ASN A 47 4.152 -3.916 -8.922 1.00 0.00 N ATOM 666 CA ASN A 47 3.135 -4.898 -8.553 1.00 0.00 C ATOM 667 C ASN A 47 3.576 -5.695 -7.327 1.00 0.00 C ATOM 668 O ASN A 47 4.700 -6.193 -7.272 1.00 0.00 O ATOM 669 CB ASN A 47 2.867 -5.846 -9.724 1.00 0.00 C ATOM 670 CG ASN A 47 1.694 -6.783 -9.480 1.00 0.00 C ATOM 671 OD1 ASN A 47 1.426 -7.675 -10.286 1.00 0.00 O ATOM 672 ND2 ASN A 47 0.978 -6.582 -8.377 1.00 0.00 N ATOM 0 H ASN A 47 4.618 -4.106 -9.809 1.00 0.00 H new ATOM 0 HA ASN A 47 2.216 -4.365 -8.309 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.674 -5.259 -10.622 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.762 -6.437 -9.917 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.175 -7.178 -8.175 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.232 -5.832 -7.734 1.00 0.00 H new ATOM 679 N CYS A 48 2.679 -5.817 -6.348 1.00 0.00 N ATOM 680 CA CYS A 48 2.973 -6.559 -5.124 1.00 0.00 C ATOM 681 C CYS A 48 1.692 -7.113 -4.502 1.00 0.00 C ATOM 682 O CYS A 48 1.534 -7.114 -3.281 1.00 0.00 O ATOM 683 CB CYS A 48 3.685 -5.660 -4.110 1.00 0.00 C ATOM 684 SG CYS A 48 5.289 -5.034 -4.661 1.00 0.00 S ATOM 0 H CYS A 48 1.744 -5.411 -6.380 1.00 0.00 H new ATOM 0 HA CYS A 48 3.626 -7.391 -5.387 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.039 -4.813 -3.877 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.825 -6.218 -3.184 1.00 0.00 H new ATOM 0 HG CYS A 48 5.522 -5.444 -5.873 1.00 0.00 H new ATOM 690 N LEU A 49 0.780 -7.581 -5.348 1.00 0.00 N ATOM 691 CA LEU A 49 -0.486 -8.137 -4.879 1.00 0.00 C ATOM 692 C LEU A 49 -0.289 -9.517 -4.259 1.00 0.00 C ATOM 693 O LEU A 49 -0.812 -9.805 -3.182 1.00 0.00 O ATOM 694 CB LEU A 49 -1.487 -8.223 -6.034 1.00 0.00 C ATOM 695 CG LEU A 49 -2.837 -8.856 -5.684 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.562 -8.030 -4.631 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.694 -9.003 -6.931 1.00 0.00 C ATOM 0 H LEU A 49 0.893 -7.587 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.879 -7.471 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.664 -7.217 -6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.035 -8.796 -6.843 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.654 -9.848 -5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.519 -8.497 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.954 -7.977 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.734 -7.024 -5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.650 -9.454 -6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.867 -8.021 -7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.181 -9.639 -7.652 1.00 0.00 H new ATOM 709 N LEU A 50 0.457 -10.369 -4.956 1.00 0.00 N ATOM 710 CA LEU A 50 0.718 -11.730 -4.492 1.00 0.00 C ATOM 711 C LEU A 50 1.258 -11.744 -3.062 1.00 0.00 C ATOM 712 O LEU A 50 0.884 -12.600 -2.259 1.00 0.00 O ATOM 713 CB LEU A 50 1.703 -12.443 -5.427 1.00 0.00 C ATOM 714 CG LEU A 50 3.139 -11.902 -5.428 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.060 -12.859 -6.169 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.206 -10.520 -6.064 1.00 0.00 C ATOM 0 H LEU A 50 0.894 -10.140 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.233 -12.262 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.733 -13.498 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.314 -12.387 -6.444 1.00 0.00 H new ATOM 0 HG LEU A 50 3.467 -11.817 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.076 -12.464 -6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.046 -13.832 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.719 -12.968 -7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.236 -10.163 -6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.855 -10.576 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.575 -9.830 -5.503 1.00 0.00 H new ATOM 728 N THR A 51 2.139 -10.800 -2.752 1.00 0.00 N ATOM 729 CA THR A 51 2.733 -10.712 -1.420 1.00 0.00 C ATOM 730 C THR A 51 1.788 -10.029 -0.436 1.00 0.00 C ATOM 731 O THR A 51 1.775 -10.355 0.752 1.00 0.00 O ATOM 732 CB THR A 51 4.068 -9.943 -1.448 1.00 0.00 C ATOM 733 OG1 THR A 51 3.867 -8.630 -1.985 1.00 0.00 O ATOM 734 CG2 THR A 51 5.105 -10.682 -2.278 1.00 0.00 C ATOM 0 H THR A 51 2.459 -10.084 -3.404 1.00 0.00 H new ATOM 0 HA THR A 51 2.917 -11.735 -1.091 1.00 0.00 H new ATOM 0 HB THR A 51 4.436 -9.865 -0.425 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.720 -8.148 -1.998 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.038 -10.118 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.279 -11.669 -1.848 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.743 -10.790 -3.300 1.00 0.00 H new ATOM 742 N ALA A 52 1.010 -9.075 -0.937 1.00 0.00 N ATOM 743 CA ALA A 52 0.068 -8.333 -0.106 1.00 0.00 C ATOM 744 C ALA A 52 -0.848 -9.265 0.681 1.00 0.00 C ATOM 745 O ALA A 52 -1.392 -10.227 0.137 1.00 0.00 O ATOM 746 CB ALA A 52 -0.757 -7.391 -0.967 1.00 0.00 C ATOM 0 H ALA A 52 1.013 -8.797 -1.918 1.00 0.00 H new ATOM 0 HA ALA A 52 0.646 -7.753 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.457 -6.842 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.096 -6.688 -1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.311 -7.967 -1.709 1.00 0.00 H new ATOM 752 N GLU A 53 -1.016 -8.965 1.966 1.00 0.00 N ATOM 753 CA GLU A 53 -1.868 -9.764 2.839 1.00 0.00 C ATOM 754 C GLU A 53 -2.896 -8.882 3.543 1.00 0.00 C ATOM 755 O GLU A 53 -2.549 -7.853 4.124 1.00 0.00 O ATOM 756 CB GLU A 53 -1.018 -10.505 3.874 1.00 0.00 C ATOM 757 CG GLU A 53 -1.822 -11.403 4.803 1.00 0.00 C ATOM 758 CD GLU A 53 -2.483 -12.561 4.077 1.00 0.00 C ATOM 759 OE1 GLU A 53 -3.322 -12.307 3.188 1.00 0.00 O ATOM 760 OE2 GLU A 53 -2.160 -13.724 4.401 1.00 0.00 O ATOM 0 H GLU A 53 -0.571 -8.171 2.426 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.398 -10.493 2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.275 -11.109 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.473 -9.775 4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.165 -11.795 5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.587 -10.809 5.302 1.00 0.00 H new ATOM 767 N TRP A 54 -4.159 -9.289 3.487 1.00 0.00 N ATOM 768 CA TRP A 54 -5.237 -8.534 4.118 1.00 0.00 C ATOM 769 C TRP A 54 -5.173 -8.655 5.638 1.00 0.00 C ATOM 770 O TRP A 54 -4.770 -9.689 6.171 1.00 0.00 O ATOM 771 CB TRP A 54 -6.597 -9.031 3.625 1.00 0.00 C ATOM 772 CG TRP A 54 -7.741 -8.193 4.110 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.243 -7.069 3.520 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.507 -8.399 5.301 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.288 -6.574 4.262 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.468 -7.371 5.362 1.00 0.00 C ATOM 777 CE3 TRP A 54 -8.479 -9.356 6.318 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.389 -7.274 6.400 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -9.393 -9.258 7.350 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.337 -8.224 7.384 1.00 0.00 C ATOM 0 H TRP A 54 -4.463 -10.138 3.011 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.114 -7.486 3.844 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.599 -9.043 2.535 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.743 -10.060 3.955 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.873 -6.633 2.604 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.840 -5.748 4.032 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.756 -10.158 6.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.118 -6.478 6.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.379 -9.991 8.143 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.039 -8.175 8.204 1.00 0.00 H new ATOM 791 N MET A 55 -5.582 -7.595 6.332 1.00 0.00 N ATOM 792 CA MET A 55 -5.580 -7.588 7.792 1.00 0.00 C ATOM 793 C MET A 55 -6.842 -6.923 8.333 1.00 0.00 C ATOM 794 O MET A 55 -7.511 -7.465 9.213 1.00 0.00 O ATOM 795 CB MET A 55 -4.342 -6.866 8.325 1.00 0.00 C ATOM 796 CG MET A 55 -3.029 -7.499 7.889 1.00 0.00 C ATOM 797 SD MET A 55 -2.861 -9.209 8.440 1.00 0.00 S ATOM 798 CE MET A 55 -2.893 -9.006 10.219 1.00 0.00 C ATOM 0 H MET A 55 -5.919 -6.731 5.907 1.00 0.00 H new ATOM 0 HA MET A 55 -5.558 -8.623 8.132 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.364 -5.829 7.989 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.383 -6.849 9.414 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.957 -7.464 6.802 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.199 -6.912 8.283 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.520 -9.913 10.695 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.262 -8.163 10.500 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.916 -8.819 10.545 1.00 0.00 H new ATOM 808 N SER A 56 -7.168 -5.747 7.797 1.00 0.00 N ATOM 809 CA SER A 56 -8.355 -5.014 8.225 1.00 0.00 C ATOM 810 C SER A 56 -8.762 -3.989 7.173 1.00 0.00 C ATOM 811 O SER A 56 -8.172 -3.923 6.095 1.00 0.00 O ATOM 812 CB SER A 56 -8.096 -4.311 9.560 1.00 0.00 C ATOM 813 OG SER A 56 -7.813 -5.244 10.587 1.00 0.00 O ATOM 0 H SER A 56 -6.627 -5.284 7.067 1.00 0.00 H new ATOM 0 HA SER A 56 -9.168 -5.729 8.352 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.260 -3.620 9.453 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.967 -3.717 9.836 1.00 0.00 H new ATOM 0 HG SER A 56 -8.052 -6.145 10.285 1.00 0.00 H new ATOM 819 N ALA A 57 -9.774 -3.186 7.497 1.00 0.00 N ATOM 820 CA ALA A 57 -10.258 -2.160 6.580 1.00 0.00 C ATOM 821 C ALA A 57 -9.343 -0.939 6.594 1.00 0.00 C ATOM 822 O ALA A 57 -9.806 0.197 6.482 1.00 0.00 O ATOM 823 CB ALA A 57 -11.680 -1.761 6.942 1.00 0.00 C ATOM 0 H ALA A 57 -10.273 -3.227 8.386 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.254 -2.574 5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.030 -0.995 6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.330 -2.633 6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.700 -1.369 7.959 1.00 0.00 H new ATOM 829 N SER A 58 -8.042 -1.184 6.732 1.00 0.00 N ATOM 830 CA SER A 58 -7.054 -0.113 6.762 1.00 0.00 C ATOM 831 C SER A 58 -5.641 -0.683 6.862 1.00 0.00 C ATOM 832 O SER A 58 -4.726 -0.219 6.182 1.00 0.00 O ATOM 833 CB SER A 58 -7.318 0.826 7.943 1.00 0.00 C ATOM 834 OG SER A 58 -7.253 0.129 9.175 1.00 0.00 O ATOM 0 H SER A 58 -7.648 -2.120 6.825 1.00 0.00 H new ATOM 0 HA SER A 58 -7.140 0.451 5.833 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.586 1.634 7.940 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.300 1.286 7.833 1.00 0.00 H new ATOM 0 HG SER A 58 -7.423 0.752 9.912 1.00 0.00 H new ATOM 840 N LYS A 59 -5.471 -1.688 7.716 1.00 0.00 N ATOM 841 CA LYS A 59 -4.169 -2.318 7.904 1.00 0.00 C ATOM 842 C LYS A 59 -3.929 -3.401 6.859 1.00 0.00 C ATOM 843 O LYS A 59 -4.781 -4.262 6.640 1.00 0.00 O ATOM 844 CB LYS A 59 -4.067 -2.920 9.308 1.00 0.00 C ATOM 845 CG LYS A 59 -2.740 -3.613 9.580 1.00 0.00 C ATOM 846 CD LYS A 59 -2.689 -4.202 10.983 1.00 0.00 C ATOM 847 CE LYS A 59 -2.786 -3.122 12.048 1.00 0.00 C ATOM 848 NZ LYS A 59 -1.669 -2.143 11.950 1.00 0.00 N ATOM 0 H LYS A 59 -6.218 -2.083 8.288 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.405 -1.550 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.212 -2.129 10.044 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.876 -3.637 9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.586 -4.405 8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.925 -2.900 9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.506 -4.913 11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.760 -4.758 11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.737 -2.599 11.949 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.778 -3.584 13.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.714 -1.484 12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.761 -2.649 11.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.751 -1.611 11.060 1.00 0.00 H new ATOM 862 N ILE A 60 -2.758 -3.360 6.227 1.00 0.00 N ATOM 863 CA ILE A 60 -2.400 -4.347 5.212 1.00 0.00 C ATOM 864 C ILE A 60 -0.890 -4.567 5.183 1.00 0.00 C ATOM 865 O ILE A 60 -0.132 -3.673 4.809 1.00 0.00 O ATOM 866 CB ILE A 60 -2.858 -3.915 3.799 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.378 -3.731 3.752 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.416 -4.942 2.766 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.888 -3.225 2.418 1.00 0.00 C ATOM 0 H ILE A 60 -2.042 -2.655 6.400 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.911 -5.271 5.483 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.392 -2.958 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.858 -4.684 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.675 -3.032 4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.744 -4.627 1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.329 -5.026 2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.857 -5.910 3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.972 -3.119 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.437 -2.257 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.622 -3.934 1.634 1.00 0.00 H new ATOM 881 N VAL A 61 -0.462 -5.765 5.569 1.00 0.00 N ATOM 882 CA VAL A 61 0.957 -6.099 5.572 1.00 0.00 C ATOM 883 C VAL A 61 1.406 -6.525 4.180 1.00 0.00 C ATOM 884 O VAL A 61 0.763 -7.359 3.542 1.00 0.00 O ATOM 885 CB VAL A 61 1.277 -7.224 6.575 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.776 -7.482 6.631 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.736 -6.877 7.953 1.00 0.00 C ATOM 0 H VAL A 61 -1.075 -6.518 5.882 1.00 0.00 H new ATOM 0 HA VAL A 61 1.498 -5.203 5.876 1.00 0.00 H new ATOM 0 HB VAL A 61 0.789 -8.138 6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.981 -8.280 7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.131 -7.778 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.290 -6.573 6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.971 -7.682 8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.194 -5.951 8.301 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.345 -6.749 7.898 1.00 0.00 H new ATOM 897 N CYS A 62 2.504 -5.946 3.707 1.00 0.00 N ATOM 898 CA CYS A 62 3.024 -6.268 2.383 1.00 0.00 C ATOM 899 C CYS A 62 4.401 -5.659 2.170 1.00 0.00 C ATOM 900 O CYS A 62 4.789 -4.715 2.860 1.00 0.00 O ATOM 901 CB CYS A 62 2.066 -5.767 1.299 1.00 0.00 C ATOM 902 SG CYS A 62 1.815 -3.977 1.304 1.00 0.00 S ATOM 0 H CYS A 62 3.050 -5.253 4.219 1.00 0.00 H new ATOM 0 HA CYS A 62 3.112 -7.352 2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.450 -6.066 0.324 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.101 -6.258 1.426 1.00 0.00 H new ATOM 0 HG CYS A 62 2.818 -3.400 1.897 1.00 0.00 H new ATOM 908 N ARG A 63 5.133 -6.200 1.204 1.00 0.00 N ATOM 909 CA ARG A 63 6.465 -5.705 0.888 1.00 0.00 C ATOM 910 C ARG A 63 6.362 -4.507 -0.047 1.00 0.00 C ATOM 911 O ARG A 63 5.732 -4.589 -1.102 1.00 0.00 O ATOM 912 CB ARG A 63 7.293 -6.804 0.215 1.00 0.00 C ATOM 913 CG ARG A 63 7.368 -8.105 1.000 1.00 0.00 C ATOM 914 CD ARG A 63 8.208 -7.963 2.260 1.00 0.00 C ATOM 915 NE ARG A 63 8.383 -9.245 2.940 1.00 0.00 N ATOM 916 CZ ARG A 63 9.139 -9.416 4.021 1.00 0.00 C ATOM 917 NH1 ARG A 63 9.783 -8.388 4.555 1.00 0.00 N ATOM 918 NH2 ARG A 63 9.251 -10.617 4.570 1.00 0.00 N ATOM 0 H ARG A 63 4.826 -6.982 0.626 1.00 0.00 H new ATOM 0 HA ARG A 63 6.955 -5.405 1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.869 -7.011 -0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.305 -6.432 0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.361 -8.424 1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.791 -8.886 0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.184 -7.551 2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.732 -7.254 2.937 1.00 0.00 H new ATOM 0 HE ARG A 63 7.896 -10.058 2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.700 -7.461 4.137 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.362 -8.524 5.384 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.757 -11.412 4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.831 -10.747 5.399 1.00 0.00 H new ATOM 932 N VAL A 64 6.981 -3.396 0.336 1.00 0.00 N ATOM 933 CA VAL A 64 6.945 -2.193 -0.484 1.00 0.00 C ATOM 934 C VAL A 64 7.622 -2.432 -1.833 1.00 0.00 C ATOM 935 O VAL A 64 8.723 -2.974 -1.905 1.00 0.00 O ATOM 936 CB VAL A 64 7.599 -0.994 0.235 1.00 0.00 C ATOM 937 CG1 VAL A 64 8.940 -1.384 0.838 1.00 0.00 C ATOM 938 CG2 VAL A 64 7.763 0.181 -0.717 1.00 0.00 C ATOM 0 H VAL A 64 7.510 -3.304 1.203 1.00 0.00 H new ATOM 0 HA VAL A 64 5.896 -1.951 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 64 6.939 -0.690 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.379 -0.521 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.794 -2.187 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.609 -1.724 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.226 1.015 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.395 -0.115 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.785 0.486 -1.091 1.00 0.00 H new ATOM 1052 N GLY A 72 6.101 7.927 -5.393 1.00 0.00 N ATOM 1053 CA GLY A 72 5.982 6.732 -4.576 1.00 0.00 C ATOM 1054 C GLY A 72 4.670 6.685 -3.818 1.00 0.00 C ATOM 1055 O GLY A 72 4.635 6.343 -2.636 1.00 0.00 O ATOM 0 HA2 GLY A 72 6.065 5.850 -5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.810 6.694 -3.868 1.00 0.00 H new ATOM 1059 N ASP A 73 3.587 7.035 -4.507 1.00 0.00 N ATOM 1060 CA ASP A 73 2.257 7.038 -3.907 1.00 0.00 C ATOM 1061 C ASP A 73 1.721 5.619 -3.740 1.00 0.00 C ATOM 1062 O ASP A 73 1.898 4.770 -4.615 1.00 0.00 O ATOM 1063 CB ASP A 73 1.290 7.861 -4.759 1.00 0.00 C ATOM 1064 CG ASP A 73 1.723 9.307 -4.896 1.00 0.00 C ATOM 1065 OD1 ASP A 73 1.831 9.995 -3.859 1.00 0.00 O ATOM 1066 OD2 ASP A 73 1.954 9.752 -6.040 1.00 0.00 O ATOM 0 H ASP A 73 3.606 7.321 -5.486 1.00 0.00 H new ATOM 0 HA ASP A 73 2.340 7.491 -2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.212 7.413 -5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.296 7.823 -4.313 1.00 0.00 H new ATOM 1071 N ILE A 74 1.058 5.374 -2.614 1.00 0.00 N ATOM 1072 CA ILE A 74 0.485 4.065 -2.326 1.00 0.00 C ATOM 1073 C ILE A 74 -0.899 3.936 -2.957 1.00 0.00 C ATOM 1074 O ILE A 74 -1.700 4.869 -2.906 1.00 0.00 O ATOM 1075 CB ILE A 74 0.385 3.829 -0.806 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.772 3.950 -0.168 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.228 2.466 -0.513 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.761 3.889 1.344 1.00 0.00 C ATOM 0 H ILE A 74 0.904 6.069 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 74 1.145 3.311 -2.754 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.266 4.589 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.407 3.150 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.223 4.892 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.290 2.319 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.228 2.417 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.394 1.685 -0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.780 3.982 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.154 4.705 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.341 2.936 1.667 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.173 2.786 -3.563 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.460 2.560 -4.215 1.00 0.00 C ATOM 1092 C ILE A 75 -3.049 1.204 -3.841 1.00 0.00 C ATOM 1093 O ILE A 75 -2.338 0.201 -3.778 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.328 2.641 -5.750 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.762 4.001 -6.173 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.675 2.391 -6.417 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.647 5.176 -5.806 1.00 0.00 C ATOM 0 H ILE A 75 -0.526 1.999 -3.617 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.129 3.346 -3.865 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.634 1.866 -6.075 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.785 4.137 -5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.606 3.999 -7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.562 2.452 -7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.037 1.399 -6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.391 3.142 -6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.178 6.102 -6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.617 5.066 -6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.783 5.206 -4.725 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.359 1.183 -3.610 1.00 0.00 N ATOM 1110 CA VAL A 76 -5.060 -0.045 -3.257 1.00 0.00 C ATOM 1111 C VAL A 76 -6.362 -0.168 -4.044 1.00 0.00 C ATOM 1112 O VAL A 76 -7.185 0.749 -4.056 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.359 -0.113 -1.747 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -6.151 1.105 -1.305 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -6.104 -1.396 -1.404 1.00 0.00 C ATOM 0 H VAL A 76 -4.957 2.007 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.404 -0.877 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.411 -0.117 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.353 1.039 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.576 2.008 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.094 1.143 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.305 -1.425 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.046 -1.427 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.494 -2.256 -1.682 1.00 0.00 H new ATOM 1125 N THR A 77 -6.534 -1.302 -4.714 1.00 0.00 N ATOM 1126 CA THR A 77 -7.723 -1.546 -5.520 1.00 0.00 C ATOM 1127 C THR A 77 -8.769 -2.355 -4.754 1.00 0.00 C ATOM 1128 O THR A 77 -8.438 -3.311 -4.051 1.00 0.00 O ATOM 1129 CB THR A 77 -7.366 -2.286 -6.825 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.364 -1.555 -7.543 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.596 -2.455 -7.702 1.00 0.00 C ATOM 0 H THR A 77 -5.862 -2.069 -4.714 1.00 0.00 H new ATOM 0 HA THR A 77 -8.144 -0.570 -5.761 1.00 0.00 H new ATOM 0 HB THR A 77 -6.983 -3.273 -6.565 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.141 -2.032 -8.370 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.321 -2.979 -8.617 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.349 -3.032 -7.165 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.001 -1.475 -7.953 1.00 0.00 H new ATOM 1139 N THR A 78 -10.033 -1.967 -4.909 1.00 0.00 N ATOM 1140 CA THR A 78 -11.149 -2.644 -4.247 1.00 0.00 C ATOM 1141 C THR A 78 -12.425 -2.497 -5.069 1.00 0.00 C ATOM 1142 O THR A 78 -12.665 -1.451 -5.665 1.00 0.00 O ATOM 1143 CB THR A 78 -11.406 -2.083 -2.834 1.00 0.00 C ATOM 1144 OG1 THR A 78 -11.633 -0.670 -2.901 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.236 -2.368 -1.903 1.00 0.00 C ATOM 0 H THR A 78 -10.313 -1.179 -5.493 1.00 0.00 H new ATOM 0 HA THR A 78 -10.875 -3.695 -4.162 1.00 0.00 H new ATOM 0 HB THR A 78 -12.291 -2.578 -2.434 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.797 -0.322 -2.000 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.449 -1.959 -0.915 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.086 -3.445 -1.826 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.333 -1.904 -2.300 1.00 0.00 H new ATOM 1153 N LYS A 79 -13.242 -3.544 -5.108 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.486 -3.502 -5.873 1.00 0.00 C ATOM 1155 C LYS A 79 -15.352 -2.312 -5.462 1.00 0.00 C ATOM 1156 O LYS A 79 -16.103 -1.772 -6.274 1.00 0.00 O ATOM 1157 CB LYS A 79 -15.279 -4.806 -5.713 1.00 0.00 C ATOM 1158 CG LYS A 79 -14.587 -6.024 -6.309 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.532 -6.592 -5.373 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.164 -7.223 -4.142 1.00 0.00 C ATOM 1161 NZ LYS A 79 -15.043 -8.373 -4.496 1.00 0.00 N ATOM 0 H LYS A 79 -13.069 -4.425 -4.624 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.215 -3.385 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.457 -4.984 -4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.254 -4.687 -6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.329 -6.792 -6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.122 -5.750 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.938 -7.338 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.850 -5.799 -5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.380 -7.561 -3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.746 -6.472 -3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.878 -9.154 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.039 -8.078 -4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.827 -8.691 -5.462 1.00 0.00 H new ATOM 1175 N SER A 80 -15.247 -1.910 -4.197 1.00 0.00 N ATOM 1176 CA SER A 80 -16.029 -0.787 -3.684 1.00 0.00 C ATOM 1177 C SER A 80 -15.697 0.512 -4.418 1.00 0.00 C ATOM 1178 O SER A 80 -16.580 1.156 -4.984 1.00 0.00 O ATOM 1179 CB SER A 80 -15.783 -0.612 -2.183 1.00 0.00 C ATOM 1180 OG SER A 80 -16.533 0.474 -1.667 1.00 0.00 O ATOM 0 H SER A 80 -14.630 -2.344 -3.510 1.00 0.00 H new ATOM 0 HA SER A 80 -17.081 -1.013 -3.856 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.054 -1.528 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.721 -0.443 -2.002 1.00 0.00 H new ATOM 0 HG SER A 80 -16.360 0.564 -0.707 1.00 0.00 H new ATOM 1186 N GLY A 81 -14.422 0.895 -4.400 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.005 2.121 -5.065 1.00 0.00 C ATOM 1188 C GLY A 81 -13.159 1.861 -6.295 1.00 0.00 C ATOM 1189 O GLY A 81 -13.374 2.467 -7.346 1.00 0.00 O ATOM 0 H GLY A 81 -13.672 0.381 -3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.888 2.693 -5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.440 2.736 -4.364 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.196 0.958 -6.162 1.00 0.00 N ATOM 1194 CA GLY A 82 -11.321 0.620 -7.270 1.00 0.00 C ATOM 1195 C GLY A 82 -10.280 1.684 -7.543 1.00 0.00 C ATOM 1196 O GLY A 82 -10.616 2.835 -7.829 1.00 0.00 O ATOM 0 H GLY A 82 -12.004 0.449 -5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.821 -0.325 -7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.921 0.467 -8.167 1.00 0.00 H new ATOM 1200 N LYS A 83 -9.011 1.291 -7.461 1.00 0.00 N ATOM 1201 CA LYS A 83 -7.899 2.200 -7.704 1.00 0.00 C ATOM 1202 C LYS A 83 -8.085 3.511 -6.941 1.00 0.00 C ATOM 1203 O LYS A 83 -8.255 4.572 -7.542 1.00 0.00 O ATOM 1204 CB LYS A 83 -7.750 2.477 -9.202 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.498 3.265 -9.549 1.00 0.00 C ATOM 1206 CD LYS A 83 -6.395 3.526 -11.042 1.00 0.00 C ATOM 1207 CE LYS A 83 -5.132 4.300 -11.380 1.00 0.00 C ATOM 1208 NZ LYS A 83 -5.097 5.628 -10.707 1.00 0.00 N ATOM 0 H LYS A 83 -8.728 0.340 -7.226 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.989 1.721 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.734 1.529 -9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.624 3.026 -9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.505 4.214 -9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.618 2.716 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.399 2.578 -11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.268 4.086 -11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.259 3.719 -11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.069 4.438 -12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.344 6.210 -11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.013 6.105 -10.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.910 5.498 -9.692 1.00 0.00 H new ATOM 1222 N GLY A 84 -8.064 3.426 -5.613 1.00 0.00 N ATOM 1223 CA GLY A 84 -8.240 4.610 -4.789 1.00 0.00 C ATOM 1224 C GLY A 84 -7.113 5.615 -4.951 1.00 0.00 C ATOM 1225 O GLY A 84 -6.641 5.858 -6.062 1.00 0.00 O ATOM 0 H GLY A 84 -7.928 2.559 -5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.186 5.088 -5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.307 4.312 -3.743 1.00 0.00 H new ATOM 1229 N THR A 85 -6.682 6.201 -3.838 1.00 0.00 N ATOM 1230 CA THR A 85 -5.606 7.190 -3.853 1.00 0.00 C ATOM 1231 C THR A 85 -4.836 7.177 -2.534 1.00 0.00 C ATOM 1232 O THR A 85 -5.003 6.270 -1.718 1.00 0.00 O ATOM 1233 CB THR A 85 -6.149 8.613 -4.096 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.132 8.938 -3.108 1.00 0.00 O ATOM 1235 CG2 THR A 85 -6.761 8.743 -5.485 1.00 0.00 C ATOM 0 H THR A 85 -7.062 6.008 -2.911 1.00 0.00 H new ATOM 0 HA THR A 85 -4.939 6.919 -4.671 1.00 0.00 H new ATOM 0 HB THR A 85 -5.311 9.307 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.470 9.844 -3.269 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.134 9.758 -5.625 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.003 8.528 -6.238 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.584 8.036 -5.587 1.00 0.00 H new ATOM 1243 N SER A 86 -3.993 8.188 -2.333 1.00 0.00 N ATOM 1244 CA SER A 86 -3.197 8.292 -1.113 1.00 0.00 C ATOM 1245 C SER A 86 -2.527 9.657 -1.012 1.00 0.00 C ATOM 1246 O SER A 86 -1.878 10.113 -1.954 1.00 0.00 O ATOM 1247 CB SER A 86 -2.133 7.195 -1.080 1.00 0.00 C ATOM 1248 OG SER A 86 -1.235 7.327 -2.169 1.00 0.00 O ATOM 0 H SER A 86 -3.844 8.946 -2.999 1.00 0.00 H new ATOM 0 HA SER A 86 -3.869 8.171 -0.263 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.582 7.246 -0.141 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.613 6.217 -1.116 1.00 0.00 H new ATOM 0 HG SER A 86 -1.353 6.573 -2.783 1.00 0.00 H new ATOM 1254 N THR A 87 -2.685 10.305 0.139 1.00 0.00 N ATOM 1255 CA THR A 87 -2.092 11.617 0.365 1.00 0.00 C ATOM 1256 C THR A 87 -0.730 11.495 1.042 1.00 0.00 C ATOM 1257 O THR A 87 -0.310 12.390 1.775 1.00 0.00 O ATOM 1258 CB THR A 87 -3.007 12.500 1.235 1.00 0.00 C ATOM 1259 OG1 THR A 87 -3.171 11.910 2.531 1.00 0.00 O ATOM 1260 CG2 THR A 87 -4.367 12.677 0.580 1.00 0.00 C ATOM 0 H THR A 87 -3.219 9.942 0.929 1.00 0.00 H new ATOM 0 HA THR A 87 -1.968 12.083 -0.612 1.00 0.00 H new ATOM 0 HB THR A 87 -2.539 13.479 1.338 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.752 12.478 3.078 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.996 13.304 1.212 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.243 13.152 -0.393 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.838 11.703 0.451 1.00 0.00 H new ATOM 1268 N VAL A 88 -0.043 10.382 0.785 1.00 0.00 N ATOM 1269 CA VAL A 88 1.276 10.135 1.367 1.00 0.00 C ATOM 1270 C VAL A 88 2.094 9.186 0.497 1.00 0.00 C ATOM 1271 O VAL A 88 1.566 8.218 -0.053 1.00 0.00 O ATOM 1272 CB VAL A 88 1.178 9.531 2.785 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.619 10.540 3.775 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.328 8.269 2.769 1.00 0.00 C ATOM 0 H VAL A 88 -0.379 9.636 0.176 1.00 0.00 H new ATOM 0 HA VAL A 88 1.769 11.105 1.425 1.00 0.00 H new ATOM 0 HB VAL A 88 2.185 9.268 3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.562 10.086 4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.272 11.412 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.378 10.847 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.270 7.857 3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.675 8.510 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.780 7.535 2.102 1.00 0.00 H new ATOM 1284 N SER A 89 3.387 9.469 0.382 1.00 0.00 N ATOM 1285 CA SER A 89 4.286 8.641 -0.414 1.00 0.00 C ATOM 1286 C SER A 89 5.404 8.076 0.456 1.00 0.00 C ATOM 1287 O SER A 89 5.921 8.758 1.340 1.00 0.00 O ATOM 1288 CB SER A 89 4.875 9.454 -1.568 1.00 0.00 C ATOM 1289 OG SER A 89 5.599 10.573 -1.088 1.00 0.00 O ATOM 0 H SER A 89 3.837 10.267 0.831 1.00 0.00 H new ATOM 0 HA SER A 89 3.714 7.810 -0.826 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.532 8.821 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.074 9.791 -2.226 1.00 0.00 H new ATOM 0 HG SER A 89 5.966 11.074 -1.846 1.00 0.00 H new ATOM 1295 N PHE A 90 5.761 6.819 0.209 1.00 0.00 N ATOM 1296 CA PHE A 90 6.808 6.157 0.980 1.00 0.00 C ATOM 1297 C PHE A 90 8.184 6.373 0.360 1.00 0.00 C ATOM 1298 O PHE A 90 8.381 6.147 -0.834 1.00 0.00 O ATOM 1299 CB PHE A 90 6.518 4.658 1.081 1.00 0.00 C ATOM 1300 CG PHE A 90 7.537 3.906 1.888 1.00 0.00 C ATOM 1301 CD1 PHE A 90 7.778 4.240 3.210 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.251 2.863 1.323 1.00 0.00 C ATOM 1303 CE1 PHE A 90 8.714 3.548 3.952 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.189 2.167 2.063 1.00 0.00 C ATOM 1305 CZ PHE A 90 9.420 2.510 3.379 1.00 0.00 C ATOM 0 H PHE A 90 5.341 6.239 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 90 6.813 6.598 1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.534 4.515 1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.476 4.235 0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.228 5.050 3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.073 2.590 0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.894 3.819 4.982 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.740 1.356 1.611 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.152 1.968 3.959 1.00 0.00 H new ATOM 1315 N LYS A 91 9.140 6.796 1.184 1.00 0.00 N ATOM 1316 CA LYS A 91 10.504 7.022 0.720 1.00 0.00 C ATOM 1317 C LYS A 91 11.318 5.735 0.826 1.00 0.00 C ATOM 1318 O LYS A 91 11.418 5.141 1.899 1.00 0.00 O ATOM 1319 CB LYS A 91 11.169 8.132 1.537 1.00 0.00 C ATOM 1320 CG LYS A 91 12.590 8.441 1.099 1.00 0.00 C ATOM 1321 CD LYS A 91 13.212 9.536 1.949 1.00 0.00 C ATOM 1322 CE LYS A 91 14.643 9.822 1.525 1.00 0.00 C ATOM 1323 NZ LYS A 91 15.268 10.888 2.356 1.00 0.00 N ATOM 0 H LYS A 91 8.994 6.989 2.175 1.00 0.00 H new ATOM 0 HA LYS A 91 10.467 7.331 -0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.569 9.038 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.176 7.844 2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.197 7.538 1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.590 8.747 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.617 10.446 1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.194 9.239 2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.233 8.909 1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.658 10.123 0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.243 11.052 2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.720 11.767 2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.278 10.590 3.352 1.00 0.00 H new ATOM 1337 N LEU A 92 11.890 5.303 -0.294 1.00 0.00 N ATOM 1338 CA LEU A 92 12.684 4.079 -0.321 1.00 0.00 C ATOM 1339 C LEU A 92 14.146 4.340 0.021 1.00 0.00 C ATOM 1340 O LEU A 92 14.782 5.231 -0.544 1.00 0.00 O ATOM 1341 CB LEU A 92 12.580 3.410 -1.691 1.00 0.00 C ATOM 1342 CG LEU A 92 11.192 2.878 -2.046 1.00 0.00 C ATOM 1343 CD1 LEU A 92 11.189 2.295 -3.447 1.00 0.00 C ATOM 1344 CD2 LEU A 92 10.751 1.831 -1.033 1.00 0.00 C ATOM 0 H LEU A 92 11.819 5.781 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 92 12.280 3.412 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.883 4.128 -2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.290 2.584 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 92 10.486 3.708 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.193 1.921 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.466 3.068 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.907 1.476 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.761 1.462 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.460 1.003 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.716 2.278 -0.039 1.00 0.00 H new ATOM 1356 N LEU A 93 14.675 3.542 0.945 1.00 0.00 N ATOM 1357 CA LEU A 93 16.066 3.664 1.366 1.00 0.00 C ATOM 1358 C LEU A 93 16.974 2.813 0.483 1.00 0.00 C ATOM 1359 O LEU A 93 16.616 1.697 0.106 1.00 0.00 O ATOM 1360 CB LEU A 93 16.219 3.240 2.828 1.00 0.00 C ATOM 1361 CG LEU A 93 15.381 4.041 3.827 1.00 0.00 C ATOM 1362 CD1 LEU A 93 15.613 3.535 5.241 1.00 0.00 C ATOM 1363 CD2 LEU A 93 15.709 5.523 3.728 1.00 0.00 C ATOM 0 H LEU A 93 14.158 2.801 1.418 1.00 0.00 H new ATOM 0 HA LEU A 93 16.360 4.709 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.951 2.187 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.269 3.326 3.107 1.00 0.00 H new ATOM 0 HG LEU A 93 14.327 3.905 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.010 4.116 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.329 2.484 5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 93 16.667 3.642 5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.104 6.078 4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.765 5.677 3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.493 5.877 2.720 1.00 0.00 H new ATOM 1375 N LYS A 94 18.148 3.343 0.158 1.00 0.00 N ATOM 1376 CA LYS A 94 19.104 2.622 -0.676 1.00 0.00 C ATOM 1377 C LYS A 94 19.574 1.348 0.022 1.00 0.00 C ATOM 1378 O LYS A 94 20.008 1.390 1.173 1.00 0.00 O ATOM 1379 CB LYS A 94 20.306 3.514 -1.000 1.00 0.00 C ATOM 1380 CG LYS A 94 21.371 2.820 -1.837 1.00 0.00 C ATOM 1381 CD LYS A 94 22.549 3.740 -2.127 1.00 0.00 C ATOM 1382 CE LYS A 94 23.245 4.183 -0.848 1.00 0.00 C ATOM 1383 NZ LYS A 94 24.387 5.096 -1.126 1.00 0.00 N ATOM 0 H LYS A 94 18.460 4.266 0.458 1.00 0.00 H new ATOM 0 HA LYS A 94 18.606 2.347 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.958 4.400 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.755 3.857 -0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.724 1.932 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.933 2.483 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.263 3.226 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 94 22.201 4.616 -2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.528 4.686 -0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.604 3.307 -0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 24.835 5.375 -0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 25.084 4.608 -1.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 24.041 5.944 -1.619 1.00 0.00 H new ATOM 1397 N PRO A 95 19.491 0.191 -0.662 1.00 0.00 N ATOM 1398 CA PRO A 95 19.910 -1.095 -0.091 1.00 0.00 C ATOM 1399 C PRO A 95 21.347 -1.071 0.414 1.00 0.00 C ATOM 1400 O PRO A 95 22.265 -0.707 -0.321 1.00 0.00 O ATOM 1401 CB PRO A 95 19.787 -2.067 -1.266 1.00 0.00 C ATOM 1402 CG PRO A 95 18.776 -1.446 -2.165 1.00 0.00 C ATOM 1403 CD PRO A 95 18.977 0.038 -2.037 1.00 0.00 C ATOM 0 HA PRO A 95 19.304 -1.364 0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.742 -2.197 -1.774 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.467 -3.054 -0.932 1.00 0.00 H new ATOM 0 HG2 PRO A 95 18.915 -1.773 -3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.765 -1.731 -1.874 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.685 0.414 -2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.045 0.585 -2.182 1.00 0.00 H new