USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 621 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 Single : A 14 SER OG : rot 180:sc= -1.25! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 6:sc= 0.00678! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -28:sc= -3.71! USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.57! USER MOD Single : A 31 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.23) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0.555 (180deg=0.554) USER MOD Single : A 35 THR OG1 : rot 164:sc= -2.72! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -139:sc= -0.0968 (180deg=-1.14) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -49:sc= 0.243 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc=-0.00999 (180deg=-0.224) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.79 K(o=-1.8,f=-2.5!) USER MOD Single : A 56 THR OG1 : rot 75:sc= -4.36! USER MOD Single : A 58 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.064) USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= -1.33! (180deg=-1.45!) USER MOD Single : A 78 LYS NZ :NH3+ -107:sc= -0.328 (180deg=-1.78!) USER MOD Single : A 82 GLN : amide:sc= -5.25! C(o=-5.3!,f=-9.4!) USER MOD Single : A 87 GLN : amide:sc= -5.87! C(o=-5.9!,f=-21!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N VAL A 7 -2.269 -11.481 5.056 1.00 0.00 N ATOM 100 CA VAL A 7 -2.104 -10.623 3.848 1.00 0.00 C ATOM 101 C VAL A 7 -2.856 -9.295 4.029 1.00 0.00 C ATOM 102 O VAL A 7 -2.552 -8.519 4.910 1.00 0.00 O ATOM 103 CB VAL A 7 -2.725 -11.421 2.710 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.333 -10.788 1.376 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.238 -12.859 2.763 1.00 0.00 C ATOM 0 HA VAL A 7 -1.058 -10.379 3.661 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.810 -11.412 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.776 -11.357 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.695 -9.760 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.248 -10.794 1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.686 -13.425 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.152 -12.879 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.526 -13.306 3.715 1.00 0.00 H new ATOM 115 N ILE A 8 -3.834 -9.029 3.196 1.00 0.00 N ATOM 116 CA ILE A 8 -4.603 -7.761 3.309 1.00 0.00 C ATOM 117 C ILE A 8 -5.341 -7.712 4.653 1.00 0.00 C ATOM 118 O ILE A 8 -5.623 -8.730 5.252 1.00 0.00 O ATOM 119 CB ILE A 8 -5.606 -7.820 2.151 1.00 0.00 C ATOM 120 CG1 ILE A 8 -4.897 -8.192 0.849 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.264 -6.453 1.970 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.705 -9.283 0.146 1.00 0.00 C ATOM 0 H ILE A 8 -4.130 -9.645 2.439 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.967 -6.877 3.263 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.357 -8.574 2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.804 -7.317 0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.886 -8.544 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.976 -6.498 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.786 -6.176 2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.500 -5.708 1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.211 -9.559 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.775 -10.158 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.706 -8.911 -0.071 1.00 0.00 H new ATOM 134 N LEU A 9 -5.665 -6.538 5.128 1.00 0.00 N ATOM 135 CA LEU A 9 -6.395 -6.439 6.428 1.00 0.00 C ATOM 136 C LEU A 9 -7.391 -5.273 6.400 1.00 0.00 C ATOM 137 O LEU A 9 -8.569 -5.465 6.172 1.00 0.00 O ATOM 138 CB LEU A 9 -5.325 -6.221 7.512 1.00 0.00 C ATOM 139 CG LEU A 9 -4.167 -5.367 6.981 1.00 0.00 C ATOM 140 CD1 LEU A 9 -3.943 -4.175 7.912 1.00 0.00 C ATOM 141 CD2 LEU A 9 -2.894 -6.214 6.937 1.00 0.00 C ATOM 0 H LEU A 9 -5.458 -5.648 4.676 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.973 -7.342 6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.774 -5.733 8.377 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.945 -7.185 7.851 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.409 -5.009 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.120 -3.568 7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.849 -3.571 7.954 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.700 -4.535 8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.068 -5.611 6.560 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.657 -6.567 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.048 -7.069 6.279 1.00 0.00 H new ATOM 153 N ALA A 10 -6.939 -4.071 6.633 1.00 0.00 N ATOM 154 CA ALA A 10 -7.875 -2.909 6.621 1.00 0.00 C ATOM 155 C ALA A 10 -7.643 -2.044 5.379 1.00 0.00 C ATOM 156 O ALA A 10 -6.527 -1.897 4.923 1.00 0.00 O ATOM 157 CB ALA A 10 -7.548 -2.123 7.891 1.00 0.00 C ATOM 0 H ALA A 10 -5.965 -3.843 6.831 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.918 -3.224 6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.197 -1.249 7.955 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.707 -2.758 8.763 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.507 -1.801 7.862 1.00 0.00 H new ATOM 163 N PRO A 11 -8.716 -1.496 4.876 1.00 0.00 N ATOM 164 CA PRO A 11 -8.643 -0.630 3.674 1.00 0.00 C ATOM 165 C PRO A 11 -8.052 0.737 4.031 1.00 0.00 C ATOM 166 O PRO A 11 -7.885 1.068 5.189 1.00 0.00 O ATOM 167 CB PRO A 11 -10.101 -0.494 3.244 1.00 0.00 C ATOM 168 CG PRO A 11 -10.899 -0.727 4.487 1.00 0.00 C ATOM 169 CD PRO A 11 -10.088 -1.634 5.377 1.00 0.00 C ATOM 0 HA PRO A 11 -8.006 -1.040 2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.299 0.494 2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.353 -1.221 2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.111 0.216 4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.860 -1.183 4.247 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.162 -1.336 6.423 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.433 -2.666 5.314 1.00 0.00 H new ATOM 177 N VAL A 12 -7.735 1.536 3.047 1.00 0.00 N ATOM 178 CA VAL A 12 -7.159 2.881 3.337 1.00 0.00 C ATOM 179 C VAL A 12 -8.118 3.977 2.867 1.00 0.00 C ATOM 180 O VAL A 12 -8.666 3.910 1.785 1.00 0.00 O ATOM 181 CB VAL A 12 -5.849 2.945 2.542 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.113 1.606 2.644 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.152 3.246 1.071 1.00 0.00 C ATOM 0 H VAL A 12 -7.850 1.316 2.058 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.993 3.031 4.404 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.222 3.735 2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.183 1.658 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.889 1.392 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.742 0.813 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.219 3.291 0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.785 2.459 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.668 4.203 0.994 1.00 0.00 H new ATOM 193 N LEU A 13 -8.321 4.987 3.663 1.00 0.00 N ATOM 194 CA LEU A 13 -9.240 6.079 3.241 1.00 0.00 C ATOM 195 C LEU A 13 -8.442 7.301 2.781 1.00 0.00 C ATOM 196 O LEU A 13 -7.815 7.981 3.569 1.00 0.00 O ATOM 197 CB LEU A 13 -10.070 6.409 4.480 1.00 0.00 C ATOM 198 CG LEU A 13 -11.073 5.282 4.742 1.00 0.00 C ATOM 199 CD1 LEU A 13 -11.791 4.920 3.440 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.329 4.054 5.272 1.00 0.00 C ATOM 0 H LEU A 13 -7.894 5.104 4.582 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.869 5.782 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.417 6.537 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.597 7.352 4.336 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.806 5.612 5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.504 4.118 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.320 5.794 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.061 4.590 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.041 3.250 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.597 3.726 4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.819 4.310 6.200 1.00 0.00 H new ATOM 212 N SER A 14 -8.468 7.583 1.510 1.00 0.00 N ATOM 213 CA SER A 14 -7.719 8.760 0.986 1.00 0.00 C ATOM 214 C SER A 14 -8.220 9.102 -0.419 1.00 0.00 C ATOM 215 O SER A 14 -8.584 8.233 -1.184 1.00 0.00 O ATOM 216 CB SER A 14 -6.256 8.319 0.942 1.00 0.00 C ATOM 217 OG SER A 14 -6.086 7.167 1.759 1.00 0.00 O ATOM 0 H SER A 14 -8.978 7.047 0.807 1.00 0.00 H new ATOM 0 HA SER A 14 -7.851 9.648 1.604 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.962 8.098 -0.084 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.611 9.125 1.292 1.00 0.00 H new ATOM 0 HG SER A 14 -5.149 6.882 1.731 1.00 0.00 H new ATOM 223 N GLU A 15 -8.245 10.360 -0.765 1.00 0.00 N ATOM 224 CA GLU A 15 -8.728 10.743 -2.122 1.00 0.00 C ATOM 225 C GLU A 15 -8.146 9.793 -3.172 1.00 0.00 C ATOM 226 O GLU A 15 -8.779 9.483 -4.162 1.00 0.00 O ATOM 227 CB GLU A 15 -8.214 12.167 -2.339 1.00 0.00 C ATOM 228 CG GLU A 15 -9.148 13.159 -1.644 1.00 0.00 C ATOM 229 CD GLU A 15 -10.023 13.855 -2.687 1.00 0.00 C ATOM 230 OE1 GLU A 15 -9.495 14.668 -3.427 1.00 0.00 O ATOM 231 OE2 GLU A 15 -11.208 13.562 -2.730 1.00 0.00 O ATOM 0 H GLU A 15 -7.953 11.136 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.813 10.687 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.203 12.264 -1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.161 12.387 -3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.773 12.639 -0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.566 13.897 -1.092 1.00 0.00 H new ATOM 238 N LYS A 16 -6.946 9.323 -2.961 1.00 0.00 N ATOM 239 CA LYS A 16 -6.326 8.389 -3.941 1.00 0.00 C ATOM 240 C LYS A 16 -7.054 7.043 -3.915 1.00 0.00 C ATOM 241 O LYS A 16 -7.103 6.332 -4.900 1.00 0.00 O ATOM 242 CB LYS A 16 -4.880 8.228 -3.476 1.00 0.00 C ATOM 243 CG LYS A 16 -3.984 7.936 -4.682 1.00 0.00 C ATOM 244 CD LYS A 16 -2.791 8.895 -4.676 1.00 0.00 C ATOM 245 CE LYS A 16 -1.517 8.127 -5.037 1.00 0.00 C ATOM 246 NZ LYS A 16 -0.943 8.861 -6.198 1.00 0.00 N ATOM 0 H LYS A 16 -6.368 9.547 -2.151 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.383 8.762 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.546 9.135 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.808 7.417 -2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.635 6.904 -4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.551 8.050 -5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.956 9.702 -5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.685 9.355 -3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.819 8.104 -4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.740 7.092 -5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.065 8.394 -6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.627 8.861 -6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.735 9.841 -5.920 1.00 0.00 H new ATOM 260 N ALA A 17 -7.625 6.691 -2.796 1.00 0.00 N ATOM 261 CA ALA A 17 -8.355 5.397 -2.702 1.00 0.00 C ATOM 262 C ALA A 17 -9.832 5.610 -3.035 1.00 0.00 C ATOM 263 O ALA A 17 -10.677 4.804 -2.699 1.00 0.00 O ATOM 264 CB ALA A 17 -8.195 4.949 -1.250 1.00 0.00 C ATOM 0 H ALA A 17 -7.617 7.246 -1.940 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.969 4.653 -3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.709 3.999 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.136 4.828 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.626 5.700 -0.588 1.00 0.00 H new ATOM 270 N TYR A 18 -10.144 6.690 -3.695 1.00 0.00 N ATOM 271 CA TYR A 18 -11.565 6.960 -4.056 1.00 0.00 C ATOM 272 C TYR A 18 -11.644 7.505 -5.484 1.00 0.00 C ATOM 273 O TYR A 18 -12.496 7.118 -6.259 1.00 0.00 O ATOM 274 CB TYR A 18 -12.043 7.999 -3.041 1.00 0.00 C ATOM 275 CG TYR A 18 -12.770 7.294 -1.921 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.916 6.541 -2.200 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.298 7.390 -0.605 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.591 5.883 -1.165 1.00 0.00 C ATOM 279 CE2 TYR A 18 -12.974 6.731 0.431 1.00 0.00 C ATOM 280 CZ TYR A 18 -14.120 5.978 0.150 1.00 0.00 C ATOM 281 OH TYR A 18 -14.786 5.329 1.171 1.00 0.00 O ATOM 0 H TYR A 18 -9.477 7.398 -4.001 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.183 6.063 -4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.194 8.558 -2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.703 8.720 -3.523 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.280 6.467 -3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.414 7.971 -0.389 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.475 5.302 -1.381 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.611 6.804 1.445 1.00 0.00 H new ATOM 0 HH TYR A 18 -15.497 4.770 0.794 1.00 0.00 H new ATOM 291 N ALA A 19 -10.751 8.386 -5.846 1.00 0.00 N ATOM 292 CA ALA A 19 -10.771 8.933 -7.234 1.00 0.00 C ATOM 293 C ALA A 19 -10.494 7.796 -8.218 1.00 0.00 C ATOM 294 O ALA A 19 -11.050 7.737 -9.296 1.00 0.00 O ATOM 295 CB ALA A 19 -9.648 9.971 -7.274 1.00 0.00 C ATOM 0 H ALA A 19 -10.012 8.749 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.729 9.378 -7.503 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.601 10.418 -8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.844 10.748 -6.535 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.697 9.488 -7.048 1.00 0.00 H new ATOM 301 N GLY A 20 -9.658 6.874 -7.828 1.00 0.00 N ATOM 302 CA GLY A 20 -9.354 5.708 -8.702 1.00 0.00 C ATOM 303 C GLY A 20 -10.280 4.577 -8.276 1.00 0.00 C ATOM 304 O GLY A 20 -10.703 3.760 -9.069 1.00 0.00 O ATOM 0 H GLY A 20 -9.169 6.879 -6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.512 5.961 -9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.310 5.411 -8.599 1.00 0.00 H new ATOM 308 N PHE A 21 -10.614 4.556 -7.017 1.00 0.00 N ATOM 309 CA PHE A 21 -11.538 3.519 -6.494 1.00 0.00 C ATOM 310 C PHE A 21 -12.952 3.820 -6.994 1.00 0.00 C ATOM 311 O PHE A 21 -13.857 3.021 -6.863 1.00 0.00 O ATOM 312 CB PHE A 21 -11.425 3.670 -4.971 1.00 0.00 C ATOM 313 CG PHE A 21 -12.750 3.405 -4.287 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.790 4.340 -4.380 1.00 0.00 C ATOM 315 CD2 PHE A 21 -12.931 2.232 -3.546 1.00 0.00 C ATOM 316 CE1 PHE A 21 -15.009 4.099 -3.738 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.151 1.992 -2.902 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.189 2.925 -2.997 1.00 0.00 C ATOM 0 H PHE A 21 -10.280 5.223 -6.321 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.305 2.503 -6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.673 2.978 -4.591 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.084 4.676 -4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.650 5.248 -4.948 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.130 1.512 -3.471 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.811 4.818 -3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.291 1.086 -2.331 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.129 2.740 -2.499 1.00 0.00 H new ATOM 328 N ALA A 22 -13.139 4.978 -7.561 1.00 0.00 N ATOM 329 CA ALA A 22 -14.476 5.357 -8.066 1.00 0.00 C ATOM 330 C ALA A 22 -14.866 4.468 -9.249 1.00 0.00 C ATOM 331 O ALA A 22 -15.981 4.507 -9.729 1.00 0.00 O ATOM 332 CB ALA A 22 -14.318 6.810 -8.509 1.00 0.00 C ATOM 0 H ALA A 22 -12.412 5.681 -7.695 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.258 5.238 -7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.267 7.176 -8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.017 7.420 -7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.557 6.873 -9.287 1.00 0.00 H new ATOM 338 N GLU A 23 -13.947 3.672 -9.726 1.00 0.00 N ATOM 339 CA GLU A 23 -14.253 2.782 -10.883 1.00 0.00 C ATOM 340 C GLU A 23 -14.348 1.324 -10.424 1.00 0.00 C ATOM 341 O GLU A 23 -14.619 0.434 -11.205 1.00 0.00 O ATOM 342 CB GLU A 23 -13.070 2.962 -11.834 1.00 0.00 C ATOM 343 CG GLU A 23 -13.585 3.337 -13.225 1.00 0.00 C ATOM 344 CD GLU A 23 -14.150 2.093 -13.913 1.00 0.00 C ATOM 345 OE1 GLU A 23 -15.189 1.620 -13.481 1.00 0.00 O ATOM 346 OE2 GLU A 23 -13.536 1.634 -14.862 1.00 0.00 O ATOM 0 H GLU A 23 -12.996 3.600 -9.364 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.205 3.029 -11.353 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.404 3.739 -11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.488 2.042 -11.886 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.356 4.103 -13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.777 3.760 -13.822 1.00 0.00 H new ATOM 353 N GLY A 24 -14.120 1.073 -9.165 1.00 0.00 N ATOM 354 CA GLY A 24 -14.189 -0.316 -8.660 1.00 0.00 C ATOM 355 C GLY A 24 -12.830 -0.720 -8.085 1.00 0.00 C ATOM 356 O GLY A 24 -12.627 -1.845 -7.676 1.00 0.00 O ATOM 0 H GLY A 24 -13.888 1.777 -8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.959 -0.397 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.470 -0.993 -9.466 1.00 0.00 H new ATOM 360 N LYS A 25 -11.897 0.192 -8.049 1.00 0.00 N ATOM 361 CA LYS A 25 -10.548 -0.132 -7.499 1.00 0.00 C ATOM 362 C LYS A 25 -10.560 0.019 -5.973 1.00 0.00 C ATOM 363 O LYS A 25 -11.052 0.995 -5.444 1.00 0.00 O ATOM 364 CB LYS A 25 -9.614 0.896 -8.143 1.00 0.00 C ATOM 365 CG LYS A 25 -9.394 0.529 -9.611 1.00 0.00 C ATOM 366 CD LYS A 25 -8.051 1.087 -10.084 1.00 0.00 C ATOM 367 CE LYS A 25 -7.493 0.200 -11.198 1.00 0.00 C ATOM 368 NZ LYS A 25 -6.022 0.427 -11.169 1.00 0.00 N ATOM 0 H LYS A 25 -12.010 1.151 -8.378 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.236 -1.154 -7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.045 1.894 -8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.661 0.919 -7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.412 -0.554 -9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.202 0.932 -10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.176 2.108 -10.446 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.349 1.128 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.734 -0.849 -11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.915 0.469 -12.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.567 -0.148 -11.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.822 1.433 -11.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.647 0.155 -10.238 1.00 0.00 H new ATOM 382 N TYR A 26 -10.040 -0.938 -5.254 1.00 0.00 N ATOM 383 CA TYR A 26 -10.054 -0.820 -3.768 1.00 0.00 C ATOM 384 C TYR A 26 -8.655 -1.007 -3.169 1.00 0.00 C ATOM 385 O TYR A 26 -8.104 -2.091 -3.167 1.00 0.00 O ATOM 386 CB TYR A 26 -10.996 -1.925 -3.291 1.00 0.00 C ATOM 387 CG TYR A 26 -12.333 -1.792 -3.983 1.00 0.00 C ATOM 388 CD1 TYR A 26 -13.204 -0.756 -3.627 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.702 -2.707 -4.975 1.00 0.00 C ATOM 390 CE1 TYR A 26 -14.445 -0.634 -4.265 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.943 -2.585 -5.611 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.814 -1.549 -5.258 1.00 0.00 C ATOM 393 OH TYR A 26 -16.036 -1.431 -5.884 1.00 0.00 O ATOM 0 H TYR A 26 -9.611 -1.786 -5.625 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.381 0.171 -3.453 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.562 -2.902 -3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -11.127 -1.862 -2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.919 -0.051 -2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.030 -3.507 -5.250 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -15.117 0.166 -3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.229 -3.292 -6.376 1.00 0.00 H new ATOM 0 HH TYR A 26 -16.675 -1.003 -5.276 1.00 0.00 H new ATOM 403 N THR A 27 -8.099 0.048 -2.637 1.00 0.00 N ATOM 404 CA THR A 27 -6.753 -0.025 -2.010 1.00 0.00 C ATOM 405 C THR A 27 -6.863 -0.623 -0.609 1.00 0.00 C ATOM 406 O THR A 27 -7.659 -0.195 0.202 1.00 0.00 O ATOM 407 CB THR A 27 -6.275 1.426 -1.938 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.533 2.069 -3.179 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.774 1.457 -1.647 1.00 0.00 C ATOM 0 H THR A 27 -8.530 0.972 -2.611 1.00 0.00 H new ATOM 0 HA THR A 27 -6.063 -0.654 -2.573 1.00 0.00 H new ATOM 0 HB THR A 27 -6.807 1.946 -1.141 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.229 3.000 -3.135 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.435 2.492 -1.596 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.578 0.963 -0.695 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.238 0.938 -2.442 1.00 0.00 H new ATOM 417 N PHE A 28 -6.071 -1.613 -0.326 1.00 0.00 N ATOM 418 CA PHE A 28 -6.119 -2.251 1.014 1.00 0.00 C ATOM 419 C PHE A 28 -4.733 -2.230 1.648 1.00 0.00 C ATOM 420 O PHE A 28 -3.747 -2.033 0.977 1.00 0.00 O ATOM 421 CB PHE A 28 -6.541 -3.692 0.756 1.00 0.00 C ATOM 422 CG PHE A 28 -7.850 -3.729 0.015 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.838 -2.777 0.285 1.00 0.00 C ATOM 424 CD2 PHE A 28 -8.078 -4.726 -0.940 1.00 0.00 C ATOM 425 CE1 PHE A 28 -10.057 -2.822 -0.399 1.00 0.00 C ATOM 426 CE2 PHE A 28 -9.297 -4.770 -1.627 1.00 0.00 C ATOM 427 CZ PHE A 28 -10.286 -3.819 -1.355 1.00 0.00 C ATOM 0 H PHE A 28 -5.387 -2.011 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.802 -1.735 1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.773 -4.205 0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.636 -4.225 1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.660 -2.007 1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.314 -5.461 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.821 -2.088 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.474 -5.537 -2.366 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.227 -3.854 -1.883 1.00 0.00 H new ATOM 437 N TRP A 29 -4.642 -2.465 2.924 1.00 0.00 N ATOM 438 CA TRP A 29 -3.308 -2.492 3.572 1.00 0.00 C ATOM 439 C TRP A 29 -2.854 -3.940 3.617 1.00 0.00 C ATOM 440 O TRP A 29 -3.547 -4.796 4.124 1.00 0.00 O ATOM 441 CB TRP A 29 -3.523 -1.940 4.981 1.00 0.00 C ATOM 442 CG TRP A 29 -3.434 -0.448 4.949 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.311 0.395 5.542 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.432 0.391 4.304 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.913 1.697 5.299 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.760 1.746 4.541 1.00 0.00 C ATOM 447 CE3 TRP A 29 -1.282 0.110 3.544 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.976 2.787 4.041 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.490 1.155 3.038 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.837 2.491 3.286 1.00 0.00 C ATOM 0 H TRP A 29 -5.433 -2.639 3.544 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.553 -1.907 3.048 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.497 -2.249 5.360 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.773 -2.345 5.661 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.180 0.099 6.112 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.410 2.520 5.638 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.006 -0.916 3.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.247 3.814 4.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.390 0.928 2.455 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.225 3.290 2.894 1.00 0.00 H new ATOM 461 N VAL A 30 -1.728 -4.246 3.057 1.00 0.00 N ATOM 462 CA VAL A 30 -1.305 -5.655 3.052 1.00 0.00 C ATOM 463 C VAL A 30 0.169 -5.803 3.379 1.00 0.00 C ATOM 464 O VAL A 30 0.939 -4.864 3.346 1.00 0.00 O ATOM 465 CB VAL A 30 -1.586 -6.116 1.636 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.627 -5.431 0.660 1.00 0.00 C ATOM 467 CG2 VAL A 30 -1.408 -7.610 1.564 1.00 0.00 C ATOM 0 H VAL A 30 -1.091 -3.588 2.608 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.831 -6.241 3.806 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.608 -5.852 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.837 -5.769 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.760 -4.351 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.400 -5.684 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.608 -7.952 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.385 -7.868 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.102 -8.093 2.252 1.00 0.00 H new ATOM 477 N HIS A 31 0.553 -6.998 3.691 1.00 0.00 N ATOM 478 CA HIS A 31 1.976 -7.270 4.028 1.00 0.00 C ATOM 479 C HIS A 31 2.867 -6.942 2.829 1.00 0.00 C ATOM 480 O HIS A 31 2.479 -7.134 1.694 1.00 0.00 O ATOM 481 CB HIS A 31 2.029 -8.765 4.343 1.00 0.00 C ATOM 482 CG HIS A 31 2.158 -8.960 5.829 1.00 0.00 C ATOM 483 ND1 HIS A 31 2.328 -10.212 6.398 1.00 0.00 N ATOM 484 CD2 HIS A 31 2.142 -8.071 6.876 1.00 0.00 C ATOM 485 CE1 HIS A 31 2.408 -10.044 7.731 1.00 0.00 C ATOM 486 NE2 HIS A 31 2.300 -8.758 8.077 1.00 0.00 N ATOM 0 H HIS A 31 -0.061 -7.811 3.729 1.00 0.00 H new ATOM 0 HA HIS A 31 2.329 -6.666 4.864 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.127 -9.257 3.978 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.873 -9.226 3.830 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.025 -7.002 6.782 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.543 -10.851 8.436 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.327 -8.364 9.018 1.00 0.00 H new ATOM 494 N PRO A 32 4.038 -6.458 3.128 1.00 0.00 N ATOM 495 CA PRO A 32 5.011 -6.095 2.068 1.00 0.00 C ATOM 496 C PRO A 32 5.563 -7.358 1.414 1.00 0.00 C ATOM 497 O PRO A 32 6.706 -7.723 1.608 1.00 0.00 O ATOM 498 CB PRO A 32 6.103 -5.355 2.829 1.00 0.00 C ATOM 499 CG PRO A 32 6.009 -5.861 4.232 1.00 0.00 C ATOM 500 CD PRO A 32 4.565 -6.210 4.472 1.00 0.00 C ATOM 0 HA PRO A 32 4.579 -5.496 1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.086 -5.555 2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.951 -4.276 2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.646 -6.734 4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.347 -5.104 4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.466 -7.089 5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.034 -5.397 4.966 1.00 0.00 H new ATOM 508 N LYS A 33 4.754 -8.038 0.658 1.00 0.00 N ATOM 509 CA LYS A 33 5.223 -9.292 0.010 1.00 0.00 C ATOM 510 C LYS A 33 4.090 -9.921 -0.799 1.00 0.00 C ATOM 511 O LYS A 33 4.310 -10.554 -1.812 1.00 0.00 O ATOM 512 CB LYS A 33 5.611 -10.204 1.176 1.00 0.00 C ATOM 513 CG LYS A 33 4.555 -10.103 2.285 1.00 0.00 C ATOM 514 CD LYS A 33 3.929 -11.478 2.524 1.00 0.00 C ATOM 515 CE LYS A 33 3.084 -11.876 1.313 1.00 0.00 C ATOM 516 NZ LYS A 33 2.602 -13.252 1.616 1.00 0.00 N ATOM 0 H LYS A 33 3.787 -7.781 0.459 1.00 0.00 H new ATOM 0 HA LYS A 33 6.051 -9.122 -0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.694 -11.235 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.589 -9.918 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.012 -9.736 3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.784 -9.385 2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.710 -12.219 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.310 -11.456 3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.251 -11.188 1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.674 -11.857 0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.028 -13.601 0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.417 -13.882 1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.024 -13.235 2.480 1.00 0.00 H new ATOM 530 N ALA A 34 2.877 -9.758 -0.348 1.00 0.00 N ATOM 531 CA ALA A 34 1.725 -10.354 -1.077 1.00 0.00 C ATOM 532 C ALA A 34 1.705 -9.870 -2.529 1.00 0.00 C ATOM 533 O ALA A 34 1.200 -8.807 -2.831 1.00 0.00 O ATOM 534 CB ALA A 34 0.486 -9.862 -0.329 1.00 0.00 C ATOM 0 H ALA A 34 2.635 -9.237 0.495 1.00 0.00 H new ATOM 0 HA ALA A 34 1.777 -11.442 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.409 -10.260 -0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.527 -10.202 0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.456 -8.773 -0.352 1.00 0.00 H new ATOM 540 N THR A 35 2.248 -10.641 -3.431 1.00 0.00 N ATOM 541 CA THR A 35 2.254 -10.221 -4.862 1.00 0.00 C ATOM 542 C THR A 35 0.868 -9.708 -5.262 1.00 0.00 C ATOM 543 O THR A 35 -0.121 -10.002 -4.622 1.00 0.00 O ATOM 544 CB THR A 35 2.602 -11.487 -5.647 1.00 0.00 C ATOM 545 OG1 THR A 35 2.011 -12.612 -5.012 1.00 0.00 O ATOM 546 CG2 THR A 35 4.121 -11.663 -5.689 1.00 0.00 C ATOM 0 H THR A 35 2.687 -11.542 -3.240 1.00 0.00 H new ATOM 0 HA THR A 35 2.963 -9.416 -5.055 1.00 0.00 H new ATOM 0 HB THR A 35 2.221 -11.400 -6.664 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.008 -13.372 -5.630 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.367 -12.565 -6.249 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.574 -10.799 -6.176 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.505 -11.750 -4.673 1.00 0.00 H new ATOM 554 N LYS A 36 0.789 -8.941 -6.314 1.00 0.00 N ATOM 555 CA LYS A 36 -0.536 -8.411 -6.750 1.00 0.00 C ATOM 556 C LYS A 36 -1.575 -9.538 -6.782 1.00 0.00 C ATOM 557 O LYS A 36 -2.712 -9.356 -6.398 1.00 0.00 O ATOM 558 CB LYS A 36 -0.300 -7.855 -8.155 1.00 0.00 C ATOM 559 CG LYS A 36 -0.001 -6.356 -8.067 1.00 0.00 C ATOM 560 CD LYS A 36 -0.158 -5.719 -9.450 1.00 0.00 C ATOM 561 CE LYS A 36 0.102 -4.213 -9.351 1.00 0.00 C ATOM 562 NZ LYS A 36 1.394 -3.999 -10.059 1.00 0.00 N ATOM 0 H LYS A 36 1.582 -8.658 -6.890 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.918 -7.649 -6.071 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.532 -8.376 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.178 -8.026 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.679 -5.881 -7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.012 -6.198 -7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.540 -6.174 -10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.162 -5.901 -9.834 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.702 -3.642 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.163 -3.890 -8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.640 -2.989 -10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.142 -4.549 -9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.304 -4.309 -11.048 1.00 0.00 H new ATOM 576 N THR A 37 -1.192 -10.700 -7.238 1.00 0.00 N ATOM 577 CA THR A 37 -2.161 -11.834 -7.294 1.00 0.00 C ATOM 578 C THR A 37 -2.399 -12.409 -5.894 1.00 0.00 C ATOM 579 O THR A 37 -3.505 -12.769 -5.541 1.00 0.00 O ATOM 580 CB THR A 37 -1.506 -12.868 -8.198 1.00 0.00 C ATOM 581 OG1 THR A 37 -1.660 -12.474 -9.554 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.154 -14.238 -7.986 1.00 0.00 C ATOM 0 H THR A 37 -0.253 -10.914 -7.574 1.00 0.00 H new ATOM 0 HA THR A 37 -3.135 -11.523 -7.671 1.00 0.00 H new ATOM 0 HB THR A 37 -0.446 -12.936 -7.953 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.237 -13.138 -10.138 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.678 -14.970 -8.638 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.030 -14.542 -6.947 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.216 -14.178 -8.222 1.00 0.00 H new ATOM 590 N GLU A 38 -1.373 -12.500 -5.091 1.00 0.00 N ATOM 591 CA GLU A 38 -1.551 -13.054 -3.719 1.00 0.00 C ATOM 592 C GLU A 38 -2.630 -12.266 -2.974 1.00 0.00 C ATOM 593 O GLU A 38 -3.483 -12.829 -2.320 1.00 0.00 O ATOM 594 CB GLU A 38 -0.193 -12.880 -3.037 1.00 0.00 C ATOM 595 CG GLU A 38 0.574 -14.203 -3.081 1.00 0.00 C ATOM 596 CD GLU A 38 1.490 -14.302 -1.860 1.00 0.00 C ATOM 597 OE1 GLU A 38 0.983 -14.206 -0.755 1.00 0.00 O ATOM 598 OE2 GLU A 38 2.684 -14.471 -2.051 1.00 0.00 O ATOM 0 H GLU A 38 -0.422 -12.215 -5.325 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.866 -14.097 -3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.379 -12.099 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.331 -12.562 -2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.124 -15.040 -3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.163 -14.264 -3.996 1.00 0.00 H new ATOM 605 N ILE A 39 -2.603 -10.967 -3.074 1.00 0.00 N ATOM 606 CA ILE A 39 -3.630 -10.141 -2.378 1.00 0.00 C ATOM 607 C ILE A 39 -5.033 -10.559 -2.840 1.00 0.00 C ATOM 608 O ILE A 39 -5.999 -10.462 -2.110 1.00 0.00 O ATOM 609 CB ILE A 39 -3.320 -8.699 -2.801 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.174 -8.156 -1.948 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.554 -7.813 -2.609 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.469 -7.023 -2.697 1.00 0.00 C ATOM 0 H ILE A 39 -1.913 -10.440 -3.609 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.606 -10.259 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.037 -8.693 -3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.558 -7.792 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.465 -8.953 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.320 -6.793 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.374 -8.194 -3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.848 -7.821 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.652 -6.637 -2.087 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.072 -7.401 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.181 -6.222 -2.899 1.00 0.00 H new ATOM 624 N LYS A 40 -5.142 -11.014 -4.054 1.00 0.00 N ATOM 625 CA LYS A 40 -6.468 -11.437 -4.598 1.00 0.00 C ATOM 626 C LYS A 40 -7.105 -12.531 -3.738 1.00 0.00 C ATOM 627 O LYS A 40 -8.297 -12.537 -3.501 1.00 0.00 O ATOM 628 CB LYS A 40 -6.135 -11.999 -5.978 1.00 0.00 C ATOM 629 CG LYS A 40 -7.426 -12.291 -6.742 1.00 0.00 C ATOM 630 CD LYS A 40 -7.124 -12.354 -8.241 1.00 0.00 C ATOM 631 CE LYS A 40 -8.310 -12.986 -8.974 1.00 0.00 C ATOM 632 NZ LYS A 40 -8.288 -14.420 -8.572 1.00 0.00 N ATOM 0 H LYS A 40 -4.362 -11.114 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.179 -10.611 -4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.526 -11.286 -6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.547 -12.911 -5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.855 -13.235 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.165 -11.515 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.936 -11.352 -8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.221 -12.938 -8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.249 -12.510 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.211 -12.877 -10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.498 -15.015 -9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.347 -14.662 -8.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.004 -14.585 -7.836 1.00 0.00 H new ATOM 646 N ASN A 41 -6.323 -13.476 -3.308 1.00 0.00 N ATOM 647 CA ASN A 41 -6.876 -14.604 -2.499 1.00 0.00 C ATOM 648 C ASN A 41 -7.574 -14.119 -1.218 1.00 0.00 C ATOM 649 O ASN A 41 -8.677 -14.531 -0.918 1.00 0.00 O ATOM 650 CB ASN A 41 -5.656 -15.457 -2.147 1.00 0.00 C ATOM 651 CG ASN A 41 -5.432 -16.504 -3.239 1.00 0.00 C ATOM 652 OD1 ASN A 41 -5.834 -17.642 -3.097 1.00 0.00 O ATOM 653 ND2 ASN A 41 -4.803 -16.166 -4.331 1.00 0.00 N ATOM 0 H ASN A 41 -5.319 -13.520 -3.480 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.637 -15.151 -3.056 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.774 -14.825 -2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.807 -15.946 -1.185 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.649 -16.857 -5.065 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.466 -15.211 -4.450 1.00 0.00 H new ATOM 660 N ALA A 42 -6.944 -13.277 -0.445 1.00 0.00 N ATOM 661 CA ALA A 42 -7.588 -12.812 0.823 1.00 0.00 C ATOM 662 C ALA A 42 -8.725 -11.822 0.549 1.00 0.00 C ATOM 663 O ALA A 42 -9.746 -11.849 1.206 1.00 0.00 O ATOM 664 CB ALA A 42 -6.470 -12.143 1.623 1.00 0.00 C ATOM 0 H ALA A 42 -6.018 -12.892 -0.632 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.039 -13.644 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.869 -11.776 2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.679 -12.867 1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.064 -11.308 1.052 1.00 0.00 H new ATOM 670 N VAL A 43 -8.562 -10.942 -0.399 1.00 0.00 N ATOM 671 CA VAL A 43 -9.645 -9.956 -0.679 1.00 0.00 C ATOM 672 C VAL A 43 -10.922 -10.678 -1.133 1.00 0.00 C ATOM 673 O VAL A 43 -12.009 -10.376 -0.681 1.00 0.00 O ATOM 674 CB VAL A 43 -9.076 -9.035 -1.775 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.838 -9.200 -3.094 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.196 -7.585 -1.308 1.00 0.00 C ATOM 0 H VAL A 43 -7.733 -10.862 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.929 -9.382 0.203 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.034 -9.303 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.412 -8.536 -3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.758 -10.233 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.888 -8.949 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.797 -6.921 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.244 -7.345 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.633 -7.452 -0.384 1.00 0.00 H new ATOM 686 N GLU A 44 -10.802 -11.624 -2.023 1.00 0.00 N ATOM 687 CA GLU A 44 -12.014 -12.350 -2.497 1.00 0.00 C ATOM 688 C GLU A 44 -12.750 -12.966 -1.305 1.00 0.00 C ATOM 689 O GLU A 44 -13.964 -12.969 -1.248 1.00 0.00 O ATOM 690 CB GLU A 44 -11.487 -13.440 -3.432 1.00 0.00 C ATOM 691 CG GLU A 44 -12.101 -13.260 -4.821 1.00 0.00 C ATOM 692 CD GLU A 44 -13.352 -14.134 -4.944 1.00 0.00 C ATOM 693 OE1 GLU A 44 -13.780 -14.666 -3.934 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.858 -14.256 -6.047 1.00 0.00 O ATOM 0 H GLU A 44 -9.922 -11.925 -2.441 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.721 -11.694 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.400 -13.387 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.736 -14.425 -3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.358 -12.213 -4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.377 -13.533 -5.588 1.00 0.00 H new ATOM 701 N THR A 45 -12.026 -13.477 -0.350 1.00 0.00 N ATOM 702 CA THR A 45 -12.684 -14.083 0.844 1.00 0.00 C ATOM 703 C THR A 45 -13.126 -12.983 1.812 1.00 0.00 C ATOM 704 O THR A 45 -14.227 -12.998 2.328 1.00 0.00 O ATOM 705 CB THR A 45 -11.608 -14.957 1.488 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.578 -14.130 2.009 1.00 0.00 O ATOM 707 CG2 THR A 45 -11.024 -15.904 0.439 1.00 0.00 C ATOM 0 H THR A 45 -11.006 -13.502 -0.343 1.00 0.00 H new ATOM 0 HA THR A 45 -13.573 -14.657 0.581 1.00 0.00 H new ATOM 0 HB THR A 45 -12.048 -15.541 2.296 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.298 -13.486 1.325 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.257 -16.527 0.898 1.00 0.00 H new ATOM 0 HG22 THR A 45 -11.816 -16.538 0.040 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.583 -15.323 -0.370 1.00 0.00 H new ATOM 715 N ALA A 46 -12.271 -12.031 2.066 1.00 0.00 N ATOM 716 CA ALA A 46 -12.630 -10.929 3.004 1.00 0.00 C ATOM 717 C ALA A 46 -13.717 -10.038 2.394 1.00 0.00 C ATOM 718 O ALA A 46 -14.796 -9.901 2.937 1.00 0.00 O ATOM 719 CB ALA A 46 -11.336 -10.140 3.199 1.00 0.00 C ATOM 0 H ALA A 46 -11.336 -11.968 1.663 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.026 -11.305 3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.516 -9.308 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.571 -10.793 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.996 -9.755 2.237 1.00 0.00 H new ATOM 725 N PHE A 47 -13.442 -9.427 1.273 1.00 0.00 N ATOM 726 CA PHE A 47 -14.463 -8.543 0.637 1.00 0.00 C ATOM 727 C PHE A 47 -15.597 -9.385 0.050 1.00 0.00 C ATOM 728 O PHE A 47 -16.694 -8.909 -0.162 1.00 0.00 O ATOM 729 CB PHE A 47 -13.711 -7.802 -0.468 1.00 0.00 C ATOM 730 CG PHE A 47 -12.918 -6.672 0.143 1.00 0.00 C ATOM 731 CD1 PHE A 47 -13.550 -5.464 0.459 1.00 0.00 C ATOM 732 CD2 PHE A 47 -11.552 -6.836 0.398 1.00 0.00 C ATOM 733 CE1 PHE A 47 -12.816 -4.419 1.031 1.00 0.00 C ATOM 734 CE2 PHE A 47 -10.817 -5.789 0.969 1.00 0.00 C ATOM 735 CZ PHE A 47 -11.449 -4.581 1.285 1.00 0.00 C ATOM 0 H PHE A 47 -12.557 -9.501 0.771 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.918 -7.855 1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.045 -8.487 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.414 -7.412 -1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.604 -5.338 0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.065 -7.769 0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.304 -3.487 1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.762 -5.914 1.165 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.882 -3.774 1.725 1.00 0.00 H new ATOM 745 N LYS A 48 -15.337 -10.634 -0.210 1.00 0.00 N ATOM 746 CA LYS A 48 -16.392 -11.521 -0.778 1.00 0.00 C ATOM 747 C LYS A 48 -16.938 -10.931 -2.072 1.00 0.00 C ATOM 748 O LYS A 48 -18.124 -10.964 -2.335 1.00 0.00 O ATOM 749 CB LYS A 48 -17.481 -11.587 0.293 1.00 0.00 C ATOM 750 CG LYS A 48 -17.439 -12.952 0.983 1.00 0.00 C ATOM 751 CD LYS A 48 -18.802 -13.633 0.849 1.00 0.00 C ATOM 752 CE LYS A 48 -18.671 -14.868 -0.045 1.00 0.00 C ATOM 753 NZ LYS A 48 -19.483 -15.918 0.630 1.00 0.00 N ATOM 0 H LYS A 48 -14.435 -11.083 -0.053 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.009 -12.512 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.334 -10.793 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.460 -11.426 -0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.664 -13.574 0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.183 -12.832 2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.175 -13.921 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.527 -12.939 0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.041 -14.669 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.630 -15.176 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.443 -16.797 0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -19.104 -16.091 1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.470 -15.600 0.703 1.00 0.00 H new ATOM 767 N VAL A 49 -16.078 -10.396 -2.883 1.00 0.00 N ATOM 768 CA VAL A 49 -16.529 -9.806 -4.166 1.00 0.00 C ATOM 769 C VAL A 49 -15.834 -10.507 -5.334 1.00 0.00 C ATOM 770 O VAL A 49 -15.239 -11.556 -5.181 1.00 0.00 O ATOM 771 CB VAL A 49 -16.126 -8.325 -4.068 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.882 -8.018 -4.912 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.290 -7.467 -4.540 1.00 0.00 C ATOM 0 H VAL A 49 -15.074 -10.342 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.599 -9.918 -4.339 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.883 -8.102 -3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.629 -6.962 -4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.046 -8.624 -4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -15.086 -8.249 -5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -17.016 -6.414 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.530 -7.716 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.159 -7.655 -3.910 1.00 0.00 H new ATOM 783 N LYS A 50 -15.888 -9.921 -6.491 1.00 0.00 N ATOM 784 CA LYS A 50 -15.210 -10.536 -7.664 1.00 0.00 C ATOM 785 C LYS A 50 -13.957 -9.733 -7.998 1.00 0.00 C ATOM 786 O LYS A 50 -14.033 -8.597 -8.426 1.00 0.00 O ATOM 787 CB LYS A 50 -16.218 -10.466 -8.812 1.00 0.00 C ATOM 788 CG LYS A 50 -16.029 -11.686 -9.717 1.00 0.00 C ATOM 789 CD LYS A 50 -14.922 -11.400 -10.733 1.00 0.00 C ATOM 790 CE LYS A 50 -15.110 -12.297 -11.959 1.00 0.00 C ATOM 791 NZ LYS A 50 -14.582 -11.500 -13.103 1.00 0.00 N ATOM 0 H LYS A 50 -16.372 -9.043 -6.678 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.904 -11.565 -7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.235 -10.443 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.075 -9.548 -9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.771 -12.560 -9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.961 -11.917 -10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.948 -10.351 -11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.946 -11.581 -10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.568 -13.236 -11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -16.160 -12.551 -12.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.375 -12.134 -13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.292 -10.798 -13.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.711 -11.012 -12.813 1.00 0.00 H new ATOM 805 N VAL A 51 -12.804 -10.305 -7.805 1.00 0.00 N ATOM 806 CA VAL A 51 -11.557 -9.557 -8.112 1.00 0.00 C ATOM 807 C VAL A 51 -11.324 -9.553 -9.621 1.00 0.00 C ATOM 808 O VAL A 51 -11.496 -10.553 -10.292 1.00 0.00 O ATOM 809 CB VAL A 51 -10.447 -10.308 -7.381 1.00 0.00 C ATOM 810 CG1 VAL A 51 -9.091 -9.901 -7.960 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.496 -9.950 -5.893 1.00 0.00 C ATOM 0 H VAL A 51 -12.671 -11.252 -7.450 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.600 -8.515 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.585 -11.382 -7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.297 -10.436 -7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.059 -10.148 -9.021 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.949 -8.828 -7.833 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.706 -10.483 -5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.353 -8.876 -5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.464 -10.236 -5.482 1.00 0.00 H new ATOM 821 N VAL A 52 -10.968 -8.427 -10.161 1.00 0.00 N ATOM 822 CA VAL A 52 -10.758 -8.332 -11.629 1.00 0.00 C ATOM 823 C VAL A 52 -9.395 -7.709 -11.938 1.00 0.00 C ATOM 824 O VAL A 52 -8.972 -7.644 -13.075 1.00 0.00 O ATOM 825 CB VAL A 52 -11.911 -7.450 -12.084 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.558 -6.685 -13.357 1.00 0.00 C ATOM 827 CG2 VAL A 52 -13.128 -8.331 -12.345 1.00 0.00 C ATOM 0 H VAL A 52 -10.812 -7.561 -9.646 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.749 -9.296 -12.138 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.123 -6.722 -11.301 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.403 -6.065 -13.655 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.690 -6.052 -13.172 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.328 -7.392 -14.154 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.963 -7.711 -12.672 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.891 -9.059 -13.121 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.402 -8.854 -11.429 1.00 0.00 H new ATOM 837 N LYS A 53 -8.702 -7.261 -10.928 1.00 0.00 N ATOM 838 CA LYS A 53 -7.360 -6.650 -11.142 1.00 0.00 C ATOM 839 C LYS A 53 -6.888 -6.004 -9.834 1.00 0.00 C ATOM 840 O LYS A 53 -7.580 -5.201 -9.240 1.00 0.00 O ATOM 841 CB LYS A 53 -7.558 -5.626 -12.284 1.00 0.00 C ATOM 842 CG LYS A 53 -7.172 -4.206 -11.850 1.00 0.00 C ATOM 843 CD LYS A 53 -6.833 -3.372 -13.087 1.00 0.00 C ATOM 844 CE LYS A 53 -8.055 -3.296 -14.003 1.00 0.00 C ATOM 845 NZ LYS A 53 -7.504 -3.369 -15.385 1.00 0.00 N ATOM 0 H LYS A 53 -9.010 -7.292 -9.956 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.589 -7.370 -11.418 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.956 -5.920 -13.144 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.599 -5.637 -12.606 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.993 -3.746 -11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.317 -4.240 -11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.526 -2.369 -12.789 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.993 -3.818 -13.620 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.745 -4.117 -13.809 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.609 -2.370 -13.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.283 -3.323 -16.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.855 -2.571 -15.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.988 -4.264 -15.506 1.00 0.00 H new ATOM 859 N VAL A 54 -5.721 -6.362 -9.377 1.00 0.00 N ATOM 860 CA VAL A 54 -5.212 -5.782 -8.100 1.00 0.00 C ATOM 861 C VAL A 54 -3.956 -4.939 -8.354 1.00 0.00 C ATOM 862 O VAL A 54 -3.036 -5.362 -9.024 1.00 0.00 O ATOM 863 CB VAL A 54 -4.899 -7.003 -7.208 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.515 -6.870 -6.557 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.950 -7.102 -6.104 1.00 0.00 C ATOM 0 H VAL A 54 -5.097 -7.030 -9.830 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.933 -5.114 -7.629 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.911 -7.896 -7.833 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.320 -7.743 -5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.753 -6.801 -7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.488 -5.972 -5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.733 -7.963 -5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.931 -6.194 -5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.937 -7.220 -6.551 1.00 0.00 H new ATOM 875 N ASN A 55 -3.907 -3.762 -7.799 1.00 0.00 N ATOM 876 CA ASN A 55 -2.704 -2.908 -7.978 1.00 0.00 C ATOM 877 C ASN A 55 -2.258 -2.371 -6.621 1.00 0.00 C ATOM 878 O ASN A 55 -2.968 -1.632 -5.970 1.00 0.00 O ATOM 879 CB ASN A 55 -3.143 -1.771 -8.901 1.00 0.00 C ATOM 880 CG ASN A 55 -2.476 -1.937 -10.268 1.00 0.00 C ATOM 881 OD1 ASN A 55 -2.550 -2.990 -10.868 1.00 0.00 O ATOM 882 ND2 ASN A 55 -1.823 -0.934 -10.788 1.00 0.00 N ATOM 0 H ASN A 55 -4.649 -3.355 -7.229 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.862 -3.454 -8.403 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.227 -1.776 -9.011 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.871 -0.809 -8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.375 -1.035 -11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.761 -0.049 -10.284 1.00 0.00 H new ATOM 889 N THR A 56 -1.089 -2.744 -6.182 1.00 0.00 N ATOM 890 CA THR A 56 -0.611 -2.262 -4.856 1.00 0.00 C ATOM 891 C THR A 56 0.643 -1.400 -5.021 1.00 0.00 C ATOM 892 O THR A 56 1.433 -1.595 -5.923 1.00 0.00 O ATOM 893 CB THR A 56 -0.295 -3.519 -4.012 1.00 0.00 C ATOM 894 OG1 THR A 56 1.060 -3.472 -3.588 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.524 -4.806 -4.816 1.00 0.00 C ATOM 0 H THR A 56 -0.446 -3.359 -6.681 1.00 0.00 H new ATOM 0 HA THR A 56 -1.367 -1.646 -4.370 1.00 0.00 H new ATOM 0 HB THR A 56 -0.965 -3.527 -3.152 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.153 -2.820 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.293 -5.670 -4.193 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.565 -4.856 -5.134 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.123 -4.807 -5.693 1.00 0.00 H new ATOM 903 N LEU A 57 0.828 -0.449 -4.147 1.00 0.00 N ATOM 904 CA LEU A 57 2.029 0.433 -4.239 1.00 0.00 C ATOM 905 C LEU A 57 2.720 0.500 -2.875 1.00 0.00 C ATOM 906 O LEU A 57 2.075 0.510 -1.844 1.00 0.00 O ATOM 907 CB LEU A 57 1.505 1.822 -4.632 1.00 0.00 C ATOM 908 CG LEU A 57 0.257 1.699 -5.511 1.00 0.00 C ATOM 909 CD1 LEU A 57 -0.989 1.957 -4.662 1.00 0.00 C ATOM 910 CD2 LEU A 57 0.324 2.732 -6.639 1.00 0.00 C ATOM 0 H LEU A 57 0.199 -0.243 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 57 2.752 0.061 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.270 2.395 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.280 2.371 -5.167 1.00 0.00 H new ATOM 0 HG LEU A 57 0.209 0.697 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.879 1.870 -5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.038 1.225 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.939 2.960 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.564 2.645 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.371 3.734 -6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.213 2.553 -7.244 1.00 0.00 H new ATOM 922 N HIS A 58 4.024 0.549 -2.853 1.00 0.00 N ATOM 923 CA HIS A 58 4.737 0.618 -1.544 1.00 0.00 C ATOM 924 C HIS A 58 4.531 1.994 -0.906 1.00 0.00 C ATOM 925 O HIS A 58 5.004 2.998 -1.402 1.00 0.00 O ATOM 926 CB HIS A 58 6.213 0.392 -1.874 1.00 0.00 C ATOM 927 CG HIS A 58 6.827 -0.489 -0.821 1.00 0.00 C ATOM 928 ND1 HIS A 58 7.939 -1.276 -1.071 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.493 -0.718 0.492 1.00 0.00 C ATOM 930 CE1 HIS A 58 8.233 -1.936 0.064 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.382 -1.633 1.048 1.00 0.00 N ATOM 0 H HIS A 58 4.624 0.544 -3.678 1.00 0.00 H new ATOM 0 HA HIS A 58 4.367 -0.122 -0.834 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.311 -0.072 -2.856 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.738 1.346 -1.918 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.666 -0.258 1.013 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.057 -2.627 0.167 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.383 -1.995 2.002 1.00 0.00 H new ATOM 939 N VAL A 59 3.823 2.048 0.187 1.00 0.00 N ATOM 940 CA VAL A 59 3.578 3.359 0.860 1.00 0.00 C ATOM 941 C VAL A 59 4.284 3.393 2.218 1.00 0.00 C ATOM 942 O VAL A 59 4.103 2.525 3.046 1.00 0.00 O ATOM 943 CB VAL A 59 2.054 3.477 1.060 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.539 4.693 0.291 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.327 2.223 0.553 1.00 0.00 C ATOM 0 H VAL A 59 3.402 1.241 0.646 1.00 0.00 H new ATOM 0 HA VAL A 59 3.963 4.184 0.260 1.00 0.00 H new ATOM 0 HB VAL A 59 1.857 3.585 2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.461 4.781 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.027 5.593 0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.760 4.573 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.254 2.337 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.528 2.091 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.682 1.350 1.101 1.00 0.00 H new ATOM 1245 N ARG A 76 5.395 -0.648 4.098 1.00 0.00 N ATOM 1246 CA ARG A 76 3.908 -0.737 4.080 1.00 0.00 C ATOM 1247 C ARG A 76 3.391 -0.522 2.654 1.00 0.00 C ATOM 1248 O ARG A 76 3.647 0.491 2.037 1.00 0.00 O ATOM 1249 CB ARG A 76 3.449 0.387 5.013 1.00 0.00 C ATOM 1250 CG ARG A 76 1.969 0.699 4.779 1.00 0.00 C ATOM 1251 CD ARG A 76 1.815 2.188 4.463 1.00 0.00 C ATOM 1252 NE ARG A 76 0.767 2.674 5.403 1.00 0.00 N ATOM 1253 CZ ARG A 76 0.931 3.805 6.033 1.00 0.00 C ATOM 1254 NH1 ARG A 76 2.006 4.006 6.744 1.00 0.00 N ATOM 1255 NH2 ARG A 76 0.019 4.735 5.951 1.00 0.00 N ATOM 0 HA ARG A 76 3.533 -1.708 4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.606 0.094 6.051 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.048 1.281 4.839 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.584 0.098 3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.386 0.440 5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.754 2.722 4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.518 2.343 3.426 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.078 2.123 5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.719 3.279 6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.134 4.890 7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.821 4.578 5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.147 5.619 6.443 1.00 0.00 H new ATOM 1269 N LYS A 77 2.671 -1.473 2.125 1.00 0.00 N ATOM 1270 CA LYS A 77 2.145 -1.325 0.737 1.00 0.00 C ATOM 1271 C LYS A 77 0.620 -1.467 0.725 1.00 0.00 C ATOM 1272 O LYS A 77 0.057 -2.274 1.437 1.00 0.00 O ATOM 1273 CB LYS A 77 2.798 -2.455 -0.058 1.00 0.00 C ATOM 1274 CG LYS A 77 2.150 -3.789 0.320 1.00 0.00 C ATOM 1275 CD LYS A 77 2.795 -4.916 -0.489 1.00 0.00 C ATOM 1276 CE LYS A 77 2.067 -5.066 -1.827 1.00 0.00 C ATOM 1277 NZ LYS A 77 2.034 -6.534 -2.082 1.00 0.00 N ATOM 0 H LYS A 77 2.424 -2.345 2.593 1.00 0.00 H new ATOM 0 HA LYS A 77 2.372 -0.346 0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.685 -2.274 -1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.868 -2.487 0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.273 -3.976 1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.078 -3.753 0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.849 -4.698 -0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.749 -5.851 0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.060 -4.651 -1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.591 -4.538 -2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.369 -6.737 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.985 -6.862 -2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.725 -7.029 -1.221 1.00 0.00 H new ATOM 1291 N LYS A 78 -0.049 -0.689 -0.080 1.00 0.00 N ATOM 1292 CA LYS A 78 -1.536 -0.781 -0.142 1.00 0.00 C ATOM 1293 C LYS A 78 -1.951 -1.586 -1.379 1.00 0.00 C ATOM 1294 O LYS A 78 -1.245 -1.612 -2.361 1.00 0.00 O ATOM 1295 CB LYS A 78 -2.023 0.665 -0.250 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.562 1.264 -1.580 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.114 2.683 -1.719 1.00 0.00 C ATOM 1298 CE LYS A 78 -0.997 3.695 -1.458 1.00 0.00 C ATOM 1299 NZ LYS A 78 -1.228 4.786 -2.446 1.00 0.00 N ATOM 0 H LYS A 78 0.369 0.007 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.961 -1.282 0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.110 0.699 -0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.633 1.254 0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.473 1.280 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.907 0.645 -2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.524 2.828 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.931 2.837 -1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.037 4.073 -0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.015 3.242 -1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.506 4.736 -3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.172 4.678 -2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.167 5.707 -1.967 1.00 0.00 H new ATOM 1313 N ALA A 79 -3.076 -2.260 -1.337 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.494 -3.071 -2.526 1.00 0.00 C ATOM 1315 C ALA A 79 -4.780 -2.545 -3.152 1.00 0.00 C ATOM 1316 O ALA A 79 -5.825 -2.555 -2.536 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.753 -4.465 -1.992 1.00 0.00 C ATOM 0 H ALA A 79 -3.715 -2.285 -0.543 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.723 -3.036 -3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.064 -5.116 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.841 -4.858 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.541 -4.426 -1.240 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.721 -2.134 -4.386 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.949 -1.643 -5.066 1.00 0.00 C ATOM 1325 C ILE A 80 -6.585 -2.782 -5.859 1.00 0.00 C ATOM 1326 O ILE A 80 -6.047 -3.239 -6.845 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.467 -0.546 -6.007 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.710 0.512 -5.205 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.669 0.098 -6.700 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -4.486 1.742 -6.080 1.00 0.00 C ATOM 0 H ILE A 80 -3.874 -2.117 -4.954 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.698 -1.275 -4.364 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.805 -0.975 -6.759 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.276 0.783 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.754 0.113 -4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.324 0.883 -7.373 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.208 -0.658 -7.271 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.333 0.529 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.946 2.499 -5.512 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.903 1.463 -6.958 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.449 2.144 -6.397 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.722 -3.251 -5.436 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.376 -4.368 -6.170 1.00 0.00 C ATOM 1344 C VAL A 81 -9.516 -3.841 -7.038 1.00 0.00 C ATOM 1345 O VAL A 81 -10.233 -2.935 -6.659 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.913 -5.292 -5.079 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -9.303 -6.638 -5.694 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.827 -5.512 -4.023 1.00 0.00 C ATOM 0 H VAL A 81 -8.226 -2.912 -4.617 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.686 -4.882 -6.839 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.789 -4.838 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.686 -7.297 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.073 -6.483 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.428 -7.094 -6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.207 -6.171 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.953 -5.967 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.547 -4.554 -3.584 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.698 -4.409 -8.197 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.797 -3.952 -9.083 1.00 0.00 C ATOM 1360 C GLN A 82 -11.783 -5.083 -9.272 1.00 0.00 C ATOM 1361 O GLN A 82 -11.421 -6.241 -9.240 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.138 -3.628 -10.417 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.209 -3.240 -11.440 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.467 -1.734 -11.369 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -10.546 -0.944 -11.423 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -12.693 -1.299 -11.251 1.00 0.00 N ATOM 0 H GLN A 82 -9.130 -5.171 -8.567 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.328 -3.094 -8.672 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.426 -2.812 -10.293 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.575 -4.490 -10.775 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.885 -3.516 -12.443 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.131 -3.787 -11.241 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.467 -1.962 -11.206 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.876 -0.297 -11.204 1.00 0.00 H new ATOM 1375 N VAL A 83 -13.020 -4.777 -9.485 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.985 -5.871 -9.693 1.00 0.00 C ATOM 1377 C VAL A 83 -14.719 -5.673 -11.011 1.00 0.00 C ATOM 1378 O VAL A 83 -14.832 -4.575 -11.520 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.952 -5.828 -8.511 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.175 -5.579 -7.217 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.970 -4.705 -8.724 1.00 0.00 C ATOM 0 H VAL A 83 -13.401 -3.831 -9.524 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.489 -6.840 -9.745 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.475 -6.782 -8.437 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.868 -5.549 -6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.455 -6.383 -7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.648 -4.628 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.660 -4.674 -7.881 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.449 -3.751 -8.801 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.528 -4.889 -9.642 1.00 0.00 H new ATOM 1391 N ALA A 84 -15.212 -6.732 -11.560 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.942 -6.639 -12.849 1.00 0.00 C ATOM 1393 C ALA A 84 -16.966 -5.506 -12.810 1.00 0.00 C ATOM 1394 O ALA A 84 -17.126 -4.837 -11.808 1.00 0.00 O ATOM 1395 CB ALA A 84 -16.638 -7.985 -12.983 1.00 0.00 C ATOM 0 H ALA A 84 -15.143 -7.672 -11.171 1.00 0.00 H new ATOM 0 HA ALA A 84 -15.280 -6.425 -13.688 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -17.207 -8.010 -13.913 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.893 -8.781 -12.992 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -17.314 -8.131 -12.140 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.625 -5.338 -13.918 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.654 -4.282 -14.048 1.00 0.00 C ATOM 1403 C PRO A 85 -19.921 -4.677 -13.288 1.00 0.00 C ATOM 1404 O PRO A 85 -20.308 -5.829 -13.259 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.916 -4.223 -15.549 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.528 -5.564 -16.068 1.00 0.00 C ATOM 1407 CD PRO A 85 -17.470 -6.118 -15.145 1.00 0.00 C ATOM 0 HA PRO A 85 -18.340 -3.322 -13.637 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.964 -4.009 -15.757 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.330 -3.434 -16.020 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -19.393 -6.227 -16.102 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -18.146 -5.486 -17.086 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.618 -7.182 -14.962 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.472 -6.003 -15.568 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.570 -3.730 -12.671 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.813 -4.049 -11.914 1.00 0.00 C ATOM 1417 C GLY A 86 -21.472 -4.282 -10.441 1.00 0.00 C ATOM 1418 O GLY A 86 -22.184 -3.854 -9.555 1.00 0.00 O ATOM 0 H GLY A 86 -20.294 -2.748 -12.658 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.527 -3.231 -12.007 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.288 -4.936 -12.332 1.00 0.00 H new ATOM 1422 N GLN A 87 -20.391 -4.961 -10.170 1.00 0.00 N ATOM 1423 CA GLN A 87 -20.012 -5.222 -8.752 1.00 0.00 C ATOM 1424 C GLN A 87 -19.558 -3.933 -8.078 1.00 0.00 C ATOM 1425 O GLN A 87 -19.501 -2.890 -8.695 1.00 0.00 O ATOM 1426 CB GLN A 87 -18.866 -6.230 -8.819 1.00 0.00 C ATOM 1427 CG GLN A 87 -19.439 -7.643 -8.919 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.594 -8.599 -8.075 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -17.413 -8.380 -7.887 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -19.151 -9.658 -7.555 1.00 0.00 N ATOM 0 H GLN A 87 -19.755 -5.346 -10.868 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.850 -5.603 -8.169 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.233 -6.021 -9.681 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -18.237 -6.142 -7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -20.473 -7.653 -8.573 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.448 -7.970 -9.959 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.142 -9.842 -7.712 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.596 -10.302 -6.991 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.253 -3.994 -6.811 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.820 -2.762 -6.094 1.00 0.00 C ATOM 1441 C LYS A 88 -18.556 -3.075 -4.617 1.00 0.00 C ATOM 1442 O LYS A 88 -19.473 -3.196 -3.829 1.00 0.00 O ATOM 1443 CB LYS A 88 -20.024 -1.821 -6.239 1.00 0.00 C ATOM 1444 CG LYS A 88 -19.636 -0.427 -6.766 1.00 0.00 C ATOM 1445 CD LYS A 88 -18.333 -0.449 -7.577 1.00 0.00 C ATOM 1446 CE LYS A 88 -18.340 0.703 -8.584 1.00 0.00 C ATOM 1447 NZ LYS A 88 -18.230 0.050 -9.918 1.00 0.00 N ATOM 0 H LYS A 88 -19.285 -4.841 -6.243 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.899 -2.335 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -20.750 -2.270 -6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -20.514 -1.714 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -20.442 -0.040 -7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -19.526 0.258 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.475 -0.358 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.232 -1.401 -8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -19.255 1.290 -8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.508 1.385 -8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.228 0.777 -10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.346 -0.496 -9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -19.039 -0.588 -10.060 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.315 -3.204 -4.228 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.022 -3.502 -2.796 1.00 0.00 C ATOM 1463 C ILE A 89 -17.664 -2.431 -1.906 1.00 0.00 C ATOM 1464 O ILE A 89 -17.053 -1.437 -1.568 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.495 -3.471 -2.672 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.908 -4.765 -3.251 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.108 -3.358 -1.195 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.414 -4.837 -2.929 1.00 0.00 C ATOM 0 H ILE A 89 -16.499 -3.117 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.422 -4.466 -2.483 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.103 -2.615 -3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.423 -5.630 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.060 -4.795 -4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.022 -3.336 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.526 -2.441 -0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.500 -4.216 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.997 -5.756 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.905 -3.979 -3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.274 -4.827 -1.848 1.00 0.00 H new ATOM 1480 N GLU A 90 -18.898 -2.630 -1.534 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.603 -1.634 -0.674 1.00 0.00 C ATOM 1482 C GLU A 90 -18.847 -1.413 0.641 1.00 0.00 C ATOM 1483 O GLU A 90 -19.127 -0.487 1.377 1.00 0.00 O ATOM 1484 CB GLU A 90 -20.976 -2.252 -0.404 1.00 0.00 C ATOM 1485 CG GLU A 90 -20.823 -3.426 0.566 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.150 -4.181 0.667 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -22.532 -4.801 -0.312 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -22.762 -4.125 1.721 1.00 0.00 O ATOM 0 H GLU A 90 -19.454 -3.446 -1.790 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.674 -0.659 -1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.648 -1.504 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.423 -2.593 -1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.036 -4.097 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.523 -3.063 1.549 1.00 0.00 H new ATOM 1495 N ALA A 91 -17.905 -2.260 0.952 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.154 -2.097 2.231 1.00 0.00 C ATOM 1497 C ALA A 91 -16.555 -0.691 2.334 1.00 0.00 C ATOM 1498 O ALA A 91 -16.452 -0.131 3.406 1.00 0.00 O ATOM 1499 CB ALA A 91 -16.044 -3.147 2.171 1.00 0.00 C ATOM 0 H ALA A 91 -17.623 -3.055 0.379 1.00 0.00 H new ATOM 0 HA ALA A 91 -17.798 -2.225 3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.443 -3.093 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -16.486 -4.140 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.410 -2.958 1.305 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.159 -0.111 1.233 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.572 1.263 1.291 1.00 0.00 C ATOM 1507 C LEU A 92 -16.574 2.281 0.747 1.00 0.00 C ATOM 1508 O LEU A 92 -16.509 3.455 1.051 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.317 1.244 0.402 1.00 0.00 C ATOM 1510 CG LEU A 92 -13.791 -0.182 0.244 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.447 -0.156 -0.485 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.608 -0.811 1.627 1.00 0.00 C ATOM 0 H LEU A 92 -16.215 -0.523 0.302 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.327 1.542 2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.552 1.661 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.545 1.876 0.841 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.504 -0.770 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.074 -1.174 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.576 0.293 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.732 0.431 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.233 -1.828 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.895 -0.222 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.566 -0.832 2.147 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.493 1.839 -0.063 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.493 2.782 -0.635 1.00 0.00 C ATOM 1526 C GLU A 93 -19.173 3.580 0.480 1.00 0.00 C ATOM 1527 O GLU A 93 -19.523 4.730 0.309 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.510 1.896 -1.356 1.00 0.00 C ATOM 1529 CG GLU A 93 -18.873 1.307 -2.616 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.048 2.283 -3.781 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -18.462 3.351 -3.726 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -19.766 1.945 -4.708 1.00 0.00 O ATOM 0 H GLU A 93 -17.595 0.867 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.034 3.507 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.843 1.095 -0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.393 2.479 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -17.814 1.115 -2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.336 0.350 -2.857 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.366 2.977 1.622 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.028 3.701 2.745 1.00 0.00 C ATOM 1541 C GLY A 94 -18.970 4.209 3.727 1.00 0.00 C ATOM 1542 O GLY A 94 -19.288 4.733 4.777 1.00 0.00 O ATOM 0 H GLY A 94 -19.094 2.015 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.610 4.537 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.725 3.038 3.257 1.00 0.00 H new ATOM 1546 N LEU A 95 -17.717 4.059 3.399 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.645 4.537 4.318 1.00 0.00 C ATOM 1548 C LEU A 95 -16.522 6.060 4.239 1.00 0.00 C ATOM 1549 O LEU A 95 -16.079 6.707 5.168 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.365 3.871 3.814 1.00 0.00 C ATOM 1551 CG LEU A 95 -14.723 3.074 4.950 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -15.766 2.146 5.576 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.566 2.238 4.397 1.00 0.00 C ATOM 0 H LEU A 95 -17.389 3.627 2.536 1.00 0.00 H new ATOM 0 HA LEU A 95 -16.852 4.288 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.591 3.212 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -14.670 4.626 3.447 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.346 3.762 5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -15.308 1.578 6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.591 2.739 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.143 1.459 4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.108 1.670 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -13.943 1.551 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.822 2.897 3.950 1.00 0.00 H new ATOM 1565 N ILE A 96 -16.910 6.637 3.136 1.00 0.00 N ATOM 1566 CA ILE A 96 -16.814 8.118 2.994 1.00 0.00 C ATOM 1567 C ILE A 96 -17.548 8.808 4.149 1.00 0.00 C ATOM 1568 O ILE A 96 -17.330 9.994 4.338 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.495 8.430 1.662 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -16.700 7.789 0.523 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -17.549 9.945 1.456 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.667 7.237 -0.527 1.00 0.00 C ATOM 1573 OXT ILE A 96 -18.311 8.139 4.825 1.00 0.00 O ATOM 0 H ILE A 96 -17.290 6.147 2.326 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.783 8.471 3.018 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.509 8.030 1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.036 8.525 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.071 6.988 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.035 10.166 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.115 10.403 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.536 10.347 1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.101 6.780 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.313 6.488 -0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.277 8.049 -0.922 1.00 0.00 H new