USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 585 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 60 TYR OH : rot 180:sc= 1.06 USER MOD Set 1.2: A 70 SER OG : rot 130:sc= 1.25 USER MOD Set 2.1: A 1 MET CE :methyl 168:sc= -2.05! (180deg=-0.822) USER MOD Set 2.2: A 74 GLN : amide:sc= -5.87! C(o=-7.9!,f=-5.4!) USER MOD Single : A 1 MET N :NH3+ 155:sc= -0.161 (180deg=-0.885) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -157:sc= -0.0854 (180deg=-0.635) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.8!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.759! USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= -0.0447 (180deg=-0.432) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0584) USER MOD Single : A 64 GLN : amide:sc= -1.44! C(o=-1.4!,f=-7.5!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.599 -0.069 -11.972 1.00 0.00 N ATOM 2 CA MET A 1 71.008 -0.311 -10.627 1.00 0.00 C ATOM 3 C MET A 1 71.149 -1.788 -10.271 1.00 0.00 C ATOM 4 O MET A 1 71.063 -2.656 -11.138 1.00 0.00 O ATOM 5 CB MET A 1 69.528 0.079 -10.636 1.00 0.00 C ATOM 6 CG MET A 1 68.856 -0.474 -11.896 1.00 0.00 C ATOM 7 SD MET A 1 67.093 -0.057 -11.874 1.00 0.00 S ATOM 8 CE MET A 1 67.249 1.728 -12.140 1.00 0.00 C ATOM 0 H1 MET A 1 71.159 0.771 -12.399 1.00 0.00 H new ATOM 0 H2 MET A 1 72.623 0.087 -11.878 1.00 0.00 H new ATOM 0 H3 MET A 1 71.429 -0.896 -12.580 1.00 0.00 H new ATOM 0 HA MET A 1 71.532 0.293 -9.886 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.034 -0.312 -9.747 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.428 1.164 -10.605 1.00 0.00 H new ATOM 0 HG2 MET A 1 69.328 -0.057 -12.786 1.00 0.00 H new ATOM 0 HG3 MET A 1 68.984 -1.555 -11.944 1.00 0.00 H new ATOM 0 HE1 MET A 1 66.270 2.148 -12.371 1.00 0.00 H new ATOM 0 HE2 MET A 1 67.642 2.197 -11.238 1.00 0.00 H new ATOM 0 HE3 MET A 1 67.929 1.914 -12.971 1.00 0.00 H new ATOM 20 N TYR A 2 71.357 -2.068 -8.984 1.00 0.00 N ATOM 21 CA TYR A 2 71.496 -3.449 -8.515 1.00 0.00 C ATOM 22 C TYR A 2 70.187 -3.888 -7.873 1.00 0.00 C ATOM 23 O TYR A 2 69.590 -3.136 -7.103 1.00 0.00 O ATOM 24 CB TYR A 2 72.646 -3.549 -7.496 1.00 0.00 C ATOM 25 CG TYR A 2 73.223 -4.959 -7.504 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.647 -5.973 -6.721 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.332 -5.252 -8.315 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.178 -7.268 -6.755 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.857 -6.549 -8.346 1.00 0.00 C ATOM 30 CZ TYR A 2 74.282 -7.556 -7.566 1.00 0.00 C ATOM 31 OH TYR A 2 74.798 -8.836 -7.602 1.00 0.00 O ATOM 0 H TYR A 2 71.433 -1.363 -8.251 1.00 0.00 H new ATOM 0 HA TYR A 2 71.726 -4.100 -9.358 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.425 -2.826 -7.741 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.283 -3.301 -6.499 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.796 -5.754 -6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.780 -4.475 -8.916 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.734 -8.047 -6.153 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.707 -6.772 -8.973 1.00 0.00 H new ATOM 0 HH TYR A 2 75.561 -8.864 -8.216 1.00 0.00 H new ATOM 41 N GLU A 3 69.731 -5.095 -8.209 1.00 0.00 N ATOM 42 CA GLU A 3 68.473 -5.610 -7.671 1.00 0.00 C ATOM 43 C GLU A 3 68.729 -6.777 -6.719 1.00 0.00 C ATOM 44 O GLU A 3 69.228 -7.824 -7.135 1.00 0.00 O ATOM 45 CB GLU A 3 67.585 -6.093 -8.820 1.00 0.00 C ATOM 46 CG GLU A 3 67.380 -4.969 -9.846 1.00 0.00 C ATOM 47 CD GLU A 3 68.572 -4.889 -10.798 1.00 0.00 C ATOM 48 OE1 GLU A 3 69.548 -5.582 -10.559 1.00 0.00 O ATOM 49 OE2 GLU A 3 68.494 -4.132 -11.750 1.00 0.00 O ATOM 0 H GLU A 3 70.211 -5.730 -8.847 1.00 0.00 H new ATOM 0 HA GLU A 3 67.979 -4.807 -7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.042 -6.956 -9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.621 -6.419 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.466 -5.148 -10.412 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.254 -4.017 -9.331 1.00 0.00 H new ATOM 56 N PHE A 4 68.372 -6.607 -5.448 1.00 0.00 N ATOM 57 CA PHE A 4 68.564 -7.686 -4.475 1.00 0.00 C ATOM 58 C PHE A 4 67.472 -8.736 -4.673 1.00 0.00 C ATOM 59 O PHE A 4 66.333 -8.563 -4.237 1.00 0.00 O ATOM 60 CB PHE A 4 68.555 -7.127 -3.027 1.00 0.00 C ATOM 61 CG PHE A 4 68.186 -8.201 -2.009 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.999 -9.337 -1.845 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.030 -8.062 -1.221 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.655 -10.318 -0.910 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.693 -9.046 -0.286 1.00 0.00 C ATOM 66 CZ PHE A 4 67.504 -10.174 -0.132 1.00 0.00 C ATOM 0 H PHE A 4 67.958 -5.755 -5.071 1.00 0.00 H new ATOM 0 HA PHE A 4 69.536 -8.153 -4.634 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.538 -6.721 -2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.845 -6.303 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.891 -9.452 -2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.400 -7.193 -1.338 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.281 -11.190 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 4 65.805 -8.934 0.318 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.241 -10.934 0.589 1.00 0.00 H new ATOM 76 N LYS A 5 67.837 -9.821 -5.353 1.00 0.00 N ATOM 77 CA LYS A 5 66.906 -10.914 -5.643 1.00 0.00 C ATOM 78 C LYS A 5 67.216 -12.119 -4.753 1.00 0.00 C ATOM 79 O LYS A 5 68.350 -12.283 -4.308 1.00 0.00 O ATOM 80 CB LYS A 5 67.055 -11.314 -7.121 1.00 0.00 C ATOM 81 CG LYS A 5 68.466 -11.857 -7.377 1.00 0.00 C ATOM 82 CD LYS A 5 68.632 -12.166 -8.865 1.00 0.00 C ATOM 83 CE LYS A 5 70.046 -12.694 -9.120 1.00 0.00 C ATOM 84 NZ LYS A 5 70.208 -13.004 -10.568 1.00 0.00 N ATOM 0 H LYS A 5 68.778 -9.969 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 5 65.886 -10.585 -5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 5 66.313 -12.070 -7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.867 -10.452 -7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 5 69.211 -11.127 -7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 5 68.633 -12.758 -6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.894 -12.904 -9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 5 68.455 -11.267 -9.456 1.00 0.00 H new ATOM 0 HE2 LYS A 5 70.783 -11.953 -8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 5 70.224 -13.589 -8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 71.169 -13.363 -10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 69.513 -13.725 -10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 70.055 -12.141 -11.127 1.00 0.00 H new ATOM 98 N LEU A 6 66.218 -12.978 -4.518 1.00 0.00 N ATOM 99 CA LEU A 6 66.437 -14.189 -3.695 1.00 0.00 C ATOM 100 C LEU A 6 66.793 -15.377 -4.613 1.00 0.00 C ATOM 101 O LEU A 6 65.922 -15.875 -5.327 1.00 0.00 O ATOM 102 CB LEU A 6 65.171 -14.549 -2.867 1.00 0.00 C ATOM 103 CG LEU A 6 65.191 -13.840 -1.494 1.00 0.00 C ATOM 104 CD1 LEU A 6 63.834 -14.046 -0.793 1.00 0.00 C ATOM 105 CD2 LEU A 6 66.322 -14.417 -0.602 1.00 0.00 C ATOM 0 H LEU A 6 65.268 -12.868 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 6 67.254 -13.984 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.276 -14.259 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.120 -15.628 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 6 65.372 -12.777 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 6 63.845 -13.547 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 6 63.039 -13.625 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.657 -15.112 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 6 66.322 -13.907 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 6 66.156 -15.483 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 6 67.284 -14.267 -1.092 1.00 0.00 H new ATOM 117 N PRO A 7 68.030 -15.844 -4.627 1.00 0.00 N ATOM 118 CA PRO A 7 68.432 -16.989 -5.503 1.00 0.00 C ATOM 119 C PRO A 7 68.028 -18.340 -4.909 1.00 0.00 C ATOM 120 O PRO A 7 67.826 -18.462 -3.700 1.00 0.00 O ATOM 121 CB PRO A 7 69.955 -16.846 -5.584 1.00 0.00 C ATOM 122 CG PRO A 7 70.349 -16.262 -4.268 1.00 0.00 C ATOM 123 CD PRO A 7 69.185 -15.360 -3.829 1.00 0.00 C ATOM 0 HA PRO A 7 67.944 -16.963 -6.477 1.00 0.00 H new ATOM 0 HB2 PRO A 7 70.435 -17.810 -5.750 1.00 0.00 H new ATOM 0 HB3 PRO A 7 70.249 -16.198 -6.409 1.00 0.00 H new ATOM 0 HG2 PRO A 7 70.531 -17.047 -3.534 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.272 -15.689 -4.358 1.00 0.00 H new ATOM 0 HD2 PRO A 7 68.995 -15.447 -2.759 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.397 -14.310 -4.031 1.00 0.00 H new ATOM 221 N GLU A 15 58.823 -20.967 -1.471 1.00 0.00 N ATOM 222 CA GLU A 15 58.143 -19.691 -1.234 1.00 0.00 C ATOM 223 C GLU A 15 58.985 -18.775 -0.353 1.00 0.00 C ATOM 224 O GLU A 15 59.681 -19.237 0.553 1.00 0.00 O ATOM 225 CB GLU A 15 56.765 -19.928 -0.617 1.00 0.00 C ATOM 226 CG GLU A 15 56.885 -20.556 0.779 1.00 0.00 C ATOM 227 CD GLU A 15 57.425 -21.976 0.666 1.00 0.00 C ATOM 228 OE1 GLU A 15 56.751 -22.794 0.062 1.00 0.00 O ATOM 229 OE2 GLU A 15 58.506 -22.223 1.174 1.00 0.00 O ATOM 0 HA GLU A 15 58.009 -19.193 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 15 56.226 -18.983 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 15 56.181 -20.582 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.547 -19.955 1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 15 55.911 -20.566 1.267 1.00 0.00 H new ATOM 236 N GLY A 16 58.917 -17.471 -0.624 1.00 0.00 N ATOM 237 CA GLY A 16 59.676 -16.488 0.149 1.00 0.00 C ATOM 238 C GLY A 16 58.746 -15.744 1.102 1.00 0.00 C ATOM 239 O GLY A 16 57.761 -15.152 0.665 1.00 0.00 O ATOM 0 H GLY A 16 58.347 -17.072 -1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.465 -16.987 0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.163 -15.781 -0.523 1.00 0.00 H new ATOM 243 N GLU A 17 59.051 -15.771 2.403 1.00 0.00 N ATOM 244 CA GLU A 17 58.216 -15.089 3.399 1.00 0.00 C ATOM 245 C GLU A 17 59.067 -14.145 4.240 1.00 0.00 C ATOM 246 O GLU A 17 60.197 -14.470 4.603 1.00 0.00 O ATOM 247 CB GLU A 17 57.542 -16.119 4.313 1.00 0.00 C ATOM 248 CG GLU A 17 56.579 -15.410 5.271 1.00 0.00 C ATOM 249 CD GLU A 17 55.920 -16.427 6.196 1.00 0.00 C ATOM 250 OE1 GLU A 17 56.369 -17.562 6.211 1.00 0.00 O ATOM 251 OE2 GLU A 17 54.979 -16.058 6.878 1.00 0.00 O ATOM 0 H GLU A 17 59.862 -16.253 2.790 1.00 0.00 H new ATOM 0 HA GLU A 17 57.451 -14.514 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.000 -16.851 3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.296 -16.665 4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.119 -14.668 5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.817 -14.875 4.704 1.00 0.00 H new ATOM 258 N ILE A 18 58.520 -12.969 4.542 1.00 0.00 N ATOM 259 CA ILE A 18 59.242 -11.970 5.338 1.00 0.00 C ATOM 260 C ILE A 18 58.745 -11.946 6.779 1.00 0.00 C ATOM 261 O ILE A 18 57.560 -11.728 7.036 1.00 0.00 O ATOM 262 CB ILE A 18 59.052 -10.588 4.707 1.00 0.00 C ATOM 263 CG1 ILE A 18 59.537 -10.615 3.242 1.00 0.00 C ATOM 264 CG2 ILE A 18 59.832 -9.538 5.500 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.072 -10.509 3.149 1.00 0.00 C ATOM 0 H ILE A 18 57.585 -12.683 4.251 1.00 0.00 H new ATOM 0 HA ILE A 18 60.299 -12.236 5.349 1.00 0.00 H new ATOM 0 HB ILE A 18 57.994 -10.327 4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.206 -11.538 2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.081 -9.792 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 18 59.691 -8.558 5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.470 -9.515 6.528 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.892 -9.791 5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 18 61.376 -10.531 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.400 -9.574 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 18 61.527 -11.347 3.677 1.00 0.00 H new ATOM 277 N VAL A 19 59.662 -12.181 7.720 1.00 0.00 N ATOM 278 CA VAL A 19 59.318 -12.192 9.137 1.00 0.00 C ATOM 279 C VAL A 19 59.531 -10.817 9.785 1.00 0.00 C ATOM 280 O VAL A 19 58.704 -10.382 10.587 1.00 0.00 O ATOM 281 CB VAL A 19 60.159 -13.241 9.865 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.634 -12.874 9.749 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.758 -13.289 11.340 1.00 0.00 C ATOM 0 H VAL A 19 60.646 -12.366 7.523 1.00 0.00 H new ATOM 0 HA VAL A 19 58.260 -12.441 9.221 1.00 0.00 H new ATOM 0 HB VAL A 19 59.989 -14.219 9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 19 62.236 -13.620 10.267 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.920 -12.843 8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.802 -11.896 10.199 1.00 0.00 H new ATOM 0 HG21 VAL A 19 60.359 -14.038 11.856 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.926 -12.313 11.795 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.703 -13.551 11.422 1.00 0.00 H new ATOM 293 N ARG A 20 60.645 -10.135 9.470 1.00 0.00 N ATOM 294 CA ARG A 20 60.905 -8.828 10.089 1.00 0.00 C ATOM 295 C ARG A 20 61.833 -7.941 9.246 1.00 0.00 C ATOM 296 O ARG A 20 62.887 -8.382 8.790 1.00 0.00 O ATOM 297 CB ARG A 20 61.541 -9.052 11.468 1.00 0.00 C ATOM 298 CG ARG A 20 61.726 -7.717 12.194 1.00 0.00 C ATOM 299 CD ARG A 20 62.352 -7.966 13.567 1.00 0.00 C ATOM 300 NE ARG A 20 62.392 -6.728 14.338 1.00 0.00 N ATOM 301 CZ ARG A 20 63.160 -6.617 15.415 1.00 0.00 C ATOM 302 NH1 ARG A 20 63.885 -7.628 15.807 1.00 0.00 N ATOM 303 NH2 ARG A 20 63.194 -5.491 16.077 1.00 0.00 N ATOM 0 H ARG A 20 61.357 -10.454 8.813 1.00 0.00 H new ATOM 0 HA ARG A 20 59.950 -8.309 10.170 1.00 0.00 H new ATOM 0 HB2 ARG A 20 60.911 -9.713 12.063 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.505 -9.548 11.355 1.00 0.00 H new ATOM 0 HG2 ARG A 20 62.363 -7.056 11.606 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.765 -7.216 12.306 1.00 0.00 H new ATOM 0 HD2 ARG A 20 61.776 -8.719 14.105 1.00 0.00 H new ATOM 0 HD3 ARG A 20 63.361 -8.361 13.448 1.00 0.00 H new ATOM 0 HE ARG A 20 61.821 -5.935 14.045 1.00 0.00 H new ATOM 0 HH11 ARG A 20 63.862 -8.505 15.286 1.00 0.00 H new ATOM 0 HH12 ARG A 20 64.475 -7.542 16.635 1.00 0.00 H new ATOM 0 HH21 ARG A 20 62.631 -4.699 15.766 1.00 0.00 H new ATOM 0 HH22 ARG A 20 63.783 -5.404 16.905 1.00 0.00 H new ATOM 317 N TRP A 21 61.441 -6.666 9.090 1.00 0.00 N ATOM 318 CA TRP A 21 62.252 -5.679 8.357 1.00 0.00 C ATOM 319 C TRP A 21 62.972 -4.792 9.378 1.00 0.00 C ATOM 320 O TRP A 21 62.357 -4.328 10.338 1.00 0.00 O ATOM 321 CB TRP A 21 61.376 -4.748 7.483 1.00 0.00 C ATOM 322 CG TRP A 21 60.915 -5.406 6.217 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.627 -5.699 5.933 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.697 -5.802 5.042 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.564 -6.262 4.671 1.00 0.00 N ATOM 326 CE2 TRP A 21 60.815 -6.349 4.082 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.065 -5.743 4.720 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.268 -6.820 2.847 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.530 -6.216 3.480 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.634 -6.751 2.545 1.00 0.00 C ATOM 0 H TRP A 21 60.567 -6.294 9.462 1.00 0.00 H new ATOM 0 HA TRP A 21 62.944 -6.225 7.715 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.507 -4.428 8.058 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.942 -3.850 7.235 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.784 -5.522 6.585 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.701 -6.575 4.228 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.765 -5.331 5.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.572 -7.233 2.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.583 -6.167 3.247 1.00 0.00 H new ATOM 0 HH2 TRP A 21 62.996 -7.110 1.593 1.00 0.00 H new ATOM 341 N ASP A 22 64.266 -4.547 9.172 1.00 0.00 N ATOM 342 CA ASP A 22 65.037 -3.696 10.090 1.00 0.00 C ATOM 343 C ASP A 22 65.323 -2.337 9.469 1.00 0.00 C ATOM 344 O ASP A 22 65.958 -1.485 10.089 1.00 0.00 O ATOM 345 CB ASP A 22 66.356 -4.371 10.441 1.00 0.00 C ATOM 346 CG ASP A 22 67.080 -4.781 9.164 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.458 -4.738 8.115 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.244 -5.123 9.249 1.00 0.00 O ATOM 0 H ASP A 22 64.801 -4.919 8.388 1.00 0.00 H new ATOM 0 HA ASP A 22 64.442 -3.551 10.991 1.00 0.00 H new ATOM 0 HB2 ASP A 22 66.980 -3.692 11.022 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.173 -5.247 11.064 1.00 0.00 H new ATOM 353 N VAL A 23 64.862 -2.135 8.237 1.00 0.00 N ATOM 354 CA VAL A 23 65.082 -0.868 7.540 1.00 0.00 C ATOM 355 C VAL A 23 63.802 -0.429 6.836 1.00 0.00 C ATOM 356 O VAL A 23 62.908 -1.243 6.602 1.00 0.00 O ATOM 357 CB VAL A 23 66.217 -1.027 6.526 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.505 -1.417 7.259 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.864 -2.128 5.527 1.00 0.00 C ATOM 0 H VAL A 23 64.337 -2.827 7.702 1.00 0.00 H new ATOM 0 HA VAL A 23 65.360 -0.104 8.266 1.00 0.00 H new ATOM 0 HB VAL A 23 66.360 -0.084 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.314 -1.531 6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.765 -0.639 7.977 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.353 -2.359 7.785 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.674 -2.239 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 23 65.720 -3.069 6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.946 -1.863 5.003 1.00 0.00 H new ATOM 369 N LYS A 24 63.710 0.861 6.507 1.00 0.00 N ATOM 370 CA LYS A 24 62.519 1.393 5.838 1.00 0.00 C ATOM 371 C LYS A 24 62.906 2.397 4.755 1.00 0.00 C ATOM 372 O LYS A 24 63.977 3.002 4.808 1.00 0.00 O ATOM 373 CB LYS A 24 61.614 2.080 6.862 1.00 0.00 C ATOM 374 CG LYS A 24 61.034 1.039 7.821 1.00 0.00 C ATOM 375 CD LYS A 24 60.158 1.741 8.862 1.00 0.00 C ATOM 376 CE LYS A 24 59.586 0.700 9.827 1.00 0.00 C ATOM 377 NZ LYS A 24 58.764 1.382 10.867 1.00 0.00 N ATOM 0 H LYS A 24 64.438 1.552 6.690 1.00 0.00 H new ATOM 0 HA LYS A 24 61.989 0.562 5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 24 62.181 2.826 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 24 60.808 2.608 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 24 60.445 0.307 7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 24 61.839 0.494 8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 24 60.745 2.478 9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 24 59.349 2.280 8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 24 58.976 -0.020 9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 24 60.395 0.141 10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 58.376 0.674 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 59.358 2.053 11.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 57.983 1.896 10.411 1.00 0.00 H new ATOM 391 N GLU A 25 62.023 2.566 3.777 1.00 0.00 N ATOM 392 CA GLU A 25 62.271 3.498 2.679 1.00 0.00 C ATOM 393 C GLU A 25 62.674 4.875 3.207 1.00 0.00 C ATOM 394 O GLU A 25 62.058 5.399 4.136 1.00 0.00 O ATOM 395 CB GLU A 25 61.007 3.634 1.825 1.00 0.00 C ATOM 396 CG GLU A 25 61.296 4.527 0.617 1.00 0.00 C ATOM 397 CD GLU A 25 60.058 4.627 -0.270 1.00 0.00 C ATOM 398 OE1 GLU A 25 59.150 3.837 -0.074 1.00 0.00 O ATOM 399 OE2 GLU A 25 60.038 5.490 -1.130 1.00 0.00 O ATOM 0 H GLU A 25 61.132 2.073 3.720 1.00 0.00 H new ATOM 0 HA GLU A 25 63.089 3.104 2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.674 2.651 1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.199 4.060 2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 25 61.594 5.520 0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 25 62.130 4.120 0.046 1.00 0.00 H new ATOM 406 N GLY A 26 63.703 5.468 2.594 1.00 0.00 N ATOM 407 CA GLY A 26 64.172 6.800 2.988 1.00 0.00 C ATOM 408 C GLY A 26 65.287 6.752 4.033 1.00 0.00 C ATOM 409 O GLY A 26 65.727 7.799 4.511 1.00 0.00 O ATOM 0 H GLY A 26 64.226 5.048 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.531 7.329 2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.333 7.373 3.384 1.00 0.00 H new ATOM 413 N ASP A 27 65.757 5.551 4.383 1.00 0.00 N ATOM 414 CA ASP A 27 66.833 5.413 5.376 1.00 0.00 C ATOM 415 C ASP A 27 68.102 4.842 4.732 1.00 0.00 C ATOM 416 O ASP A 27 68.035 4.155 3.714 1.00 0.00 O ATOM 417 CB ASP A 27 66.369 4.509 6.521 1.00 0.00 C ATOM 418 CG ASP A 27 66.274 3.058 6.055 1.00 0.00 C ATOM 419 OD1 ASP A 27 66.448 2.820 4.871 1.00 0.00 O ATOM 420 OD2 ASP A 27 66.020 2.207 6.892 1.00 0.00 O ATOM 0 H ASP A 27 65.416 4.669 4.001 1.00 0.00 H new ATOM 0 HA ASP A 27 67.069 6.401 5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 27 67.066 4.584 7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.398 4.844 6.885 1.00 0.00 H new ATOM 425 N MET A 28 69.261 5.151 5.324 1.00 0.00 N ATOM 426 CA MET A 28 70.551 4.682 4.798 1.00 0.00 C ATOM 427 C MET A 28 71.219 3.710 5.771 1.00 0.00 C ATOM 428 O MET A 28 71.056 3.826 6.985 1.00 0.00 O ATOM 429 CB MET A 28 71.480 5.877 4.574 1.00 0.00 C ATOM 430 CG MET A 28 70.927 6.759 3.453 1.00 0.00 C ATOM 431 SD MET A 28 72.063 8.137 3.154 1.00 0.00 S ATOM 432 CE MET A 28 71.704 9.086 4.656 1.00 0.00 C ATOM 0 H MET A 28 69.334 5.722 6.166 1.00 0.00 H new ATOM 0 HA MET A 28 70.366 4.166 3.856 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.572 6.456 5.493 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.480 5.529 4.316 1.00 0.00 H new ATOM 0 HG2 MET A 28 70.802 6.173 2.543 1.00 0.00 H new ATOM 0 HG3 MET A 28 69.942 7.138 3.726 1.00 0.00 H new ATOM 0 HE1 MET A 28 71.966 10.132 4.497 1.00 0.00 H new ATOM 0 HE2 MET A 28 70.642 9.010 4.890 1.00 0.00 H new ATOM 0 HE3 MET A 28 72.288 8.688 5.486 1.00 0.00 H new ATOM 442 N VAL A 29 71.984 2.754 5.229 1.00 0.00 N ATOM 443 CA VAL A 29 72.684 1.767 6.065 1.00 0.00 C ATOM 444 C VAL A 29 74.093 1.504 5.527 1.00 0.00 C ATOM 445 O VAL A 29 74.346 1.628 4.328 1.00 0.00 O ATOM 446 CB VAL A 29 71.884 0.453 6.138 1.00 0.00 C ATOM 447 CG1 VAL A 29 72.068 -0.370 4.857 1.00 0.00 C ATOM 448 CG2 VAL A 29 72.360 -0.368 7.342 1.00 0.00 C ATOM 0 H VAL A 29 72.134 2.642 4.226 1.00 0.00 H new ATOM 0 HA VAL A 29 72.771 2.175 7.072 1.00 0.00 H new ATOM 0 HB VAL A 29 70.827 0.697 6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.494 -1.293 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 29 71.718 0.207 4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 29 73.123 -0.609 4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 29 71.794 -1.298 7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 29 73.421 -0.594 7.232 1.00 0.00 H new ATOM 0 HG23 VAL A 29 72.204 0.204 8.257 1.00 0.00 H new ATOM 458 N GLU A 30 75.008 1.161 6.432 1.00 0.00 N ATOM 459 CA GLU A 30 76.402 0.898 6.064 1.00 0.00 C ATOM 460 C GLU A 30 76.619 -0.578 5.721 1.00 0.00 C ATOM 461 O GLU A 30 75.834 -1.441 6.115 1.00 0.00 O ATOM 462 CB GLU A 30 77.317 1.296 7.231 1.00 0.00 C ATOM 463 CG GLU A 30 77.218 2.806 7.475 1.00 0.00 C ATOM 464 CD GLU A 30 77.752 3.569 6.268 1.00 0.00 C ATOM 465 OE1 GLU A 30 78.501 2.978 5.506 1.00 0.00 O ATOM 466 OE2 GLU A 30 77.407 4.729 6.120 1.00 0.00 O ATOM 0 H GLU A 30 74.811 1.058 7.427 1.00 0.00 H new ATOM 0 HA GLU A 30 76.642 1.488 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 30 77.030 0.753 8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 30 78.348 1.021 7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 30 76.181 3.085 7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 30 77.785 3.076 8.366 1.00 0.00 H new ATOM 473 N LYS A 31 77.695 -0.849 4.981 1.00 0.00 N ATOM 474 CA LYS A 31 78.030 -2.213 4.573 1.00 0.00 C ATOM 475 C LYS A 31 78.287 -3.100 5.789 1.00 0.00 C ATOM 476 O LYS A 31 78.964 -2.689 6.731 1.00 0.00 O ATOM 477 CB LYS A 31 79.286 -2.191 3.690 1.00 0.00 C ATOM 478 CG LYS A 31 79.572 -3.590 3.142 1.00 0.00 C ATOM 479 CD LYS A 31 80.793 -3.533 2.222 1.00 0.00 C ATOM 480 CE LYS A 31 81.084 -4.928 1.666 1.00 0.00 C ATOM 481 NZ LYS A 31 82.258 -4.859 0.748 1.00 0.00 N ATOM 0 H LYS A 31 78.350 -0.140 4.652 1.00 0.00 H new ATOM 0 HA LYS A 31 77.187 -2.621 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 31 79.148 -1.491 2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 31 80.140 -1.838 4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.753 -4.284 3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.706 -3.962 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.612 -2.835 1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.658 -3.162 2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 31 81.286 -5.622 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 31 80.213 -5.308 1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.458 -5.806 0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 82.048 -4.209 -0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 83.088 -4.513 1.271 1.00 0.00 H new ATOM 495 N ASP A 32 77.746 -4.319 5.752 1.00 0.00 N ATOM 496 CA ASP A 32 77.922 -5.273 6.845 1.00 0.00 C ATOM 497 C ASP A 32 77.368 -4.735 8.163 1.00 0.00 C ATOM 498 O ASP A 32 77.929 -4.987 9.228 1.00 0.00 O ATOM 499 CB ASP A 32 79.405 -5.629 7.017 1.00 0.00 C ATOM 500 CG ASP A 32 79.875 -6.490 5.845 1.00 0.00 C ATOM 501 OD1 ASP A 32 79.028 -7.002 5.135 1.00 0.00 O ATOM 502 OD2 ASP A 32 81.077 -6.621 5.679 1.00 0.00 O ATOM 0 H ASP A 32 77.183 -4.668 4.976 1.00 0.00 H new ATOM 0 HA ASP A 32 77.361 -6.170 6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 32 80.002 -4.719 7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.553 -6.165 7.955 1.00 0.00 H new ATOM 507 N GLN A 33 76.256 -4.000 8.090 1.00 0.00 N ATOM 508 CA GLN A 33 75.633 -3.442 9.294 1.00 0.00 C ATOM 509 C GLN A 33 74.113 -3.429 9.139 1.00 0.00 C ATOM 510 O GLN A 33 73.543 -2.425 8.705 1.00 0.00 O ATOM 511 CB GLN A 33 76.130 -2.009 9.514 1.00 0.00 C ATOM 512 CG GLN A 33 75.523 -1.435 10.797 1.00 0.00 C ATOM 513 CD GLN A 33 76.095 -0.046 11.059 1.00 0.00 C ATOM 514 OE1 GLN A 33 77.106 0.329 10.466 1.00 0.00 O ATOM 515 NE2 GLN A 33 75.508 0.741 11.919 1.00 0.00 N ATOM 0 H GLN A 33 75.772 -3.779 7.220 1.00 0.00 H new ATOM 0 HA GLN A 33 75.903 -4.060 10.150 1.00 0.00 H new ATOM 0 HB2 GLN A 33 77.218 -1.999 9.581 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.857 -1.386 8.662 1.00 0.00 H new ATOM 0 HG2 GLN A 33 74.438 -1.381 10.705 1.00 0.00 H new ATOM 0 HG3 GLN A 33 75.739 -2.093 11.639 1.00 0.00 H new ATOM 0 HE21 GLN A 33 74.670 0.427 12.409 1.00 0.00 H new ATOM 0 HE22 GLN A 33 75.887 1.670 12.101 1.00 0.00 H new ATOM 524 N ASP A 34 73.458 -4.545 9.483 1.00 0.00 N ATOM 525 CA ASP A 34 72.005 -4.641 9.361 1.00 0.00 C ATOM 526 C ASP A 34 71.530 -5.986 9.910 1.00 0.00 C ATOM 527 O ASP A 34 72.316 -6.924 10.035 1.00 0.00 O ATOM 528 CB ASP A 34 71.589 -4.509 7.882 1.00 0.00 C ATOM 529 CG ASP A 34 70.140 -4.037 7.764 1.00 0.00 C ATOM 530 OD1 ASP A 34 69.688 -3.332 8.652 1.00 0.00 O ATOM 531 OD2 ASP A 34 69.505 -4.382 6.781 1.00 0.00 O ATOM 0 H ASP A 34 73.910 -5.385 9.844 1.00 0.00 H new ATOM 0 HA ASP A 34 71.547 -3.834 9.933 1.00 0.00 H new ATOM 0 HB2 ASP A 34 72.248 -3.803 7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 34 71.705 -5.470 7.380 1.00 0.00 H new ATOM 536 N LEU A 35 70.240 -6.070 10.228 1.00 0.00 N ATOM 537 CA LEU A 35 69.652 -7.305 10.755 1.00 0.00 C ATOM 538 C LEU A 35 68.336 -7.593 10.050 1.00 0.00 C ATOM 539 O LEU A 35 67.273 -7.177 10.498 1.00 0.00 O ATOM 540 CB LEU A 35 69.409 -7.169 12.261 1.00 0.00 C ATOM 541 CG LEU A 35 70.748 -7.056 12.999 1.00 0.00 C ATOM 542 CD1 LEU A 35 70.490 -6.598 14.436 1.00 0.00 C ATOM 543 CD2 LEU A 35 71.478 -8.415 13.014 1.00 0.00 C ATOM 0 H LEU A 35 69.580 -5.299 10.131 1.00 0.00 H new ATOM 0 HA LEU A 35 70.344 -8.129 10.577 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.798 -6.289 12.461 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.854 -8.032 12.628 1.00 0.00 H new ATOM 0 HG LEU A 35 71.377 -6.331 12.482 1.00 0.00 H new ATOM 0 HD11 LEU A 35 71.438 -6.515 14.967 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.994 -5.627 14.425 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.853 -7.325 14.941 1.00 0.00 H new ATOM 0 HD21 LEU A 35 72.426 -8.313 13.542 1.00 0.00 H new ATOM 0 HD22 LEU A 35 70.858 -9.155 13.520 1.00 0.00 H new ATOM 0 HD23 LEU A 35 71.666 -8.738 11.990 1.00 0.00 H new ATOM 555 N VAL A 36 68.424 -8.309 8.939 1.00 0.00 N ATOM 556 CA VAL A 36 67.243 -8.665 8.143 1.00 0.00 C ATOM 557 C VAL A 36 67.083 -10.183 8.178 1.00 0.00 C ATOM 558 O VAL A 36 68.033 -10.922 7.926 1.00 0.00 O ATOM 559 CB VAL A 36 67.400 -8.138 6.672 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.784 -7.504 6.498 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.248 -9.273 5.640 1.00 0.00 C ATOM 0 H VAL A 36 69.304 -8.660 8.561 1.00 0.00 H new ATOM 0 HA VAL A 36 66.349 -8.200 8.558 1.00 0.00 H new ATOM 0 HB VAL A 36 66.613 -7.403 6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 36 68.891 -7.139 5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 36 68.893 -6.672 7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.554 -8.249 6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.363 -8.868 4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 36 68.012 -10.030 5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.261 -9.725 5.739 1.00 0.00 H new ATOM 571 N GLU A 37 65.875 -10.638 8.491 1.00 0.00 N ATOM 572 CA GLU A 37 65.592 -12.070 8.555 1.00 0.00 C ATOM 573 C GLU A 37 64.649 -12.480 7.432 1.00 0.00 C ATOM 574 O GLU A 37 63.559 -11.929 7.292 1.00 0.00 O ATOM 575 CB GLU A 37 64.962 -12.415 9.905 1.00 0.00 C ATOM 576 CG GLU A 37 66.010 -12.275 11.011 1.00 0.00 C ATOM 577 CD GLU A 37 65.371 -12.531 12.371 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.177 -12.778 12.405 1.00 0.00 O ATOM 579 OE2 GLU A 37 66.088 -12.487 13.357 1.00 0.00 O ATOM 0 H GLU A 37 65.077 -10.039 8.704 1.00 0.00 H new ATOM 0 HA GLU A 37 66.530 -12.613 8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.118 -11.754 10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.572 -13.433 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.824 -12.981 10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.445 -11.276 10.987 1.00 0.00 H new ATOM 586 N VAL A 38 65.076 -13.459 6.637 1.00 0.00 N ATOM 587 CA VAL A 38 64.266 -13.965 5.533 1.00 0.00 C ATOM 588 C VAL A 38 64.038 -15.457 5.727 1.00 0.00 C ATOM 589 O VAL A 38 64.976 -16.206 6.007 1.00 0.00 O ATOM 590 CB VAL A 38 64.956 -13.705 4.186 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.876 -12.217 3.850 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.427 -14.132 4.244 1.00 0.00 C ATOM 0 H VAL A 38 65.981 -13.918 6.738 1.00 0.00 H new ATOM 0 HA VAL A 38 63.308 -13.444 5.526 1.00 0.00 H new ATOM 0 HB VAL A 38 64.449 -14.287 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.366 -12.033 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 38 63.831 -11.914 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.374 -11.641 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.900 -13.940 3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.940 -13.564 5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.488 -15.196 4.473 1.00 0.00 H new ATOM 602 N MET A 39 62.780 -15.879 5.605 1.00 0.00 N ATOM 603 CA MET A 39 62.423 -17.286 5.787 1.00 0.00 C ATOM 604 C MET A 39 62.218 -17.968 4.440 1.00 0.00 C ATOM 605 O MET A 39 61.398 -17.537 3.630 1.00 0.00 O ATOM 606 CB MET A 39 61.141 -17.388 6.620 1.00 0.00 C ATOM 607 CG MET A 39 60.802 -18.859 6.870 1.00 0.00 C ATOM 608 SD MET A 39 59.340 -18.973 7.930 1.00 0.00 S ATOM 609 CE MET A 39 60.206 -19.015 9.518 1.00 0.00 C ATOM 0 H MET A 39 61.993 -15.269 5.382 1.00 0.00 H new ATOM 0 HA MET A 39 63.238 -17.788 6.308 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.271 -16.869 7.569 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.318 -16.899 6.099 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.618 -19.366 5.923 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.646 -19.362 7.342 1.00 0.00 H new ATOM 0 HE1 MET A 39 59.479 -19.086 10.327 1.00 0.00 H new ATOM 0 HE2 MET A 39 60.868 -19.880 9.549 1.00 0.00 H new ATOM 0 HE3 MET A 39 60.793 -18.104 9.636 1.00 0.00 H new ATOM 619 N THR A 40 62.970 -19.039 4.214 1.00 0.00 N ATOM 620 CA THR A 40 62.874 -19.790 2.964 1.00 0.00 C ATOM 621 C THR A 40 61.795 -20.865 3.070 1.00 0.00 C ATOM 622 O THR A 40 60.629 -20.618 2.758 1.00 0.00 O ATOM 623 CB THR A 40 64.229 -20.445 2.644 1.00 0.00 C ATOM 624 OG1 THR A 40 64.013 -21.650 1.928 1.00 0.00 O ATOM 625 CG2 THR A 40 64.975 -20.758 3.944 1.00 0.00 C ATOM 0 H THR A 40 63.652 -19.408 4.877 1.00 0.00 H new ATOM 0 HA THR A 40 62.606 -19.101 2.163 1.00 0.00 H new ATOM 0 HB THR A 40 64.825 -19.759 2.041 1.00 0.00 H new ATOM 0 HG1 THR A 40 64.875 -22.067 1.722 1.00 0.00 H new ATOM 0 HG21 THR A 40 65.934 -21.222 3.711 1.00 0.00 H new ATOM 0 HG22 THR A 40 65.144 -19.835 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 40 64.379 -21.441 4.550 1.00 0.00 H new ATOM 633 N ASP A 41 62.187 -22.058 3.512 1.00 0.00 N ATOM 634 CA ASP A 41 61.236 -23.172 3.655 1.00 0.00 C ATOM 635 C ASP A 41 60.724 -23.265 5.092 1.00 0.00 C ATOM 636 O ASP A 41 59.556 -22.985 5.360 1.00 0.00 O ATOM 637 CB ASP A 41 61.919 -24.479 3.244 1.00 0.00 C ATOM 638 CG ASP A 41 63.247 -24.634 3.980 1.00 0.00 C ATOM 639 OD1 ASP A 41 63.674 -23.671 4.593 1.00 0.00 O ATOM 640 OD2 ASP A 41 63.812 -25.713 3.924 1.00 0.00 O ATOM 0 H ASP A 41 63.146 -22.283 3.777 1.00 0.00 H new ATOM 0 HA ASP A 41 60.379 -22.994 3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 41 61.269 -25.324 3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 41 62.089 -24.486 2.167 1.00 0.00 H new ATOM 645 N LYS A 42 61.603 -23.649 6.017 1.00 0.00 N ATOM 646 CA LYS A 42 61.227 -23.765 7.430 1.00 0.00 C ATOM 647 C LYS A 42 62.419 -23.466 8.340 1.00 0.00 C ATOM 648 O LYS A 42 62.638 -24.155 9.337 1.00 0.00 O ATOM 649 CB LYS A 42 60.700 -25.172 7.722 1.00 0.00 C ATOM 650 CG LYS A 42 61.764 -26.210 7.358 1.00 0.00 C ATOM 651 CD LYS A 42 61.219 -27.613 7.627 1.00 0.00 C ATOM 652 CE LYS A 42 62.334 -28.641 7.432 1.00 0.00 C ATOM 653 NZ LYS A 42 62.845 -28.564 6.033 1.00 0.00 N ATOM 0 H LYS A 42 62.575 -23.884 5.818 1.00 0.00 H new ATOM 0 HA LYS A 42 60.443 -23.035 7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 42 60.438 -25.261 8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.790 -25.355 7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 42 62.041 -26.111 6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 42 62.668 -26.041 7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 42 60.828 -27.674 8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 42 60.390 -27.828 6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 42 63.144 -28.452 8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 42 61.959 -29.643 7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 63.410 -29.412 5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 62.043 -28.510 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 63.439 -27.717 5.926 1.00 0.00 H new ATOM 667 N VAL A 43 63.175 -22.422 8.005 1.00 0.00 N ATOM 668 CA VAL A 43 64.331 -22.032 8.817 1.00 0.00 C ATOM 669 C VAL A 43 64.615 -20.542 8.665 1.00 0.00 C ATOM 670 O VAL A 43 64.319 -19.944 7.630 1.00 0.00 O ATOM 671 CB VAL A 43 65.576 -22.850 8.431 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.858 -22.726 6.929 1.00 0.00 C ATOM 673 CG2 VAL A 43 66.785 -22.337 9.220 1.00 0.00 C ATOM 0 H VAL A 43 63.012 -21.835 7.187 1.00 0.00 H new ATOM 0 HA VAL A 43 64.093 -22.239 9.860 1.00 0.00 H new ATOM 0 HB VAL A 43 65.394 -23.898 8.668 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.742 -23.311 6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 43 65.002 -23.099 6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 43 66.031 -21.680 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 43 67.668 -22.915 8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 43 66.953 -21.286 8.986 1.00 0.00 H new ATOM 0 HG23 VAL A 43 66.595 -22.445 10.288 1.00 0.00 H new ATOM 683 N THR A 44 65.185 -19.947 9.713 1.00 0.00 N ATOM 684 CA THR A 44 65.507 -18.516 9.701 1.00 0.00 C ATOM 685 C THR A 44 66.987 -18.315 9.390 1.00 0.00 C ATOM 686 O THR A 44 67.856 -18.751 10.144 1.00 0.00 O ATOM 687 CB THR A 44 65.193 -17.894 11.066 1.00 0.00 C ATOM 688 OG1 THR A 44 63.919 -18.340 11.509 1.00 0.00 O ATOM 689 CG2 THR A 44 65.183 -16.366 10.958 1.00 0.00 C ATOM 0 H THR A 44 65.433 -20.429 10.577 1.00 0.00 H new ATOM 0 HA THR A 44 64.904 -18.032 8.933 1.00 0.00 H new ATOM 0 HB THR A 44 65.959 -18.199 11.779 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.719 -17.943 12.383 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.959 -15.934 11.933 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.160 -16.019 10.623 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.423 -16.057 10.241 1.00 0.00 H new ATOM 697 N VAL A 45 67.262 -17.645 8.275 1.00 0.00 N ATOM 698 CA VAL A 45 68.642 -17.372 7.859 1.00 0.00 C ATOM 699 C VAL A 45 68.891 -15.869 7.812 1.00 0.00 C ATOM 700 O VAL A 45 68.075 -15.107 7.290 1.00 0.00 O ATOM 701 CB VAL A 45 68.916 -17.986 6.484 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.724 -19.502 6.554 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.953 -17.401 5.447 1.00 0.00 C ATOM 0 H VAL A 45 66.551 -17.280 7.641 1.00 0.00 H new ATOM 0 HA VAL A 45 69.317 -17.822 8.587 1.00 0.00 H new ATOM 0 HB VAL A 45 69.941 -17.758 6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.919 -19.939 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.416 -19.923 7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.700 -19.726 6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.156 -17.844 4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.926 -17.621 5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.091 -16.321 5.391 1.00 0.00 H new ATOM 713 N LYS A 46 70.022 -15.444 8.375 1.00 0.00 N ATOM 714 CA LYS A 46 70.371 -14.022 8.407 1.00 0.00 C ATOM 715 C LYS A 46 71.325 -13.669 7.269 1.00 0.00 C ATOM 716 O LYS A 46 72.305 -14.372 7.019 1.00 0.00 O ATOM 717 CB LYS A 46 71.021 -13.677 9.751 1.00 0.00 C ATOM 718 CG LYS A 46 69.982 -13.801 10.870 1.00 0.00 C ATOM 719 CD LYS A 46 70.636 -13.464 12.211 1.00 0.00 C ATOM 720 CE LYS A 46 69.616 -13.628 13.339 1.00 0.00 C ATOM 721 NZ LYS A 46 70.254 -13.288 14.640 1.00 0.00 N ATOM 0 H LYS A 46 70.709 -16.058 8.813 1.00 0.00 H new ATOM 0 HA LYS A 46 69.457 -13.442 8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.860 -14.346 9.944 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.422 -12.664 9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 46 69.146 -13.127 10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.577 -14.813 10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.491 -14.117 12.384 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.014 -12.442 12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 46 68.757 -12.981 13.163 1.00 0.00 H new ATOM 0 HE3 LYS A 46 69.244 -14.652 13.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 69.560 -13.400 15.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.060 -13.923 14.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 70.588 -12.303 14.616 1.00 0.00 H new ATOM 735 N ILE A 47 71.025 -12.561 6.588 1.00 0.00 N ATOM 736 CA ILE A 47 71.844 -12.085 5.471 1.00 0.00 C ATOM 737 C ILE A 47 72.020 -10.564 5.569 1.00 0.00 C ATOM 738 O ILE A 47 71.267 -9.808 4.957 1.00 0.00 O ATOM 739 CB ILE A 47 71.157 -12.427 4.142 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.999 -13.948 4.018 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.004 -11.906 2.976 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.126 -14.286 2.803 1.00 0.00 C ATOM 0 H ILE A 47 70.216 -11.974 6.792 1.00 0.00 H new ATOM 0 HA ILE A 47 72.819 -12.570 5.514 1.00 0.00 H new ATOM 0 HB ILE A 47 70.174 -11.957 4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.978 -14.417 3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.547 -14.350 4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.514 -12.150 2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.112 -10.825 3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.989 -12.372 3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 47 70.019 -15.368 2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.143 -13.832 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.596 -13.899 1.899 1.00 0.00 H new ATOM 754 N PRO A 48 72.995 -10.109 6.322 1.00 0.00 N ATOM 755 CA PRO A 48 73.270 -8.646 6.494 1.00 0.00 C ATOM 756 C PRO A 48 73.491 -7.933 5.154 1.00 0.00 C ATOM 757 O PRO A 48 74.108 -8.483 4.244 1.00 0.00 O ATOM 758 CB PRO A 48 74.547 -8.620 7.358 1.00 0.00 C ATOM 759 CG PRO A 48 74.580 -9.943 8.054 1.00 0.00 C ATOM 760 CD PRO A 48 73.932 -10.938 7.095 1.00 0.00 C ATOM 0 HA PRO A 48 72.431 -8.120 6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.435 -8.477 6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 48 74.520 -7.799 8.075 1.00 0.00 H new ATOM 0 HG2 PRO A 48 75.604 -10.236 8.287 1.00 0.00 H new ATOM 0 HG3 PRO A 48 74.037 -9.901 8.998 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.671 -11.415 6.451 1.00 0.00 H new ATOM 0 HD3 PRO A 48 73.415 -11.734 7.631 1.00 0.00 H new ATOM 768 N SER A 49 72.973 -6.706 5.050 1.00 0.00 N ATOM 769 CA SER A 49 73.099 -5.910 3.828 1.00 0.00 C ATOM 770 C SER A 49 74.461 -6.130 3.147 1.00 0.00 C ATOM 771 O SER A 49 75.457 -5.554 3.581 1.00 0.00 O ATOM 772 CB SER A 49 72.948 -4.426 4.168 1.00 0.00 C ATOM 773 OG SER A 49 73.077 -3.664 2.974 1.00 0.00 O ATOM 0 H SER A 49 72.461 -6.242 5.800 1.00 0.00 H new ATOM 0 HA SER A 49 72.315 -6.227 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 49 71.978 -4.242 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 49 73.707 -4.126 4.891 1.00 0.00 H new ATOM 0 HG SER A 49 72.980 -2.711 3.182 1.00 0.00 H new ATOM 779 N PRO A 50 74.551 -6.945 2.108 1.00 0.00 N ATOM 780 CA PRO A 50 75.865 -7.189 1.427 1.00 0.00 C ATOM 781 C PRO A 50 76.404 -5.969 0.660 1.00 0.00 C ATOM 782 O PRO A 50 77.605 -5.889 0.396 1.00 0.00 O ATOM 783 CB PRO A 50 75.583 -8.377 0.487 1.00 0.00 C ATOM 784 CG PRO A 50 74.111 -8.336 0.221 1.00 0.00 C ATOM 785 CD PRO A 50 73.458 -7.727 1.467 1.00 0.00 C ATOM 0 HA PRO A 50 76.651 -7.394 2.153 1.00 0.00 H new ATOM 0 HB2 PRO A 50 76.152 -8.288 -0.439 1.00 0.00 H new ATOM 0 HB3 PRO A 50 75.872 -9.321 0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 50 73.893 -7.736 -0.663 1.00 0.00 H new ATOM 0 HG3 PRO A 50 73.724 -9.337 0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 50 72.614 -7.089 1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 50 73.077 -8.500 2.135 1.00 0.00 H new ATOM 793 N VAL A 51 75.530 -5.027 0.288 1.00 0.00 N ATOM 794 CA VAL A 51 75.962 -3.837 -0.461 1.00 0.00 C ATOM 795 C VAL A 51 75.344 -2.557 0.124 1.00 0.00 C ATOM 796 O VAL A 51 74.122 -2.423 0.164 1.00 0.00 O ATOM 797 CB VAL A 51 75.533 -3.996 -1.931 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.362 -3.069 -2.828 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.752 -5.450 -2.362 1.00 0.00 C ATOM 0 H VAL A 51 74.531 -5.062 0.489 1.00 0.00 H new ATOM 0 HA VAL A 51 77.046 -3.749 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 51 74.480 -3.732 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.049 -3.191 -3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.209 -2.034 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.418 -3.322 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.450 -5.570 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.807 -5.705 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 51 75.155 -6.110 -1.732 1.00 0.00 H new ATOM 809 N ARG A 52 76.192 -1.612 0.556 1.00 0.00 N ATOM 810 CA ARG A 52 75.701 -0.351 1.112 1.00 0.00 C ATOM 811 C ARG A 52 75.245 0.586 -0.005 1.00 0.00 C ATOM 812 O ARG A 52 75.742 0.507 -1.129 1.00 0.00 O ATOM 813 CB ARG A 52 76.814 0.324 1.928 1.00 0.00 C ATOM 814 CG ARG A 52 78.027 0.615 1.035 1.00 0.00 C ATOM 815 CD ARG A 52 79.077 1.383 1.840 1.00 0.00 C ATOM 816 NE ARG A 52 80.229 1.698 1.003 1.00 0.00 N ATOM 817 CZ ARG A 52 81.373 2.101 1.544 1.00 0.00 C ATOM 818 NH1 ARG A 52 81.489 2.178 2.842 1.00 0.00 N ATOM 819 NH2 ARG A 52 82.384 2.419 0.780 1.00 0.00 N ATOM 0 H ARG A 52 77.208 -1.698 0.530 1.00 0.00 H new ATOM 0 HA ARG A 52 74.851 -0.564 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.443 1.252 2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.109 -0.321 2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.450 -0.318 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.721 1.197 0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.643 2.302 2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.394 0.789 2.697 1.00 0.00 H new ATOM 0 HE ARG A 52 80.155 1.608 -0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.701 1.929 3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 52 82.367 2.487 3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.296 2.358 -0.234 1.00 0.00 H new ATOM 0 HH22 ARG A 52 83.262 2.728 1.198 1.00 0.00 H new ATOM 833 N GLY A 53 74.306 1.478 0.306 1.00 0.00 N ATOM 834 CA GLY A 53 73.818 2.422 -0.694 1.00 0.00 C ATOM 835 C GLY A 53 72.605 3.195 -0.182 1.00 0.00 C ATOM 836 O GLY A 53 72.611 3.692 0.944 1.00 0.00 O ATOM 0 H GLY A 53 73.875 1.566 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.613 3.120 -0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.552 1.885 -1.605 1.00 0.00 H new ATOM 840 N LYS A 54 71.570 3.310 -1.021 1.00 0.00 N ATOM 841 CA LYS A 54 70.361 4.045 -0.642 1.00 0.00 C ATOM 842 C LYS A 54 69.117 3.274 -1.075 1.00 0.00 C ATOM 843 O LYS A 54 69.038 2.790 -2.204 1.00 0.00 O ATOM 844 CB LYS A 54 70.367 5.426 -1.314 1.00 0.00 C ATOM 845 CG LYS A 54 69.197 6.261 -0.787 1.00 0.00 C ATOM 846 CD LYS A 54 69.228 7.658 -1.410 1.00 0.00 C ATOM 847 CE LYS A 54 68.063 8.479 -0.859 1.00 0.00 C ATOM 848 NZ LYS A 54 68.098 9.850 -1.442 1.00 0.00 N ATOM 0 H LYS A 54 71.545 2.907 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 54 70.345 4.164 0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.310 5.935 -1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.289 5.315 -2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.253 5.769 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.254 6.337 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.174 8.149 -1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 54 69.157 7.587 -2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 54 67.117 7.994 -1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 54 68.125 8.533 0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 67.305 10.407 -1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 68.995 10.311 -1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 68.019 9.789 -2.477 1.00 0.00 H new ATOM 862 N ILE A 55 68.149 3.170 -0.169 1.00 0.00 N ATOM 863 CA ILE A 55 66.904 2.465 -0.452 1.00 0.00 C ATOM 864 C ILE A 55 65.886 3.459 -1.016 1.00 0.00 C ATOM 865 O ILE A 55 65.537 4.437 -0.354 1.00 0.00 O ATOM 866 CB ILE A 55 66.380 1.865 0.863 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.555 1.304 1.681 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.386 0.738 0.578 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.405 0.367 0.817 1.00 0.00 C ATOM 0 H ILE A 55 68.204 3.566 0.769 1.00 0.00 H new ATOM 0 HA ILE A 55 67.067 1.671 -1.180 1.00 0.00 H new ATOM 0 HB ILE A 55 65.877 2.651 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.170 2.122 2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.178 0.766 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.025 0.324 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.544 1.131 0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 55 65.879 -0.046 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.233 -0.023 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.790 -0.461 0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.798 0.917 -0.038 1.00 0.00 H new ATOM 881 N VAL A 56 65.438 3.229 -2.255 1.00 0.00 N ATOM 882 CA VAL A 56 64.494 4.146 -2.907 1.00 0.00 C ATOM 883 C VAL A 56 63.022 3.774 -2.668 1.00 0.00 C ATOM 884 O VAL A 56 62.227 4.639 -2.299 1.00 0.00 O ATOM 885 CB VAL A 56 64.794 4.192 -4.423 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.615 4.799 -5.198 1.00 0.00 C ATOM 887 CG2 VAL A 56 66.047 5.041 -4.672 1.00 0.00 C ATOM 0 H VAL A 56 65.709 2.426 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 56 64.636 5.129 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 56 64.955 3.172 -4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.851 4.820 -6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.723 4.194 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.433 5.815 -4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 56 66.258 5.073 -5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.879 6.053 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.895 4.601 -4.148 1.00 0.00 H new ATOM 897 N LYS A 57 62.638 2.519 -2.922 1.00 0.00 N ATOM 898 CA LYS A 57 61.229 2.130 -2.759 1.00 0.00 C ATOM 899 C LYS A 57 61.089 0.690 -2.280 1.00 0.00 C ATOM 900 O LYS A 57 61.985 -0.128 -2.466 1.00 0.00 O ATOM 901 CB LYS A 57 60.500 2.308 -4.097 1.00 0.00 C ATOM 902 CG LYS A 57 58.992 2.123 -3.899 1.00 0.00 C ATOM 903 CD LYS A 57 58.268 2.427 -5.211 1.00 0.00 C ATOM 904 CE LYS A 57 56.762 2.225 -5.024 1.00 0.00 C ATOM 905 NZ LYS A 57 56.197 3.369 -4.253 1.00 0.00 N ATOM 0 H LYS A 57 63.260 1.773 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 57 60.784 2.772 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.703 3.299 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.872 1.584 -4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.778 1.103 -3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.633 2.785 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.472 3.452 -5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.637 1.774 -6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.272 2.150 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.573 1.289 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 55.159 3.311 -4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 56.542 3.331 -3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 56.495 4.264 -4.691 1.00 0.00 H new ATOM 919 N ILE A 58 59.945 0.397 -1.654 1.00 0.00 N ATOM 920 CA ILE A 58 59.665 -0.935 -1.127 1.00 0.00 C ATOM 921 C ILE A 58 58.385 -1.499 -1.755 1.00 0.00 C ATOM 922 O ILE A 58 57.320 -0.886 -1.672 1.00 0.00 O ATOM 923 CB ILE A 58 59.508 -0.820 0.396 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.650 -2.198 1.038 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.142 -0.218 0.751 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.340 -2.103 2.537 1.00 0.00 C ATOM 0 H ILE A 58 59.196 1.072 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 58 60.482 -1.614 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 58 60.289 -0.163 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 58 58.971 -2.904 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.661 -2.577 0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.048 -0.144 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.057 0.775 0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.350 -0.857 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.442 -3.088 2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 58 60.037 -1.411 3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.321 -1.743 2.676 1.00 0.00 H new ATOM 938 N LEU A 59 58.495 -2.666 -2.393 1.00 0.00 N ATOM 939 CA LEU A 59 57.338 -3.298 -3.036 1.00 0.00 C ATOM 940 C LEU A 59 56.761 -4.405 -2.155 1.00 0.00 C ATOM 941 O LEU A 59 55.622 -4.831 -2.348 1.00 0.00 O ATOM 942 CB LEU A 59 57.756 -3.892 -4.386 1.00 0.00 C ATOM 943 CG LEU A 59 58.198 -2.774 -5.343 1.00 0.00 C ATOM 944 CD1 LEU A 59 58.779 -3.407 -6.613 1.00 0.00 C ATOM 945 CD2 LEU A 59 56.999 -1.875 -5.711 1.00 0.00 C ATOM 0 H LEU A 59 59.366 -3.190 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 59 56.573 -2.536 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.571 -4.602 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.924 -4.446 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 59 58.954 -2.159 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.096 -2.621 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.636 -4.027 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 59 58.019 -4.023 -7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.329 -1.088 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.230 -2.475 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.590 -1.426 -4.806 1.00 0.00 H new ATOM 957 N TYR A 60 57.564 -4.884 -1.201 1.00 0.00 N ATOM 958 CA TYR A 60 57.142 -5.962 -0.299 1.00 0.00 C ATOM 959 C TYR A 60 56.839 -5.431 1.101 1.00 0.00 C ATOM 960 O TYR A 60 57.537 -4.558 1.616 1.00 0.00 O ATOM 961 CB TYR A 60 58.249 -7.030 -0.224 1.00 0.00 C ATOM 962 CG TYR A 60 58.183 -7.918 -1.456 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.613 -7.433 -2.702 1.00 0.00 C ATOM 964 CD2 TYR A 60 57.682 -9.229 -1.358 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.547 -8.249 -3.837 1.00 0.00 C ATOM 966 CE2 TYR A 60 57.616 -10.042 -2.497 1.00 0.00 C ATOM 967 CZ TYR A 60 58.049 -9.552 -3.734 1.00 0.00 C ATOM 968 OH TYR A 60 57.984 -10.355 -4.856 1.00 0.00 O ATOM 0 H TYR A 60 58.510 -4.543 -1.032 1.00 0.00 H new ATOM 0 HA TYR A 60 56.227 -6.402 -0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.226 -6.552 -0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.128 -7.631 0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.996 -6.427 -2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.348 -9.609 -0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.881 -7.873 -4.793 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.231 -11.048 -2.420 1.00 0.00 H new ATOM 0 HH TYR A 60 57.615 -11.229 -4.612 1.00 0.00 H new ATOM 978 N ARG A 61 55.787 -5.985 1.708 1.00 0.00 N ATOM 979 CA ARG A 61 55.364 -5.596 3.054 1.00 0.00 C ATOM 980 C ARG A 61 55.220 -6.829 3.941 1.00 0.00 C ATOM 981 O ARG A 61 55.138 -7.957 3.452 1.00 0.00 O ATOM 982 CB ARG A 61 54.027 -4.852 2.999 1.00 0.00 C ATOM 983 CG ARG A 61 54.229 -3.491 2.332 1.00 0.00 C ATOM 984 CD ARG A 61 52.890 -2.758 2.223 1.00 0.00 C ATOM 985 NE ARG A 61 53.090 -1.454 1.602 1.00 0.00 N ATOM 986 CZ ARG A 61 52.059 -0.691 1.255 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.839 -1.114 1.453 1.00 0.00 N ATOM 988 NH2 ARG A 61 52.261 0.479 0.717 1.00 0.00 N ATOM 0 H ARG A 61 55.209 -6.710 1.284 1.00 0.00 H new ATOM 0 HA ARG A 61 56.124 -4.937 3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.295 -5.437 2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.630 -4.720 4.006 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.934 -2.894 2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.662 -3.623 1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.189 -3.348 1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.450 -2.636 3.213 1.00 0.00 H new ATOM 0 HE ARG A 61 54.039 -1.121 1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.679 -2.029 1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 61 50.047 -0.529 1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 61 53.213 0.811 0.561 1.00 0.00 H new ATOM 0 HH22 ARG A 61 51.467 1.062 0.452 1.00 0.00 H new ATOM 1002 N GLU A 62 55.190 -6.601 5.247 1.00 0.00 N ATOM 1003 CA GLU A 62 55.064 -7.690 6.212 1.00 0.00 C ATOM 1004 C GLU A 62 53.823 -8.535 5.944 1.00 0.00 C ATOM 1005 O GLU A 62 52.758 -8.008 5.620 1.00 0.00 O ATOM 1006 CB GLU A 62 54.967 -7.126 7.634 1.00 0.00 C ATOM 1007 CG GLU A 62 56.288 -6.469 8.032 1.00 0.00 C ATOM 1008 CD GLU A 62 56.169 -5.879 9.433 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.110 -6.021 10.023 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.136 -5.297 9.896 1.00 0.00 O ATOM 0 H GLU A 62 55.251 -5.672 5.665 1.00 0.00 H new ATOM 0 HA GLU A 62 55.950 -8.317 6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.159 -6.397 7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 62 54.724 -7.925 8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.093 -7.203 8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.545 -5.686 7.318 1.00 0.00 H new ATOM 1017 N GLY A 63 53.958 -9.851 6.108 1.00 0.00 N ATOM 1018 CA GLY A 63 52.822 -10.761 5.910 1.00 0.00 C ATOM 1019 C GLY A 63 52.667 -11.189 4.453 1.00 0.00 C ATOM 1020 O GLY A 63 51.690 -11.853 4.105 1.00 0.00 O ATOM 0 H GLY A 63 54.829 -10.310 6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 63 52.955 -11.645 6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 63 51.906 -10.272 6.242 1.00 0.00 H new ATOM 1024 N GLN A 64 53.616 -10.806 3.598 1.00 0.00 N ATOM 1025 CA GLN A 64 53.538 -11.165 2.176 1.00 0.00 C ATOM 1026 C GLN A 64 54.413 -12.366 1.846 1.00 0.00 C ATOM 1027 O GLN A 64 55.572 -12.445 2.253 1.00 0.00 O ATOM 1028 CB GLN A 64 53.955 -9.976 1.308 1.00 0.00 C ATOM 1029 CG GLN A 64 52.871 -8.902 1.365 1.00 0.00 C ATOM 1030 CD GLN A 64 53.308 -7.689 0.555 1.00 0.00 C ATOM 1031 OE1 GLN A 64 54.385 -7.698 -0.037 1.00 0.00 O ATOM 1032 NE2 GLN A 64 52.537 -6.636 0.491 1.00 0.00 N ATOM 0 H GLN A 64 54.436 -10.256 3.856 1.00 0.00 H new ATOM 0 HA GLN A 64 52.503 -11.432 1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.904 -9.570 1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 64 54.108 -10.299 0.278 1.00 0.00 H new ATOM 0 HG2 GLN A 64 51.934 -9.296 0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 64 52.686 -8.613 2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 64 51.643 -6.628 0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 64 52.829 -5.822 -0.050 1.00 0.00 H new ATOM 1041 N VAL A 65 53.836 -13.289 1.079 1.00 0.00 N ATOM 1042 CA VAL A 65 54.537 -14.500 0.643 1.00 0.00 C ATOM 1043 C VAL A 65 54.440 -14.597 -0.877 1.00 0.00 C ATOM 1044 O VAL A 65 53.352 -14.477 -1.439 1.00 0.00 O ATOM 1045 CB VAL A 65 53.906 -15.739 1.294 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.386 -15.710 1.107 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.478 -17.009 0.655 1.00 0.00 C ATOM 0 H VAL A 65 52.875 -13.222 0.743 1.00 0.00 H new ATOM 0 HA VAL A 65 55.583 -14.451 0.944 1.00 0.00 H new ATOM 0 HB VAL A 65 54.136 -15.736 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 65 51.945 -16.592 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 65 51.979 -14.813 1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.150 -15.704 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 65 54.027 -17.885 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.257 -17.011 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.558 -17.036 0.802 1.00 0.00 H new ATOM 1057 N VAL A 66 55.577 -14.793 -1.546 1.00 0.00 N ATOM 1058 CA VAL A 66 55.583 -14.871 -3.012 1.00 0.00 C ATOM 1059 C VAL A 66 56.680 -15.826 -3.519 1.00 0.00 C ATOM 1060 O VAL A 66 57.800 -15.782 -3.012 1.00 0.00 O ATOM 1061 CB VAL A 66 55.857 -13.476 -3.580 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.531 -13.455 -5.074 1.00 0.00 C ATOM 1063 CG2 VAL A 66 54.993 -12.439 -2.858 1.00 0.00 C ATOM 0 H VAL A 66 56.492 -14.899 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 66 54.613 -15.247 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 66 56.909 -13.234 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.727 -12.461 -5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.153 -14.185 -5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.480 -13.705 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.194 -11.449 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 66 53.940 -12.683 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.229 -12.446 -1.794 1.00 0.00 H new ATOM 1073 N PRO A 67 56.419 -16.666 -4.517 1.00 0.00 N ATOM 1074 CA PRO A 67 57.469 -17.584 -5.059 1.00 0.00 C ATOM 1075 C PRO A 67 58.737 -16.836 -5.483 1.00 0.00 C ATOM 1076 O PRO A 67 58.670 -15.745 -6.046 1.00 0.00 O ATOM 1077 CB PRO A 67 56.801 -18.255 -6.276 1.00 0.00 C ATOM 1078 CG PRO A 67 55.328 -18.119 -6.054 1.00 0.00 C ATOM 1079 CD PRO A 67 55.123 -16.857 -5.209 1.00 0.00 C ATOM 0 HA PRO A 67 57.798 -18.298 -4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 67 57.103 -17.771 -7.205 1.00 0.00 H new ATOM 0 HB3 PRO A 67 57.090 -19.303 -6.353 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.800 -18.038 -7.004 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.931 -18.996 -5.542 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.874 -15.998 -5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.307 -16.983 -4.498 1.00 0.00 H new ATOM 1087 N VAL A 68 59.889 -17.443 -5.208 1.00 0.00 N ATOM 1088 CA VAL A 68 61.166 -16.843 -5.563 1.00 0.00 C ATOM 1089 C VAL A 68 61.196 -16.474 -7.046 1.00 0.00 C ATOM 1090 O VAL A 68 60.632 -17.181 -7.882 1.00 0.00 O ATOM 1091 CB VAL A 68 62.292 -17.842 -5.272 1.00 0.00 C ATOM 1092 CG1 VAL A 68 62.229 -18.302 -3.809 1.00 0.00 C ATOM 1093 CG2 VAL A 68 62.157 -19.055 -6.205 1.00 0.00 C ATOM 0 H VAL A 68 59.961 -18.347 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 68 61.302 -15.937 -4.972 1.00 0.00 H new ATOM 0 HB VAL A 68 63.252 -17.355 -5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 68 63.034 -19.011 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 68 62.339 -17.440 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 68 61.269 -18.782 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 68 62.958 -19.765 -5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 68 61.193 -19.537 -6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 68 62.224 -18.726 -7.242 1.00 0.00 H new ATOM 1103 N GLY A 69 61.864 -15.362 -7.368 1.00 0.00 N ATOM 1104 CA GLY A 69 61.971 -14.904 -8.762 1.00 0.00 C ATOM 1105 C GLY A 69 61.291 -13.550 -8.967 1.00 0.00 C ATOM 1106 O GLY A 69 60.486 -13.388 -9.885 1.00 0.00 O ATOM 0 H GLY A 69 62.337 -14.764 -6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 69 63.022 -14.829 -9.041 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.518 -15.642 -9.423 1.00 0.00 H new ATOM 1110 N SER A 70 61.612 -12.576 -8.115 1.00 0.00 N ATOM 1111 CA SER A 70 61.017 -11.247 -8.234 1.00 0.00 C ATOM 1112 C SER A 70 61.902 -10.191 -7.581 1.00 0.00 C ATOM 1113 O SER A 70 62.780 -10.510 -6.780 1.00 0.00 O ATOM 1114 CB SER A 70 59.640 -11.233 -7.577 1.00 0.00 C ATOM 1115 OG SER A 70 59.743 -11.730 -6.248 1.00 0.00 O ATOM 0 H SER A 70 62.272 -12.681 -7.345 1.00 0.00 H new ATOM 0 HA SER A 70 60.921 -11.013 -9.294 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.240 -10.219 -7.567 1.00 0.00 H new ATOM 0 HB3 SER A 70 58.945 -11.844 -8.152 1.00 0.00 H new ATOM 0 HG SER A 70 59.298 -11.111 -5.632 1.00 0.00 H new ATOM 1121 N THR A 71 61.657 -8.930 -7.931 1.00 0.00 N ATOM 1122 CA THR A 71 62.426 -7.819 -7.379 1.00 0.00 C ATOM 1123 C THR A 71 61.873 -7.430 -6.012 1.00 0.00 C ATOM 1124 O THR A 71 60.864 -6.732 -5.913 1.00 0.00 O ATOM 1125 CB THR A 71 62.347 -6.620 -8.335 1.00 0.00 C ATOM 1126 OG1 THR A 71 63.152 -6.875 -9.477 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.837 -5.345 -7.640 1.00 0.00 C ATOM 0 H THR A 71 60.933 -8.653 -8.594 1.00 0.00 H new ATOM 0 HA THR A 71 63.466 -8.123 -7.264 1.00 0.00 H new ATOM 0 HB THR A 71 61.309 -6.478 -8.636 1.00 0.00 H new ATOM 0 HG1 THR A 71 63.102 -6.112 -10.090 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.774 -4.506 -8.333 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.214 -5.144 -6.768 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.872 -5.478 -7.324 1.00 0.00 H new ATOM 1135 N LEU A 72 62.546 -7.885 -4.968 1.00 0.00 N ATOM 1136 CA LEU A 72 62.120 -7.578 -3.609 1.00 0.00 C ATOM 1137 C LEU A 72 62.237 -6.081 -3.329 1.00 0.00 C ATOM 1138 O LEU A 72 61.358 -5.481 -2.712 1.00 0.00 O ATOM 1139 CB LEU A 72 62.987 -8.350 -2.613 1.00 0.00 C ATOM 1140 CG LEU A 72 62.742 -9.860 -2.750 1.00 0.00 C ATOM 1141 CD1 LEU A 72 63.699 -10.605 -1.815 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.280 -10.208 -2.404 1.00 0.00 C ATOM 0 H LEU A 72 63.383 -8.464 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 72 61.076 -7.873 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 72 64.040 -8.128 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.759 -8.029 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 72 62.925 -10.162 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 72 63.533 -11.679 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 72 64.728 -10.373 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 72 63.518 -10.295 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.127 -11.282 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.068 -9.908 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.610 -9.680 -3.082 1.00 0.00 H new ATOM 1154 N LEU A 73 63.340 -5.494 -3.782 1.00 0.00 N ATOM 1155 CA LEU A 73 63.597 -4.070 -3.578 1.00 0.00 C ATOM 1156 C LEU A 73 64.605 -3.591 -4.629 1.00 0.00 C ATOM 1157 O LEU A 73 65.475 -4.354 -5.044 1.00 0.00 O ATOM 1158 CB LEU A 73 64.169 -3.874 -2.161 1.00 0.00 C ATOM 1159 CG LEU A 73 63.905 -2.458 -1.622 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.358 -2.410 -0.153 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.678 -1.398 -2.443 1.00 0.00 C ATOM 0 H LEU A 73 64.074 -5.983 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 73 62.678 -3.494 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.725 -4.607 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.243 -4.062 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 73 62.842 -2.233 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.180 -1.413 0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.794 -3.142 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.422 -2.641 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.473 -0.406 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.747 -1.600 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.358 -1.440 -3.484 1.00 0.00 H new ATOM 1173 N GLN A 74 64.499 -2.329 -5.048 1.00 0.00 N ATOM 1174 CA GLN A 74 65.435 -1.780 -6.039 1.00 0.00 C ATOM 1175 C GLN A 74 66.453 -0.892 -5.337 1.00 0.00 C ATOM 1176 O GLN A 74 66.088 -0.005 -4.565 1.00 0.00 O ATOM 1177 CB GLN A 74 64.675 -0.963 -7.085 1.00 0.00 C ATOM 1178 CG GLN A 74 65.660 -0.363 -8.091 1.00 0.00 C ATOM 1179 CD GLN A 74 64.894 0.294 -9.233 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.712 0.011 -9.433 1.00 0.00 O ATOM 1181 NE2 GLN A 74 65.495 1.168 -9.995 1.00 0.00 N ATOM 0 H GLN A 74 63.787 -1.674 -4.725 1.00 0.00 H new ATOM 0 HA GLN A 74 65.949 -2.602 -6.538 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.955 -1.597 -7.602 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.109 -0.169 -6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.296 0.372 -7.597 1.00 0.00 H new ATOM 0 HG3 GLN A 74 66.316 -1.142 -8.481 1.00 0.00 H new ATOM 0 HE21 GLN A 74 66.474 1.402 -9.829 1.00 0.00 H new ATOM 0 HE22 GLN A 74 64.986 1.617 -10.756 1.00 0.00 H new ATOM 1190 N ILE A 75 67.740 -1.149 -5.594 1.00 0.00 N ATOM 1191 CA ILE A 75 68.820 -0.384 -4.960 1.00 0.00 C ATOM 1192 C ILE A 75 69.767 0.197 -5.998 1.00 0.00 C ATOM 1193 O ILE A 75 70.302 -0.520 -6.840 1.00 0.00 O ATOM 1194 CB ILE A 75 69.605 -1.308 -4.023 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.691 -1.797 -2.892 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.792 -0.562 -3.412 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.347 -2.976 -2.170 1.00 0.00 C ATOM 0 H ILE A 75 68.059 -1.877 -6.233 1.00 0.00 H new ATOM 0 HA ILE A 75 68.377 0.440 -4.401 1.00 0.00 H new ATOM 0 HB ILE A 75 69.970 -2.157 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.503 -0.987 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.725 -2.098 -3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.340 -1.231 -2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.453 -0.217 -4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.430 0.295 -2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.694 -3.320 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.512 -3.789 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.302 -2.660 -1.751 1.00 0.00 H new ATOM 1209 N ASP A 76 69.987 1.504 -5.905 1.00 0.00 N ATOM 1210 CA ASP A 76 70.899 2.197 -6.821 1.00 0.00 C ATOM 1211 C ASP A 76 72.263 2.386 -6.164 1.00 0.00 C ATOM 1212 O ASP A 76 72.395 3.151 -5.208 1.00 0.00 O ATOM 1213 CB ASP A 76 70.330 3.565 -7.193 1.00 0.00 C ATOM 1214 CG ASP A 76 71.133 4.177 -8.336 1.00 0.00 C ATOM 1215 OD1 ASP A 76 72.163 3.620 -8.678 1.00 0.00 O ATOM 1216 OD2 ASP A 76 70.706 5.199 -8.849 1.00 0.00 O ATOM 0 H ASP A 76 69.550 2.107 -5.208 1.00 0.00 H new ATOM 0 HA ASP A 76 71.010 1.591 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.285 3.465 -7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.356 4.226 -6.326 1.00 0.00 H new ATOM 1221 N THR A 77 73.276 1.695 -6.677 1.00 0.00 N ATOM 1222 CA THR A 77 74.618 1.815 -6.118 1.00 0.00 C ATOM 1223 C THR A 77 75.102 3.259 -6.216 1.00 0.00 C ATOM 1224 O THR A 77 74.621 3.965 -7.086 1.00 0.00 O ATOM 1225 CB THR A 77 75.589 0.894 -6.861 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.902 1.089 -6.354 1.00 0.00 O ATOM 1227 CG2 THR A 77 75.564 1.210 -8.357 1.00 0.00 C ATOM 1228 OXT THR A 77 75.941 3.639 -5.415 1.00 0.00 O ATOM 0 H THR A 77 73.196 1.055 -7.467 1.00 0.00 H new ATOM 0 HA THR A 77 74.583 1.520 -5.069 1.00 0.00 H new ATOM 0 HB THR A 77 75.289 -0.143 -6.712 1.00 0.00 H new ATOM 0 HG1 THR A 77 77.526 0.500 -6.827 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.257 0.551 -8.880 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.557 1.058 -8.744 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.860 2.247 -8.515 1.00 0.00 H new