USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 889 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 5 THR OG1 : rot 180:sc= 0.838 USER MOD Set 1.2: A 6 GLN : amide:sc= 0.915 K(o=1.8,f=-0.23) USER MOD Set 1.3: A 30 THR OG1 : rot -150:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.0433 (180deg=-0.319) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00147 USER MOD Single : A 18 MET CE :methyl -114:sc= -0.0917 (180deg=-0.249) USER MOD Single : A 19 MET CE :methyl 169:sc= -1.02 (180deg=-1.26) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 0.884 (180deg=0.676) USER MOD Single : A 34 THR OG1 : rot 171:sc= 0.217 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.356 K(o=0.36,f=-2.9!) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 0.973 (180deg=0.852) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.056 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -56:sc= 0.181 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.496 K(o=0.5,f=-0.85) USER MOD Single : A 102 LYS NZ :NH3+ -131:sc= -0.0686 (180deg=-0.487) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0414 USER MOD Single : A 106 MET CE :methyl -170:sc= -2.76! (180deg=-3.17!) USER MOD Single : A 111 LYS NZ :NH3+ -164:sc= -0.0427 (180deg=-0.299) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.220 -0.356 -3.178 1.00 0.00 N ATOM 2 CA MET A 1 2.218 0.511 -3.841 1.00 0.00 C ATOM 3 C MET A 1 3.308 0.926 -2.862 1.00 0.00 C ATOM 4 O MET A 1 3.147 0.765 -1.649 1.00 0.00 O ATOM 5 CB MET A 1 1.548 1.747 -4.448 1.00 0.00 C ATOM 6 CG MET A 1 0.530 1.347 -5.516 1.00 0.00 C ATOM 7 SD MET A 1 1.227 0.380 -6.878 1.00 0.00 S ATOM 8 CE MET A 1 -0.257 0.227 -7.905 1.00 0.00 C ATOM 0 H1 MET A 1 1.065 -1.209 -3.752 1.00 0.00 H new ATOM 0 H2 MET A 1 1.569 -0.630 -2.237 1.00 0.00 H new ATOM 0 H3 MET A 1 0.323 0.161 -3.078 1.00 0.00 H new ATOM 0 HA MET A 1 2.678 -0.061 -4.647 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.052 2.319 -3.664 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.305 2.397 -4.887 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.266 0.770 -5.045 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.073 2.249 -5.922 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.021 -0.346 -8.802 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.038 -0.285 -7.342 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.606 1.219 -8.190 1.00 0.00 H new ATOM 20 N SER A 2 4.418 1.458 -3.383 1.00 0.00 N ATOM 21 CA SER A 2 5.537 1.901 -2.563 1.00 0.00 C ATOM 22 C SER A 2 6.343 2.967 -3.299 1.00 0.00 C ATOM 23 O SER A 2 6.322 3.026 -4.527 1.00 0.00 O ATOM 24 CB SER A 2 6.419 0.699 -2.214 1.00 0.00 C ATOM 25 OG SER A 2 7.564 1.114 -1.503 1.00 0.00 O ATOM 0 H SER A 2 4.561 1.591 -4.384 1.00 0.00 H new ATOM 0 HA SER A 2 5.158 2.341 -1.641 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.851 -0.014 -1.616 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.718 0.183 -3.126 1.00 0.00 H new ATOM 0 HG SER A 2 8.115 0.333 -1.287 1.00 0.00 H new ATOM 31 N ALA A 3 7.053 3.812 -2.544 1.00 0.00 N ATOM 32 CA ALA A 3 7.869 4.877 -3.106 1.00 0.00 C ATOM 33 C ALA A 3 9.225 4.343 -3.581 1.00 0.00 C ATOM 34 O ALA A 3 10.076 5.121 -4.008 1.00 0.00 O ATOM 35 CB ALA A 3 8.056 5.966 -2.051 1.00 0.00 C ATOM 0 H ALA A 3 7.074 3.771 -1.525 1.00 0.00 H new ATOM 0 HA ALA A 3 7.363 5.294 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.667 6.770 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.083 6.362 -1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.552 5.544 -1.177 1.00 0.00 H new ATOM 41 N LEU A 4 9.424 3.025 -3.509 1.00 0.00 N ATOM 42 CA LEU A 4 10.676 2.398 -3.908 1.00 0.00 C ATOM 43 C LEU A 4 10.400 1.005 -4.467 1.00 0.00 C ATOM 44 O LEU A 4 10.188 0.059 -3.705 1.00 0.00 O ATOM 45 CB LEU A 4 11.607 2.359 -2.688 1.00 0.00 C ATOM 46 CG LEU A 4 12.827 1.453 -2.897 1.00 0.00 C ATOM 47 CD1 LEU A 4 13.602 1.861 -4.144 1.00 0.00 C ATOM 48 CD2 LEU A 4 13.752 1.574 -1.693 1.00 0.00 C ATOM 0 H LEU A 4 8.720 2.368 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 4 11.164 2.969 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.946 3.370 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.046 2.011 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 4 12.477 0.428 -3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.462 1.203 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.954 1.782 -5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.945 2.890 -4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.621 0.932 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.078 2.609 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.219 1.268 -0.793 1.00 0.00 H new ATOM 60 N THR A 5 10.404 0.879 -5.800 1.00 0.00 N ATOM 61 CA THR A 5 10.198 -0.402 -6.466 1.00 0.00 C ATOM 62 C THR A 5 11.085 -0.611 -7.693 1.00 0.00 C ATOM 63 O THR A 5 11.467 -1.740 -7.984 1.00 0.00 O ATOM 64 CB THR A 5 8.717 -0.634 -6.805 1.00 0.00 C ATOM 65 OG1 THR A 5 8.427 -0.073 -8.067 1.00 0.00 O ATOM 66 CG2 THR A 5 7.772 -0.020 -5.769 1.00 0.00 C ATOM 0 H THR A 5 10.550 1.660 -6.439 1.00 0.00 H new ATOM 0 HA THR A 5 10.507 -1.156 -5.742 1.00 0.00 H new ATOM 0 HB THR A 5 8.557 -1.712 -6.808 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.483 -0.223 -8.283 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.739 -0.214 -6.058 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.965 -0.464 -4.792 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.938 1.056 -5.717 1.00 0.00 H new ATOM 74 N GLN A 6 11.419 0.465 -8.413 1.00 0.00 N ATOM 75 CA GLN A 6 12.286 0.372 -9.577 1.00 0.00 C ATOM 76 C GLN A 6 13.737 0.371 -9.111 1.00 0.00 C ATOM 77 O GLN A 6 14.245 1.405 -8.680 1.00 0.00 O ATOM 78 CB GLN A 6 12.020 1.549 -10.520 1.00 0.00 C ATOM 79 CG GLN A 6 10.529 1.670 -10.856 1.00 0.00 C ATOM 80 CD GLN A 6 9.986 0.419 -11.533 1.00 0.00 C ATOM 81 OE1 GLN A 6 10.284 0.153 -12.694 1.00 0.00 O ATOM 82 NE2 GLN A 6 9.185 -0.356 -10.810 1.00 0.00 N ATOM 0 H GLN A 6 11.097 1.410 -8.204 1.00 0.00 H new ATOM 0 HA GLN A 6 12.084 -0.551 -10.121 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.367 2.473 -10.058 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.592 1.418 -11.438 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.967 1.859 -9.941 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.374 2.530 -11.508 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.961 -0.101 -9.848 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.794 -1.206 -11.217 1.00 0.00 H new ATOM 91 N ILE A 7 14.411 -0.781 -9.185 1.00 0.00 N ATOM 92 CA ILE A 7 15.774 -0.903 -8.686 1.00 0.00 C ATOM 93 C ILE A 7 16.692 -1.529 -9.727 1.00 0.00 C ATOM 94 O ILE A 7 16.338 -2.527 -10.350 1.00 0.00 O ATOM 95 CB ILE A 7 15.772 -1.694 -7.369 1.00 0.00 C ATOM 96 CG1 ILE A 7 14.962 -0.908 -6.326 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.209 -1.912 -6.886 1.00 0.00 C ATOM 98 CD1 ILE A 7 14.959 -1.599 -4.962 1.00 0.00 C ATOM 0 H ILE A 7 14.031 -1.638 -9.586 1.00 0.00 H new ATOM 0 HA ILE A 7 16.169 0.093 -8.486 1.00 0.00 H new ATOM 0 HB ILE A 7 15.316 -2.672 -7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.379 0.094 -6.224 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.936 -0.792 -6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.198 -2.474 -5.952 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.765 -2.471 -7.639 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.689 -0.947 -6.723 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.375 -1.008 -4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.518 -2.591 -5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 7 15.982 -1.691 -4.598 1.00 0.00 H new ATOM 110 N LEU A 8 17.881 -0.938 -9.910 1.00 0.00 N ATOM 111 CA LEU A 8 18.913 -1.491 -10.779 1.00 0.00 C ATOM 112 C LEU A 8 19.927 -2.268 -9.937 1.00 0.00 C ATOM 113 O LEU A 8 20.111 -1.977 -8.756 1.00 0.00 O ATOM 114 CB LEU A 8 19.604 -0.368 -11.561 1.00 0.00 C ATOM 115 CG LEU A 8 20.299 -0.950 -12.800 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.311 -0.992 -13.962 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.501 -0.101 -13.207 1.00 0.00 C ATOM 0 H LEU A 8 18.148 -0.064 -9.457 1.00 0.00 H new ATOM 0 HA LEU A 8 18.455 -2.172 -11.496 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.872 0.382 -11.862 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.333 0.135 -10.926 1.00 0.00 H new ATOM 0 HG LEU A 8 20.645 -1.954 -12.555 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.803 -1.405 -14.843 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.460 -1.619 -13.694 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.963 0.018 -14.181 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.973 -0.537 -14.087 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.170 0.912 -13.437 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.219 -0.070 -12.388 1.00 0.00 H new ATOM 129 N ILE A 9 20.587 -3.257 -10.542 1.00 0.00 N ATOM 130 CA ILE A 9 21.603 -4.052 -9.869 1.00 0.00 C ATOM 131 C ILE A 9 22.886 -4.045 -10.694 1.00 0.00 C ATOM 132 O ILE A 9 22.833 -4.104 -11.924 1.00 0.00 O ATOM 133 CB ILE A 9 21.086 -5.483 -9.637 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.657 -5.481 -9.072 1.00 0.00 C ATOM 135 CG2 ILE A 9 22.025 -6.221 -8.681 1.00 0.00 C ATOM 136 CD1 ILE A 9 19.062 -6.890 -9.085 1.00 0.00 C ATOM 0 H ILE A 9 20.429 -3.526 -11.513 1.00 0.00 H new ATOM 0 HA ILE A 9 21.824 -3.619 -8.894 1.00 0.00 H new ATOM 0 HB ILE A 9 21.063 -5.996 -10.599 1.00 0.00 H new ATOM 0 HG12 ILE A 9 19.665 -5.095 -8.053 1.00 0.00 H new ATOM 0 HG13 ILE A 9 19.030 -4.812 -9.661 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.656 -7.234 -8.519 1.00 0.00 H new ATOM 0 HG22 ILE A 9 23.025 -6.264 -9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.064 -5.692 -7.729 1.00 0.00 H new ATOM 0 HD11 ILE A 9 18.050 -6.861 -8.680 1.00 0.00 H new ATOM 0 HD12 ILE A 9 19.033 -7.263 -10.109 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.678 -7.551 -8.475 1.00 0.00 H new ATOM 148 N VAL A 10 24.037 -3.971 -10.020 1.00 0.00 N ATOM 149 CA VAL A 10 25.332 -3.954 -10.679 1.00 0.00 C ATOM 150 C VAL A 10 26.318 -4.833 -9.923 1.00 0.00 C ATOM 151 O VAL A 10 26.655 -4.547 -8.776 1.00 0.00 O ATOM 152 CB VAL A 10 25.861 -2.521 -10.809 1.00 0.00 C ATOM 153 CG1 VAL A 10 27.091 -2.505 -11.711 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.792 -1.592 -11.387 1.00 0.00 C ATOM 0 H VAL A 10 24.090 -3.921 -9.003 1.00 0.00 H new ATOM 0 HA VAL A 10 25.214 -4.356 -11.685 1.00 0.00 H new ATOM 0 HB VAL A 10 26.128 -2.165 -9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.463 -1.484 -11.800 1.00 0.00 H new ATOM 0 HG12 VAL A 10 27.867 -3.138 -11.280 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.823 -2.881 -12.698 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.193 -0.582 -11.469 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.497 -1.946 -12.375 1.00 0.00 H new ATOM 0 HG23 VAL A 10 23.922 -1.585 -10.730 1.00 0.00 H new ATOM 164 N GLU A 11 26.783 -5.900 -10.574 1.00 0.00 N ATOM 165 CA GLU A 11 27.688 -6.857 -9.951 1.00 0.00 C ATOM 166 C GLU A 11 28.529 -7.574 -11.007 1.00 0.00 C ATOM 167 O GLU A 11 28.372 -7.334 -12.202 1.00 0.00 O ATOM 168 CB GLU A 11 26.871 -7.865 -9.126 1.00 0.00 C ATOM 169 CG GLU A 11 26.225 -8.954 -9.999 1.00 0.00 C ATOM 170 CD GLU A 11 25.194 -8.399 -10.986 1.00 0.00 C ATOM 171 OE1 GLU A 11 24.500 -7.425 -10.618 1.00 0.00 O ATOM 172 OE2 GLU A 11 25.113 -8.965 -12.098 1.00 0.00 O ATOM 0 H GLU A 11 26.543 -6.121 -11.540 1.00 0.00 H new ATOM 0 HA GLU A 11 28.372 -6.325 -9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 11 27.519 -8.334 -8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 11 26.093 -7.335 -8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 11 27.004 -9.477 -10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 11 25.743 -9.690 -9.355 1.00 0.00 H new ATOM 179 N ASP A 12 29.422 -8.461 -10.557 1.00 0.00 N ATOM 180 CA ASP A 12 30.220 -9.294 -11.443 1.00 0.00 C ATOM 181 C ASP A 12 30.268 -10.728 -10.889 1.00 0.00 C ATOM 182 O ASP A 12 31.259 -11.438 -11.058 1.00 0.00 O ATOM 183 CB ASP A 12 31.614 -8.682 -11.620 1.00 0.00 C ATOM 184 CG ASP A 12 32.461 -9.452 -12.636 1.00 0.00 C ATOM 185 OD1 ASP A 12 31.862 -10.094 -13.529 1.00 0.00 O ATOM 186 OD2 ASP A 12 33.703 -9.390 -12.507 1.00 0.00 O ATOM 0 H ASP A 12 29.607 -8.617 -9.566 1.00 0.00 H new ATOM 0 HA ASP A 12 29.766 -9.340 -12.433 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.515 -7.646 -11.944 1.00 0.00 H new ATOM 0 HB3 ASP A 12 32.127 -8.668 -10.658 1.00 0.00 H new ATOM 191 N GLU A 13 29.188 -11.150 -10.221 1.00 0.00 N ATOM 192 CA GLU A 13 29.053 -12.511 -9.717 1.00 0.00 C ATOM 193 C GLU A 13 27.639 -13.023 -9.995 1.00 0.00 C ATOM 194 O GLU A 13 26.673 -12.299 -9.747 1.00 0.00 O ATOM 195 CB GLU A 13 29.364 -12.532 -8.217 1.00 0.00 C ATOM 196 CG GLU A 13 29.321 -13.972 -7.688 1.00 0.00 C ATOM 197 CD GLU A 13 29.784 -14.063 -6.232 1.00 0.00 C ATOM 198 OE1 GLU A 13 29.675 -15.174 -5.673 1.00 0.00 O ATOM 199 OE2 GLU A 13 30.238 -13.027 -5.693 1.00 0.00 O ATOM 0 H GLU A 13 28.386 -10.553 -10.017 1.00 0.00 H new ATOM 0 HA GLU A 13 29.759 -13.168 -10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 13 30.348 -12.099 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.642 -11.917 -7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 13 28.305 -14.358 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 13 29.954 -14.605 -8.310 1.00 0.00 H new ATOM 206 N PRO A 14 27.491 -14.257 -10.503 1.00 0.00 N ATOM 207 CA PRO A 14 26.195 -14.816 -10.848 1.00 0.00 C ATOM 208 C PRO A 14 25.290 -14.967 -9.630 1.00 0.00 C ATOM 209 O PRO A 14 24.093 -14.703 -9.712 1.00 0.00 O ATOM 210 CB PRO A 14 26.485 -16.193 -11.455 1.00 0.00 C ATOM 211 CG PRO A 14 27.965 -16.153 -11.831 1.00 0.00 C ATOM 212 CD PRO A 14 28.568 -15.168 -10.838 1.00 0.00 C ATOM 0 HA PRO A 14 25.669 -14.156 -11.538 1.00 0.00 H new ATOM 0 HB2 PRO A 14 26.280 -16.991 -10.741 1.00 0.00 H new ATOM 0 HB3 PRO A 14 25.860 -16.379 -12.329 1.00 0.00 H new ATOM 0 HG2 PRO A 14 28.425 -17.137 -11.747 1.00 0.00 H new ATOM 0 HG3 PRO A 14 28.107 -15.821 -12.859 1.00 0.00 H new ATOM 0 HD2 PRO A 14 28.940 -15.681 -9.951 1.00 0.00 H new ATOM 0 HD3 PRO A 14 29.412 -14.635 -11.275 1.00 0.00 H new ATOM 220 N LEU A 15 25.861 -15.391 -8.501 1.00 0.00 N ATOM 221 CA LEU A 15 25.094 -15.678 -7.295 1.00 0.00 C ATOM 222 C LEU A 15 24.473 -14.414 -6.722 1.00 0.00 C ATOM 223 O LEU A 15 23.304 -14.418 -6.351 1.00 0.00 O ATOM 224 CB LEU A 15 26.007 -16.326 -6.252 1.00 0.00 C ATOM 225 CG LEU A 15 26.055 -17.846 -6.437 1.00 0.00 C ATOM 226 CD1 LEU A 15 27.186 -18.424 -5.594 1.00 0.00 C ATOM 227 CD2 LEU A 15 24.740 -18.464 -5.971 1.00 0.00 C ATOM 0 H LEU A 15 26.865 -15.544 -8.400 1.00 0.00 H new ATOM 0 HA LEU A 15 24.286 -16.362 -7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 15 27.012 -15.913 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 15 25.648 -16.089 -5.251 1.00 0.00 H new ATOM 0 HG LEU A 15 26.218 -18.070 -7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 15 27.221 -19.506 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 15 28.134 -17.989 -5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 15 27.012 -18.191 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.779 -19.545 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.583 -18.234 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.918 -18.055 -6.558 1.00 0.00 H new ATOM 239 N ILE A 16 25.245 -13.328 -6.640 1.00 0.00 N ATOM 240 CA ILE A 16 24.746 -12.105 -6.029 1.00 0.00 C ATOM 241 C ILE A 16 23.688 -11.468 -6.929 1.00 0.00 C ATOM 242 O ILE A 16 22.829 -10.737 -6.448 1.00 0.00 O ATOM 243 CB ILE A 16 25.920 -11.155 -5.763 1.00 0.00 C ATOM 244 CG1 ILE A 16 27.055 -11.873 -5.016 1.00 0.00 C ATOM 245 CG2 ILE A 16 25.442 -9.947 -4.955 1.00 0.00 C ATOM 246 CD1 ILE A 16 26.577 -12.521 -3.705 1.00 0.00 C ATOM 0 H ILE A 16 26.203 -13.275 -6.985 1.00 0.00 H new ATOM 0 HA ILE A 16 24.270 -12.329 -5.074 1.00 0.00 H new ATOM 0 HB ILE A 16 26.308 -10.816 -6.723 1.00 0.00 H new ATOM 0 HG12 ILE A 16 27.483 -12.640 -5.662 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.850 -11.160 -4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 16 26.282 -9.277 -4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.671 -9.417 -5.515 1.00 0.00 H new ATOM 0 HG23 ILE A 16 25.032 -10.285 -4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 16 27.417 -13.015 -3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 16 26.174 -11.753 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.801 -13.255 -3.924 1.00 0.00 H new ATOM 258 N ALA A 17 23.749 -11.745 -8.236 1.00 0.00 N ATOM 259 CA ALA A 17 22.777 -11.228 -9.179 1.00 0.00 C ATOM 260 C ALA A 17 21.440 -11.941 -9.018 1.00 0.00 C ATOM 261 O ALA A 17 20.411 -11.291 -8.862 1.00 0.00 O ATOM 262 CB ALA A 17 23.314 -11.418 -10.598 1.00 0.00 C ATOM 0 H ALA A 17 24.471 -12.330 -8.658 1.00 0.00 H new ATOM 0 HA ALA A 17 22.616 -10.167 -8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.590 -11.032 -11.316 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.255 -10.879 -10.706 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.480 -12.479 -10.785 1.00 0.00 H new ATOM 268 N MET A 18 21.447 -13.277 -9.050 1.00 0.00 N ATOM 269 CA MET A 18 20.210 -14.049 -8.994 1.00 0.00 C ATOM 270 C MET A 18 19.572 -13.962 -7.609 1.00 0.00 C ATOM 271 O MET A 18 18.361 -14.135 -7.479 1.00 0.00 O ATOM 272 CB MET A 18 20.500 -15.508 -9.369 1.00 0.00 C ATOM 273 CG MET A 18 21.439 -16.175 -8.360 1.00 0.00 C ATOM 274 SD MET A 18 21.738 -17.935 -8.679 1.00 0.00 S ATOM 275 CE MET A 18 22.671 -17.802 -10.224 1.00 0.00 C ATOM 0 H MET A 18 22.294 -13.841 -9.114 1.00 0.00 H new ATOM 0 HA MET A 18 19.501 -13.631 -9.709 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.564 -16.064 -9.418 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.946 -15.547 -10.363 1.00 0.00 H new ATOM 0 HG2 MET A 18 22.393 -15.649 -8.365 1.00 0.00 H new ATOM 0 HG3 MET A 18 21.019 -16.064 -7.360 1.00 0.00 H new ATOM 0 HE1 MET A 18 22.092 -18.239 -11.037 1.00 0.00 H new ATOM 0 HE2 MET A 18 22.867 -16.752 -10.441 1.00 0.00 H new ATOM 0 HE3 MET A 18 23.617 -18.335 -10.125 1.00 0.00 H new ATOM 285 N MET A 19 20.371 -13.693 -6.573 1.00 0.00 N ATOM 286 CA MET A 19 19.843 -13.518 -5.228 1.00 0.00 C ATOM 287 C MET A 19 19.060 -12.213 -5.140 1.00 0.00 C ATOM 288 O MET A 19 17.974 -12.177 -4.566 1.00 0.00 O ATOM 289 CB MET A 19 20.993 -13.524 -4.218 1.00 0.00 C ATOM 290 CG MET A 19 21.531 -14.941 -4.003 1.00 0.00 C ATOM 291 SD MET A 19 20.900 -15.775 -2.518 1.00 0.00 S ATOM 292 CE MET A 19 19.133 -15.850 -2.927 1.00 0.00 C ATOM 0 H MET A 19 21.384 -13.593 -6.645 1.00 0.00 H new ATOM 0 HA MET A 19 19.168 -14.341 -4.996 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.795 -12.877 -4.572 1.00 0.00 H new ATOM 0 HB3 MET A 19 20.649 -13.114 -3.268 1.00 0.00 H new ATOM 0 HG2 MET A 19 21.283 -15.545 -4.876 1.00 0.00 H new ATOM 0 HG3 MET A 19 22.619 -14.897 -3.944 1.00 0.00 H new ATOM 0 HE1 MET A 19 18.623 -16.502 -2.218 1.00 0.00 H new ATOM 0 HE2 MET A 19 18.704 -14.849 -2.873 1.00 0.00 H new ATOM 0 HE3 MET A 19 19.009 -16.244 -3.936 1.00 0.00 H new ATOM 302 N LEU A 20 19.608 -11.139 -5.710 1.00 0.00 N ATOM 303 CA LEU A 20 18.977 -9.828 -5.649 1.00 0.00 C ATOM 304 C LEU A 20 17.777 -9.752 -6.590 1.00 0.00 C ATOM 305 O LEU A 20 16.837 -9.006 -6.322 1.00 0.00 O ATOM 306 CB LEU A 20 20.021 -8.764 -5.993 1.00 0.00 C ATOM 307 CG LEU A 20 21.072 -8.642 -4.882 1.00 0.00 C ATOM 308 CD1 LEU A 20 22.160 -7.665 -5.322 1.00 0.00 C ATOM 309 CD2 LEU A 20 20.444 -8.115 -3.593 1.00 0.00 C ATOM 0 H LEU A 20 20.491 -11.156 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 20 18.601 -9.651 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.509 -9.020 -6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.530 -7.802 -6.140 1.00 0.00 H new ATOM 0 HG LEU A 20 21.491 -9.631 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.909 -7.576 -4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.633 -8.033 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.716 -6.688 -5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.209 -8.037 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 20 20.011 -7.131 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.663 -8.800 -3.262 1.00 0.00 H new ATOM 321 N GLU A 21 17.791 -10.519 -7.683 1.00 0.00 N ATOM 322 CA GLU A 21 16.656 -10.564 -8.594 1.00 0.00 C ATOM 323 C GLU A 21 15.486 -11.317 -7.959 1.00 0.00 C ATOM 324 O GLU A 21 14.326 -10.999 -8.220 1.00 0.00 O ATOM 325 CB GLU A 21 17.074 -11.248 -9.896 1.00 0.00 C ATOM 326 CG GLU A 21 18.003 -10.331 -10.698 1.00 0.00 C ATOM 327 CD GLU A 21 18.566 -11.028 -11.932 1.00 0.00 C ATOM 328 OE1 GLU A 21 18.285 -12.237 -12.105 1.00 0.00 O ATOM 329 OE2 GLU A 21 19.278 -10.340 -12.699 1.00 0.00 O ATOM 0 H GLU A 21 18.575 -11.113 -7.954 1.00 0.00 H new ATOM 0 HA GLU A 21 16.333 -9.545 -8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.580 -12.188 -9.676 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.191 -11.492 -10.487 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.457 -9.438 -11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.824 -10.000 -10.062 1.00 0.00 H new ATOM 336 N ASP A 22 15.788 -12.313 -7.123 1.00 0.00 N ATOM 337 CA ASP A 22 14.766 -13.108 -6.462 1.00 0.00 C ATOM 338 C ASP A 22 14.110 -12.313 -5.330 1.00 0.00 C ATOM 339 O ASP A 22 12.892 -12.338 -5.172 1.00 0.00 O ATOM 340 CB ASP A 22 15.409 -14.397 -5.932 1.00 0.00 C ATOM 341 CG ASP A 22 14.424 -15.284 -5.175 1.00 0.00 C ATOM 342 OD1 ASP A 22 13.205 -15.164 -5.433 1.00 0.00 O ATOM 343 OD2 ASP A 22 14.905 -16.082 -4.341 1.00 0.00 O ATOM 0 H ASP A 22 16.743 -12.585 -6.890 1.00 0.00 H new ATOM 0 HA ASP A 22 13.982 -13.364 -7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.828 -14.958 -6.767 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.238 -14.139 -5.273 1.00 0.00 H new ATOM 348 N PHE A 23 14.922 -11.599 -4.542 1.00 0.00 N ATOM 349 CA PHE A 23 14.417 -10.862 -3.399 1.00 0.00 C ATOM 350 C PHE A 23 13.572 -9.636 -3.730 1.00 0.00 C ATOM 351 O PHE A 23 12.688 -9.266 -2.959 1.00 0.00 O ATOM 352 CB PHE A 23 15.546 -10.513 -2.429 1.00 0.00 C ATOM 353 CG PHE A 23 15.993 -11.675 -1.572 1.00 0.00 C ATOM 354 CD1 PHE A 23 17.330 -12.091 -1.591 1.00 0.00 C ATOM 355 CD2 PHE A 23 15.070 -12.337 -0.748 1.00 0.00 C ATOM 356 CE1 PHE A 23 17.745 -13.166 -0.796 1.00 0.00 C ATOM 357 CE2 PHE A 23 15.482 -13.409 0.052 1.00 0.00 C ATOM 358 CZ PHE A 23 16.821 -13.829 0.025 1.00 0.00 C ATOM 0 H PHE A 23 15.929 -11.522 -4.682 1.00 0.00 H new ATOM 0 HA PHE A 23 13.721 -11.547 -2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.399 -10.143 -2.997 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.218 -9.700 -1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 23 18.043 -11.581 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 23 14.038 -12.018 -0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 23 18.777 -13.485 -0.815 1.00 0.00 H new ATOM 0 HE2 PHE A 23 14.770 -13.913 0.689 1.00 0.00 H new ATOM 0 HZ PHE A 23 17.139 -14.661 0.635 1.00 0.00 H new ATOM 368 N LEU A 24 13.828 -8.999 -4.873 1.00 0.00 N ATOM 369 CA LEU A 24 13.033 -7.850 -5.277 1.00 0.00 C ATOM 370 C LEU A 24 11.664 -8.307 -5.763 1.00 0.00 C ATOM 371 O LEU A 24 10.667 -7.630 -5.526 1.00 0.00 O ATOM 372 CB LEU A 24 13.763 -7.083 -6.382 1.00 0.00 C ATOM 373 CG LEU A 24 15.022 -6.394 -5.843 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.751 -5.718 -7.001 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.655 -5.338 -4.803 1.00 0.00 C ATOM 0 H LEU A 24 14.569 -9.258 -5.524 1.00 0.00 H new ATOM 0 HA LEU A 24 12.893 -7.190 -4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.036 -7.769 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.094 -6.338 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 24 15.660 -7.143 -5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.648 -5.225 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 24 16.030 -6.467 -7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.096 -4.979 -7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.563 -4.861 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.010 -4.587 -5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.130 -5.811 -3.973 1.00 0.00 H new ATOM 387 N GLU A 25 11.605 -9.453 -6.441 1.00 0.00 N ATOM 388 CA GLU A 25 10.363 -9.950 -7.007 1.00 0.00 C ATOM 389 C GLU A 25 9.399 -10.419 -5.914 1.00 0.00 C ATOM 390 O GLU A 25 8.186 -10.265 -6.055 1.00 0.00 O ATOM 391 CB GLU A 25 10.701 -11.089 -7.969 1.00 0.00 C ATOM 392 CG GLU A 25 9.455 -11.823 -8.486 1.00 0.00 C ATOM 393 CD GLU A 25 8.572 -10.944 -9.372 1.00 0.00 C ATOM 394 OE1 GLU A 25 8.973 -9.794 -9.651 1.00 0.00 O ATOM 395 OE2 GLU A 25 7.491 -11.439 -9.771 1.00 0.00 O ATOM 0 H GLU A 25 12.412 -10.054 -6.609 1.00 0.00 H new ATOM 0 HA GLU A 25 9.858 -9.147 -7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.259 -10.689 -8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.354 -11.802 -7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.765 -12.703 -9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.870 -12.178 -7.637 1.00 0.00 H new ATOM 402 N VAL A 26 9.925 -10.991 -4.821 1.00 0.00 N ATOM 403 CA VAL A 26 9.086 -11.470 -3.727 1.00 0.00 C ATOM 404 C VAL A 26 8.603 -10.320 -2.845 1.00 0.00 C ATOM 405 O VAL A 26 7.574 -10.434 -2.182 1.00 0.00 O ATOM 406 CB VAL A 26 9.834 -12.538 -2.926 1.00 0.00 C ATOM 407 CG1 VAL A 26 10.955 -11.913 -2.096 1.00 0.00 C ATOM 408 CG2 VAL A 26 8.878 -13.271 -1.988 1.00 0.00 C ATOM 0 H VAL A 26 10.925 -11.130 -4.677 1.00 0.00 H new ATOM 0 HA VAL A 26 8.191 -11.929 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 26 10.263 -13.243 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.471 -12.693 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.662 -11.413 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.532 -11.187 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.427 -14.027 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.430 -12.558 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.093 -13.752 -2.572 1.00 0.00 H new ATOM 418 N LEU A 27 9.343 -9.204 -2.838 1.00 0.00 N ATOM 419 CA LEU A 27 8.926 -7.983 -2.157 1.00 0.00 C ATOM 420 C LEU A 27 7.976 -7.173 -3.048 1.00 0.00 C ATOM 421 O LEU A 27 7.700 -6.009 -2.761 1.00 0.00 O ATOM 422 CB LEU A 27 10.159 -7.152 -1.778 1.00 0.00 C ATOM 423 CG LEU A 27 10.995 -7.823 -0.687 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.286 -7.034 -0.493 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.231 -7.854 0.636 1.00 0.00 C ATOM 0 H LEU A 27 10.246 -9.127 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 27 8.391 -8.248 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.776 -6.997 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.840 -6.168 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 27 11.214 -8.846 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.888 -7.506 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.847 -7.018 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.047 -6.013 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.843 -8.335 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.999 -6.835 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.304 -8.414 0.508 1.00 0.00 H new ATOM 437 N ASP A 28 7.477 -7.786 -4.129 1.00 0.00 N ATOM 438 CA ASP A 28 6.620 -7.119 -5.103 1.00 0.00 C ATOM 439 C ASP A 28 7.269 -5.898 -5.754 1.00 0.00 C ATOM 440 O ASP A 28 6.575 -5.012 -6.253 1.00 0.00 O ATOM 441 CB ASP A 28 5.236 -6.821 -4.510 1.00 0.00 C ATOM 442 CG ASP A 28 4.415 -8.089 -4.265 1.00 0.00 C ATOM 443 OD1 ASP A 28 4.902 -9.184 -4.628 1.00 0.00 O ATOM 444 OD2 ASP A 28 3.298 -7.944 -3.716 1.00 0.00 O ATOM 0 H ASP A 28 7.661 -8.765 -4.349 1.00 0.00 H new ATOM 0 HA ASP A 28 6.475 -7.820 -5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.356 -6.283 -3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.689 -6.164 -5.186 1.00 0.00 H new ATOM 449 N LYS A 29 8.607 -5.848 -5.750 1.00 0.00 N ATOM 450 CA LYS A 29 9.361 -4.761 -6.363 1.00 0.00 C ATOM 451 C LYS A 29 9.763 -5.169 -7.780 1.00 0.00 C ATOM 452 O LYS A 29 9.349 -6.220 -8.267 1.00 0.00 O ATOM 453 CB LYS A 29 10.592 -4.421 -5.512 1.00 0.00 C ATOM 454 CG LYS A 29 10.229 -4.198 -4.039 1.00 0.00 C ATOM 455 CD LYS A 29 9.083 -3.190 -3.895 1.00 0.00 C ATOM 456 CE LYS A 29 8.839 -2.855 -2.424 1.00 0.00 C ATOM 457 NZ LYS A 29 9.977 -2.111 -1.850 1.00 0.00 N ATOM 0 H LYS A 29 9.193 -6.564 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 29 8.741 -3.866 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.319 -5.229 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.070 -3.524 -5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.941 -5.146 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.103 -3.838 -3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.321 -2.280 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.174 -3.600 -4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.929 -2.263 -2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.681 -3.774 -1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.695 -1.694 -0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.776 -2.760 -1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.262 -1.354 -2.504 1.00 0.00 H new ATOM 471 N THR A 30 10.565 -4.336 -8.445 1.00 0.00 N ATOM 472 CA THR A 30 10.935 -4.558 -9.838 1.00 0.00 C ATOM 473 C THR A 30 12.440 -4.466 -10.100 1.00 0.00 C ATOM 474 O THR A 30 13.017 -3.387 -9.966 1.00 0.00 O ATOM 475 CB THR A 30 10.165 -3.598 -10.750 1.00 0.00 C ATOM 476 OG1 THR A 30 8.843 -3.427 -10.288 1.00 0.00 O ATOM 477 CG2 THR A 30 10.141 -4.134 -12.180 1.00 0.00 C ATOM 0 H THR A 30 10.972 -3.496 -8.035 1.00 0.00 H new ATOM 0 HA THR A 30 10.657 -5.586 -10.069 1.00 0.00 H new ATOM 0 HB THR A 30 10.672 -2.633 -10.735 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.252 -3.243 -11.048 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.591 -3.443 -12.818 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.162 -4.234 -12.548 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.653 -5.109 -12.195 1.00 0.00 H new ATOM 485 N PRO A 31 13.085 -5.579 -10.477 1.00 0.00 N ATOM 486 CA PRO A 31 14.450 -5.571 -10.970 1.00 0.00 C ATOM 487 C PRO A 31 14.437 -5.039 -12.404 1.00 0.00 C ATOM 488 O PRO A 31 14.316 -5.809 -13.360 1.00 0.00 O ATOM 489 CB PRO A 31 14.905 -7.030 -10.910 1.00 0.00 C ATOM 490 CG PRO A 31 13.606 -7.825 -11.069 1.00 0.00 C ATOM 491 CD PRO A 31 12.533 -6.924 -10.461 1.00 0.00 C ATOM 0 HA PRO A 31 15.124 -4.938 -10.392 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.615 -7.261 -11.704 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.399 -7.256 -9.965 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.397 -8.040 -12.117 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.660 -8.783 -10.552 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.609 -6.974 -11.037 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.292 -7.235 -9.445 1.00 0.00 H new ATOM 499 N VAL A 32 14.558 -3.717 -12.560 1.00 0.00 N ATOM 500 CA VAL A 32 14.377 -3.066 -13.858 1.00 0.00 C ATOM 501 C VAL A 32 15.558 -3.264 -14.808 1.00 0.00 C ATOM 502 O VAL A 32 15.489 -2.847 -15.960 1.00 0.00 O ATOM 503 CB VAL A 32 14.035 -1.580 -13.675 1.00 0.00 C ATOM 504 CG1 VAL A 32 13.008 -1.403 -12.565 1.00 0.00 C ATOM 505 CG2 VAL A 32 15.270 -0.752 -13.323 1.00 0.00 C ATOM 0 H VAL A 32 14.782 -3.076 -11.799 1.00 0.00 H new ATOM 0 HA VAL A 32 13.533 -3.559 -14.340 1.00 0.00 H new ATOM 0 HB VAL A 32 13.632 -1.230 -14.625 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.777 -0.344 -12.449 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.099 -1.947 -12.821 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.412 -1.791 -11.630 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.985 0.293 -13.202 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.702 -1.120 -12.392 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.005 -0.837 -14.123 1.00 0.00 H new ATOM 515 N GLY A 33 16.635 -3.897 -14.339 1.00 0.00 N ATOM 516 CA GLY A 33 17.774 -4.184 -15.191 1.00 0.00 C ATOM 517 C GLY A 33 18.993 -4.599 -14.383 1.00 0.00 C ATOM 518 O GLY A 33 19.076 -4.344 -13.180 1.00 0.00 O ATOM 0 H GLY A 33 16.736 -4.217 -13.376 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.514 -4.979 -15.890 1.00 0.00 H new ATOM 0 HA3 GLY A 33 18.015 -3.303 -15.785 1.00 0.00 H new ATOM 522 N THR A 34 19.945 -5.246 -15.064 1.00 0.00 N ATOM 523 CA THR A 34 21.199 -5.688 -14.470 1.00 0.00 C ATOM 524 C THR A 34 22.363 -5.517 -15.431 1.00 0.00 C ATOM 525 O THR A 34 22.247 -5.860 -16.607 1.00 0.00 O ATOM 526 CB THR A 34 21.095 -7.134 -13.974 1.00 0.00 C ATOM 527 OG1 THR A 34 19.865 -7.339 -13.309 1.00 0.00 O ATOM 528 CG2 THR A 34 22.251 -7.458 -13.036 1.00 0.00 C ATOM 0 H THR A 34 19.860 -5.477 -16.054 1.00 0.00 H new ATOM 0 HA THR A 34 21.395 -5.052 -13.606 1.00 0.00 H new ATOM 0 HB THR A 34 21.145 -7.797 -14.837 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.744 -8.295 -13.133 1.00 0.00 H new ATOM 0 HG21 THR A 34 22.163 -8.489 -12.692 1.00 0.00 H new ATOM 0 HG22 THR A 34 23.195 -7.332 -13.565 1.00 0.00 H new ATOM 0 HG23 THR A 34 22.223 -6.786 -12.178 1.00 0.00 H new ATOM 536 N VAL A 35 23.484 -4.990 -14.934 1.00 0.00 N ATOM 537 CA VAL A 35 24.665 -4.746 -15.747 1.00 0.00 C ATOM 538 C VAL A 35 25.946 -5.098 -14.990 1.00 0.00 C ATOM 539 O VAL A 35 25.920 -5.300 -13.776 1.00 0.00 O ATOM 540 CB VAL A 35 24.676 -3.294 -16.256 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.312 -2.875 -16.823 1.00 0.00 C ATOM 542 CG2 VAL A 35 25.019 -2.336 -15.122 1.00 0.00 C ATOM 0 H VAL A 35 23.593 -4.722 -13.956 1.00 0.00 H new ATOM 0 HA VAL A 35 24.625 -5.402 -16.617 1.00 0.00 H new ATOM 0 HB VAL A 35 25.426 -3.247 -17.046 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.364 -1.843 -17.171 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.049 -3.526 -17.656 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.554 -2.957 -16.045 1.00 0.00 H new ATOM 0 HG21 VAL A 35 25.023 -1.313 -15.498 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.276 -2.429 -14.330 1.00 0.00 H new ATOM 0 HG23 VAL A 35 26.004 -2.580 -14.725 1.00 0.00 H new ATOM 552 N ASP A 36 27.069 -5.170 -15.710 1.00 0.00 N ATOM 553 CA ASP A 36 28.356 -5.536 -15.131 1.00 0.00 C ATOM 554 C ASP A 36 29.487 -4.559 -15.463 1.00 0.00 C ATOM 555 O ASP A 36 30.636 -4.793 -15.091 1.00 0.00 O ATOM 556 CB ASP A 36 28.722 -6.990 -15.480 1.00 0.00 C ATOM 557 CG ASP A 36 28.539 -7.322 -16.963 1.00 0.00 C ATOM 558 OD1 ASP A 36 28.632 -8.526 -17.291 1.00 0.00 O ATOM 559 OD2 ASP A 36 28.309 -6.382 -17.759 1.00 0.00 O ATOM 0 H ASP A 36 27.107 -4.975 -16.711 1.00 0.00 H new ATOM 0 HA ASP A 36 28.235 -5.465 -14.050 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.759 -7.174 -15.199 1.00 0.00 H new ATOM 0 HB3 ASP A 36 28.106 -7.665 -14.885 1.00 0.00 H new ATOM 564 N THR A 37 29.168 -3.463 -16.161 1.00 0.00 N ATOM 565 CA THR A 37 30.132 -2.419 -16.494 1.00 0.00 C ATOM 566 C THR A 37 29.568 -1.024 -16.270 1.00 0.00 C ATOM 567 O THR A 37 28.352 -0.834 -16.271 1.00 0.00 O ATOM 568 CB THR A 37 30.685 -2.574 -17.916 1.00 0.00 C ATOM 569 OG1 THR A 37 29.790 -1.978 -18.831 1.00 0.00 O ATOM 570 CG2 THR A 37 30.900 -4.038 -18.300 1.00 0.00 C ATOM 0 H THR A 37 28.228 -3.279 -16.511 1.00 0.00 H new ATOM 0 HA THR A 37 30.968 -2.544 -15.806 1.00 0.00 H new ATOM 0 HB THR A 37 31.656 -2.080 -17.948 1.00 0.00 H new ATOM 0 HG1 THR A 37 30.141 -2.074 -19.741 1.00 0.00 H new ATOM 0 HG21 THR A 37 31.292 -4.094 -19.315 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.611 -4.494 -17.611 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.951 -4.571 -18.248 1.00 0.00 H new ATOM 578 N VAL A 38 30.450 -0.040 -16.074 1.00 0.00 N ATOM 579 CA VAL A 38 30.002 1.323 -15.824 1.00 0.00 C ATOM 580 C VAL A 38 29.380 1.964 -17.059 1.00 0.00 C ATOM 581 O VAL A 38 28.569 2.876 -16.933 1.00 0.00 O ATOM 582 CB VAL A 38 31.116 2.190 -15.218 1.00 0.00 C ATOM 583 CG1 VAL A 38 31.979 1.393 -14.237 1.00 0.00 C ATOM 584 CG2 VAL A 38 32.008 2.797 -16.298 1.00 0.00 C ATOM 0 H VAL A 38 31.462 -0.163 -16.084 1.00 0.00 H new ATOM 0 HA VAL A 38 29.209 1.261 -15.078 1.00 0.00 H new ATOM 0 HB VAL A 38 30.620 2.996 -14.677 1.00 0.00 H new ATOM 0 HG11 VAL A 38 32.756 2.039 -13.828 1.00 0.00 H new ATOM 0 HG12 VAL A 38 31.355 1.018 -13.426 1.00 0.00 H new ATOM 0 HG13 VAL A 38 32.441 0.554 -14.757 1.00 0.00 H new ATOM 0 HG21 VAL A 38 32.784 3.403 -15.831 1.00 0.00 H new ATOM 0 HG22 VAL A 38 32.471 1.999 -16.878 1.00 0.00 H new ATOM 0 HG23 VAL A 38 31.407 3.423 -16.957 1.00 0.00 H new ATOM 594 N ALA A 39 29.753 1.496 -18.253 1.00 0.00 N ATOM 595 CA ALA A 39 29.188 2.014 -19.484 1.00 0.00 C ATOM 596 C ALA A 39 27.710 1.637 -19.581 1.00 0.00 C ATOM 597 O ALA A 39 26.902 2.419 -20.077 1.00 0.00 O ATOM 598 CB ALA A 39 29.970 1.453 -20.671 1.00 0.00 C ATOM 0 H ALA A 39 30.445 0.758 -18.385 1.00 0.00 H new ATOM 0 HA ALA A 39 29.262 3.101 -19.494 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.549 1.839 -21.599 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.015 1.754 -20.593 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.905 0.365 -20.668 1.00 0.00 H new ATOM 604 N GLY A 40 27.356 0.436 -19.107 1.00 0.00 N ATOM 605 CA GLY A 40 25.975 -0.017 -19.105 1.00 0.00 C ATOM 606 C GLY A 40 25.223 0.531 -17.895 1.00 0.00 C ATOM 607 O GLY A 40 24.017 0.751 -17.963 1.00 0.00 O ATOM 0 H GLY A 40 28.017 -0.237 -18.720 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.481 0.306 -20.022 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.946 -1.107 -19.093 1.00 0.00 H new ATOM 611 N ALA A 41 25.930 0.754 -16.784 1.00 0.00 N ATOM 612 CA ALA A 41 25.322 1.259 -15.564 1.00 0.00 C ATOM 613 C ALA A 41 24.977 2.738 -15.703 1.00 0.00 C ATOM 614 O ALA A 41 23.929 3.176 -15.227 1.00 0.00 O ATOM 615 CB ALA A 41 26.296 1.046 -14.409 1.00 0.00 C ATOM 0 H ALA A 41 26.934 0.589 -16.711 1.00 0.00 H new ATOM 0 HA ALA A 41 24.395 0.720 -15.370 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.853 1.420 -13.486 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.509 -0.018 -14.304 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.223 1.583 -14.611 1.00 0.00 H new ATOM 621 N LEU A 42 25.848 3.514 -16.354 1.00 0.00 N ATOM 622 CA LEU A 42 25.583 4.922 -16.588 1.00 0.00 C ATOM 623 C LEU A 42 24.462 5.061 -17.611 1.00 0.00 C ATOM 624 O LEU A 42 23.659 5.985 -17.520 1.00 0.00 O ATOM 625 CB LEU A 42 26.850 5.610 -17.097 1.00 0.00 C ATOM 626 CG LEU A 42 27.897 5.748 -15.985 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.214 6.228 -16.596 1.00 0.00 C ATOM 628 CD2 LEU A 42 27.450 6.760 -14.928 1.00 0.00 C ATOM 0 H LEU A 42 26.739 3.185 -16.725 1.00 0.00 H new ATOM 0 HA LEU A 42 25.278 5.396 -15.655 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.269 5.038 -17.925 1.00 0.00 H new ATOM 0 HB3 LEU A 42 26.599 6.596 -17.487 1.00 0.00 H new ATOM 0 HG LEU A 42 28.022 4.776 -15.508 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.964 6.329 -15.811 1.00 0.00 H new ATOM 0 HD12 LEU A 42 29.557 5.504 -17.335 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.061 7.194 -17.078 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.212 6.837 -14.152 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.308 7.735 -15.395 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.511 6.430 -14.483 1.00 0.00 H new ATOM 640 N ALA A 43 24.400 4.148 -18.582 1.00 0.00 N ATOM 641 CA ALA A 43 23.363 4.184 -19.599 1.00 0.00 C ATOM 642 C ALA A 43 21.999 3.836 -18.996 1.00 0.00 C ATOM 643 O ALA A 43 20.976 4.306 -19.489 1.00 0.00 O ATOM 644 CB ALA A 43 23.723 3.207 -20.718 1.00 0.00 C ATOM 0 H ALA A 43 25.059 3.376 -18.680 1.00 0.00 H new ATOM 0 HA ALA A 43 23.297 5.192 -20.008 1.00 0.00 H new ATOM 0 HB1 ALA A 43 22.948 3.230 -21.484 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.678 3.494 -21.159 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.800 2.199 -20.310 1.00 0.00 H new ATOM 650 N ARG A 44 21.978 3.017 -17.938 1.00 0.00 N ATOM 651 CA ARG A 44 20.733 2.594 -17.312 1.00 0.00 C ATOM 652 C ARG A 44 20.217 3.601 -16.292 1.00 0.00 C ATOM 653 O ARG A 44 19.007 3.756 -16.160 1.00 0.00 O ATOM 654 CB ARG A 44 20.925 1.216 -16.678 1.00 0.00 C ATOM 655 CG ARG A 44 20.909 0.122 -17.748 1.00 0.00 C ATOM 656 CD ARG A 44 19.513 0.004 -18.364 1.00 0.00 C ATOM 657 NE ARG A 44 19.471 -1.049 -19.383 1.00 0.00 N ATOM 658 CZ ARG A 44 18.944 -0.892 -20.603 1.00 0.00 C ATOM 659 NH1 ARG A 44 18.399 0.270 -20.970 1.00 0.00 N ATOM 660 NH2 ARG A 44 18.964 -1.902 -21.465 1.00 0.00 N ATOM 0 H ARG A 44 22.817 2.636 -17.500 1.00 0.00 H new ATOM 0 HA ARG A 44 19.971 2.534 -18.089 1.00 0.00 H new ATOM 0 HB2 ARG A 44 21.870 1.188 -16.136 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.135 1.032 -15.950 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.639 0.352 -18.524 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.202 -0.831 -17.308 1.00 0.00 H new ATOM 0 HD2 ARG A 44 18.785 -0.213 -17.582 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.227 0.957 -18.810 1.00 0.00 H new ATOM 0 HE ARG A 44 19.868 -1.958 -19.147 1.00 0.00 H new ATOM 0 HH11 ARG A 44 18.380 1.053 -20.317 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.001 0.375 -21.903 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.380 -2.794 -21.196 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.563 -1.786 -22.396 1.00 0.00 H new ATOM 674 N VAL A 45 21.101 4.291 -15.571 1.00 0.00 N ATOM 675 CA VAL A 45 20.649 5.331 -14.651 1.00 0.00 C ATOM 676 C VAL A 45 20.277 6.614 -15.399 1.00 0.00 C ATOM 677 O VAL A 45 19.510 7.430 -14.892 1.00 0.00 O ATOM 678 CB VAL A 45 21.661 5.539 -13.517 1.00 0.00 C ATOM 679 CG1 VAL A 45 22.921 6.261 -13.981 1.00 0.00 C ATOM 680 CG2 VAL A 45 21.015 6.355 -12.396 1.00 0.00 C ATOM 0 H VAL A 45 22.111 4.153 -15.604 1.00 0.00 H new ATOM 0 HA VAL A 45 19.729 5.000 -14.170 1.00 0.00 H new ATOM 0 HB VAL A 45 21.951 4.549 -13.164 1.00 0.00 H new ATOM 0 HG11 VAL A 45 23.602 6.382 -13.139 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.409 5.677 -14.761 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.654 7.242 -14.375 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.735 6.502 -11.591 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.703 7.324 -12.785 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.146 5.821 -12.012 1.00 0.00 H new ATOM 690 N GLU A 46 20.813 6.797 -16.609 1.00 0.00 N ATOM 691 CA GLU A 46 20.431 7.912 -17.470 1.00 0.00 C ATOM 692 C GLU A 46 19.023 7.722 -18.043 1.00 0.00 C ATOM 693 O GLU A 46 18.419 8.684 -18.516 1.00 0.00 O ATOM 694 CB GLU A 46 21.446 8.060 -18.605 1.00 0.00 C ATOM 695 CG GLU A 46 22.723 8.748 -18.116 1.00 0.00 C ATOM 696 CD GLU A 46 22.533 10.246 -17.874 1.00 0.00 C ATOM 697 OE1 GLU A 46 21.411 10.745 -18.116 1.00 0.00 O ATOM 698 OE2 GLU A 46 23.525 10.881 -17.447 1.00 0.00 O ATOM 0 H GLU A 46 21.518 6.180 -17.014 1.00 0.00 H new ATOM 0 HA GLU A 46 20.424 8.820 -16.866 1.00 0.00 H new ATOM 0 HB2 GLU A 46 21.690 7.078 -19.009 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.006 8.638 -19.417 1.00 0.00 H new ATOM 0 HG2 GLU A 46 23.054 8.274 -17.192 1.00 0.00 H new ATOM 0 HG3 GLU A 46 23.514 8.601 -18.851 1.00 0.00 H new ATOM 705 N ASP A 47 18.494 6.493 -18.006 1.00 0.00 N ATOM 706 CA ASP A 47 17.129 6.227 -18.444 1.00 0.00 C ATOM 707 C ASP A 47 16.099 6.809 -17.474 1.00 0.00 C ATOM 708 O ASP A 47 14.945 7.017 -17.848 1.00 0.00 O ATOM 709 CB ASP A 47 16.913 4.720 -18.636 1.00 0.00 C ATOM 710 CG ASP A 47 17.699 4.156 -19.820 1.00 0.00 C ATOM 711 OD1 ASP A 47 17.849 2.914 -19.862 1.00 0.00 O ATOM 712 OD2 ASP A 47 18.138 4.966 -20.668 1.00 0.00 O ATOM 0 H ASP A 47 18.996 5.669 -17.676 1.00 0.00 H new ATOM 0 HA ASP A 47 16.984 6.724 -19.403 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.208 4.196 -17.727 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.851 4.526 -18.785 1.00 0.00 H new ATOM 717 N GLY A 48 16.520 7.069 -16.232 1.00 0.00 N ATOM 718 CA GLY A 48 15.673 7.678 -15.222 1.00 0.00 C ATOM 719 C GLY A 48 14.531 6.757 -14.796 1.00 0.00 C ATOM 720 O GLY A 48 14.446 5.610 -15.237 1.00 0.00 O ATOM 0 H GLY A 48 17.463 6.859 -15.906 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.276 7.934 -14.351 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.261 8.610 -15.609 1.00 0.00 H new ATOM 724 N GLY A 49 13.653 7.264 -13.932 1.00 0.00 N ATOM 725 CA GLY A 49 12.499 6.522 -13.444 1.00 0.00 C ATOM 726 C GLY A 49 12.895 5.461 -12.416 1.00 0.00 C ATOM 727 O GLY A 49 12.035 4.744 -11.910 1.00 0.00 O ATOM 0 H GLY A 49 13.726 8.207 -13.551 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.786 7.214 -12.995 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.994 6.044 -14.283 1.00 0.00 H new ATOM 731 N ILE A 50 14.189 5.360 -12.104 1.00 0.00 N ATOM 732 CA ILE A 50 14.690 4.400 -11.130 1.00 0.00 C ATOM 733 C ILE A 50 14.604 4.994 -9.724 1.00 0.00 C ATOM 734 O ILE A 50 14.820 6.192 -9.539 1.00 0.00 O ATOM 735 CB ILE A 50 16.121 4.001 -11.500 1.00 0.00 C ATOM 736 CG1 ILE A 50 16.096 3.276 -12.854 1.00 0.00 C ATOM 737 CG2 ILE A 50 16.720 3.089 -10.427 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.509 3.058 -13.392 1.00 0.00 C ATOM 0 H ILE A 50 14.915 5.943 -12.521 1.00 0.00 H new ATOM 0 HA ILE A 50 14.078 3.498 -11.141 1.00 0.00 H new ATOM 0 HB ILE A 50 16.741 4.895 -11.568 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.593 2.315 -12.745 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.517 3.859 -13.571 1.00 0.00 H new ATOM 0 HG21 ILE A 50 17.737 2.816 -10.708 1.00 0.00 H new ATOM 0 HG22 ILE A 50 16.736 3.613 -9.471 1.00 0.00 H new ATOM 0 HG23 ILE A 50 16.114 2.187 -10.336 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.458 2.543 -14.351 1.00 0.00 H new ATOM 0 HD12 ILE A 50 18.001 4.022 -13.524 1.00 0.00 H new ATOM 0 HD13 ILE A 50 18.078 2.454 -12.686 1.00 0.00 H new ATOM 750 N ASP A 51 14.288 4.150 -8.737 1.00 0.00 N ATOM 751 CA ASP A 51 14.085 4.585 -7.360 1.00 0.00 C ATOM 752 C ASP A 51 15.327 4.335 -6.501 1.00 0.00 C ATOM 753 O ASP A 51 15.522 5.023 -5.504 1.00 0.00 O ATOM 754 CB ASP A 51 12.884 3.840 -6.779 1.00 0.00 C ATOM 755 CG ASP A 51 11.598 4.073 -7.569 1.00 0.00 C ATOM 756 OD1 ASP A 51 11.528 5.094 -8.287 1.00 0.00 O ATOM 757 OD2 ASP A 51 10.697 3.214 -7.439 1.00 0.00 O ATOM 0 H ASP A 51 14.167 3.147 -8.875 1.00 0.00 H new ATOM 0 HA ASP A 51 13.899 5.659 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.102 2.772 -6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.732 4.156 -5.747 1.00 0.00 H new ATOM 762 N ALA A 52 16.162 3.361 -6.880 1.00 0.00 N ATOM 763 CA ALA A 52 17.409 3.067 -6.183 1.00 0.00 C ATOM 764 C ALA A 52 18.278 2.137 -7.032 1.00 0.00 C ATOM 765 O ALA A 52 17.827 1.634 -8.060 1.00 0.00 O ATOM 766 CB ALA A 52 17.106 2.412 -4.833 1.00 0.00 C ATOM 0 H ALA A 52 15.987 2.755 -7.682 1.00 0.00 H new ATOM 0 HA ALA A 52 17.950 3.998 -6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.041 2.194 -4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.505 3.090 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.556 1.485 -4.994 1.00 0.00 H new ATOM 772 N ALA A 53 19.523 1.903 -6.609 1.00 0.00 N ATOM 773 CA ALA A 53 20.413 0.998 -7.319 1.00 0.00 C ATOM 774 C ALA A 53 21.346 0.267 -6.350 1.00 0.00 C ATOM 775 O ALA A 53 21.427 0.618 -5.175 1.00 0.00 O ATOM 776 CB ALA A 53 21.207 1.782 -8.365 1.00 0.00 C ATOM 0 H ALA A 53 19.932 2.330 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 53 19.816 0.239 -7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.875 1.105 -8.898 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.519 2.245 -9.073 1.00 0.00 H new ATOM 0 HB3 ALA A 53 21.794 2.556 -7.871 1.00 0.00 H new ATOM 782 N ILE A 54 22.051 -0.753 -6.854 1.00 0.00 N ATOM 783 CA ILE A 54 22.989 -1.550 -6.068 1.00 0.00 C ATOM 784 C ILE A 54 24.303 -1.675 -6.844 1.00 0.00 C ATOM 785 O ILE A 54 24.278 -1.782 -8.069 1.00 0.00 O ATOM 786 CB ILE A 54 22.383 -2.924 -5.748 1.00 0.00 C ATOM 787 CG1 ILE A 54 20.953 -2.764 -5.206 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.273 -3.652 -4.734 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.330 -4.112 -4.846 1.00 0.00 C ATOM 0 H ILE A 54 21.983 -1.048 -7.828 1.00 0.00 H new ATOM 0 HA ILE A 54 23.192 -1.060 -5.116 1.00 0.00 H new ATOM 0 HB ILE A 54 22.332 -3.518 -6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.968 -2.123 -4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.335 -2.265 -5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.843 -4.627 -4.507 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.270 -3.784 -5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.340 -3.063 -3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.320 -3.956 -4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.291 -4.744 -5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.934 -4.599 -4.080 1.00 0.00 H new ATOM 801 N LEU A 55 25.444 -1.662 -6.146 1.00 0.00 N ATOM 802 CA LEU A 55 26.748 -1.610 -6.799 1.00 0.00 C ATOM 803 C LEU A 55 27.799 -2.449 -6.071 1.00 0.00 C ATOM 804 O LEU A 55 28.063 -2.235 -4.889 1.00 0.00 O ATOM 805 CB LEU A 55 27.183 -0.144 -6.869 1.00 0.00 C ATOM 806 CG LEU A 55 28.545 0.023 -7.549 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.471 -0.432 -9.003 1.00 0.00 C ATOM 808 CD2 LEU A 55 28.942 1.492 -7.510 1.00 0.00 C ATOM 0 H LEU A 55 25.486 -1.687 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 55 26.659 -2.035 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.434 0.430 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 55 27.229 0.268 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 55 29.282 -0.584 -7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.446 -0.307 -9.473 1.00 0.00 H new ATOM 0 HD12 LEU A 55 28.181 -1.482 -9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.732 0.168 -9.535 1.00 0.00 H new ATOM 0 HD21 LEU A 55 29.911 1.620 -7.992 1.00 0.00 H new ATOM 0 HD22 LEU A 55 28.194 2.085 -8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 55 29.006 1.824 -6.474 1.00 0.00 H new ATOM 820 N ASP A 56 28.403 -3.404 -6.779 1.00 0.00 N ATOM 821 CA ASP A 56 29.513 -4.192 -6.262 1.00 0.00 C ATOM 822 C ASP A 56 30.784 -3.333 -6.298 1.00 0.00 C ATOM 823 O ASP A 56 30.939 -2.498 -7.188 1.00 0.00 O ATOM 824 CB ASP A 56 29.659 -5.449 -7.128 1.00 0.00 C ATOM 825 CG ASP A 56 30.677 -6.456 -6.591 1.00 0.00 C ATOM 826 OD1 ASP A 56 31.280 -6.181 -5.531 1.00 0.00 O ATOM 827 OD2 ASP A 56 30.838 -7.502 -7.262 1.00 0.00 O ATOM 0 H ASP A 56 28.132 -3.651 -7.731 1.00 0.00 H new ATOM 0 HA ASP A 56 29.337 -4.499 -5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.688 -5.937 -7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 56 29.952 -5.153 -8.135 1.00 0.00 H new ATOM 832 N VAL A 57 31.689 -3.531 -5.335 1.00 0.00 N ATOM 833 CA VAL A 57 32.906 -2.736 -5.231 1.00 0.00 C ATOM 834 C VAL A 57 33.740 -2.849 -6.503 1.00 0.00 C ATOM 835 O VAL A 57 34.397 -1.889 -6.901 1.00 0.00 O ATOM 836 CB VAL A 57 33.726 -3.204 -4.023 1.00 0.00 C ATOM 837 CG1 VAL A 57 34.978 -2.343 -3.864 1.00 0.00 C ATOM 838 CG2 VAL A 57 32.900 -3.117 -2.744 1.00 0.00 C ATOM 0 H VAL A 57 31.595 -4.244 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 57 32.627 -1.691 -5.098 1.00 0.00 H new ATOM 0 HB VAL A 57 34.014 -4.241 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.550 -2.688 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.591 -2.423 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 57 34.688 -1.303 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.501 -3.454 -1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.590 -2.085 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 57 32.018 -3.750 -2.837 1.00 0.00 H new ATOM 848 N ASN A 58 33.705 -4.025 -7.138 1.00 0.00 N ATOM 849 CA ASN A 58 34.450 -4.280 -8.357 1.00 0.00 C ATOM 850 C ASN A 58 33.513 -4.804 -9.440 1.00 0.00 C ATOM 851 O ASN A 58 32.685 -5.678 -9.189 1.00 0.00 O ATOM 852 CB ASN A 58 35.584 -5.273 -8.078 1.00 0.00 C ATOM 853 CG ASN A 58 36.591 -4.719 -7.078 1.00 0.00 C ATOM 854 OD1 ASN A 58 36.875 -3.527 -7.066 1.00 0.00 O ATOM 855 ND2 ASN A 58 37.144 -5.584 -6.234 1.00 0.00 N ATOM 0 H ASN A 58 33.157 -4.822 -6.814 1.00 0.00 H new ATOM 0 HA ASN A 58 34.893 -3.350 -8.713 1.00 0.00 H new ATOM 0 HB2 ASN A 58 35.166 -6.203 -7.694 1.00 0.00 H new ATOM 0 HB3 ASN A 58 36.094 -5.514 -9.011 1.00 0.00 H new ATOM 0 HD21 ASN A 58 37.828 -5.262 -5.549 1.00 0.00 H new ATOM 0 HD22 ASN A 58 36.885 -6.570 -6.271 1.00 0.00 H new ATOM 862 N LEU A 59 33.654 -4.264 -10.652 1.00 0.00 N ATOM 863 CA LEU A 59 32.856 -4.655 -11.804 1.00 0.00 C ATOM 864 C LEU A 59 33.683 -5.570 -12.697 1.00 0.00 C ATOM 865 O LEU A 59 34.750 -6.036 -12.292 1.00 0.00 O ATOM 866 CB LEU A 59 32.394 -3.387 -12.538 1.00 0.00 C ATOM 867 CG LEU A 59 31.033 -2.918 -12.012 1.00 0.00 C ATOM 868 CD1 LEU A 59 31.038 -2.736 -10.496 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.680 -1.581 -12.652 1.00 0.00 C ATOM 0 H LEU A 59 34.336 -3.534 -10.858 1.00 0.00 H new ATOM 0 HA LEU A 59 31.968 -5.209 -11.498 1.00 0.00 H new ATOM 0 HB2 LEU A 59 33.132 -2.596 -12.406 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.327 -3.585 -13.608 1.00 0.00 H new ATOM 0 HG LEU A 59 30.301 -3.684 -12.267 1.00 0.00 H new ATOM 0 HD11 LEU A 59 30.054 -2.403 -10.166 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.280 -3.685 -10.016 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.784 -1.990 -10.222 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.712 -1.244 -12.280 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.442 -0.844 -12.399 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.632 -1.697 -13.735 1.00 0.00 H new ATOM 881 N ARG A 60 33.197 -5.834 -13.914 1.00 0.00 N ATOM 882 CA ARG A 60 33.858 -6.732 -14.849 1.00 0.00 C ATOM 883 C ARG A 60 35.335 -6.365 -14.984 1.00 0.00 C ATOM 884 O ARG A 60 35.684 -5.187 -15.025 1.00 0.00 O ATOM 885 CB ARG A 60 33.144 -6.652 -16.198 1.00 0.00 C ATOM 886 CG ARG A 60 33.481 -7.854 -17.080 1.00 0.00 C ATOM 887 CD ARG A 60 32.809 -9.110 -16.521 1.00 0.00 C ATOM 888 NE ARG A 60 33.084 -10.282 -17.360 1.00 0.00 N ATOM 889 CZ ARG A 60 33.037 -11.539 -16.910 1.00 0.00 C ATOM 890 NH1 ARG A 60 32.713 -11.794 -15.645 1.00 0.00 N ATOM 891 NH2 ARG A 60 33.314 -12.551 -17.728 1.00 0.00 N ATOM 0 H ARG A 60 32.333 -5.428 -14.273 1.00 0.00 H new ATOM 0 HA ARG A 60 33.807 -7.756 -14.479 1.00 0.00 H new ATOM 0 HB2 ARG A 60 32.067 -6.606 -16.039 1.00 0.00 H new ATOM 0 HB3 ARG A 60 33.430 -5.733 -16.709 1.00 0.00 H new ATOM 0 HG2 ARG A 60 33.144 -7.674 -18.101 1.00 0.00 H new ATOM 0 HG3 ARG A 60 34.561 -7.996 -17.121 1.00 0.00 H new ATOM 0 HD2 ARG A 60 33.165 -9.295 -15.507 1.00 0.00 H new ATOM 0 HD3 ARG A 60 31.733 -8.951 -16.457 1.00 0.00 H new ATOM 0 HE ARG A 60 33.324 -10.129 -18.339 1.00 0.00 H new ATOM 0 HH11 ARG A 60 32.498 -11.026 -15.009 1.00 0.00 H new ATOM 0 HH12 ARG A 60 32.680 -12.757 -15.311 1.00 0.00 H new ATOM 0 HH21 ARG A 60 33.563 -12.368 -18.700 1.00 0.00 H new ATOM 0 HH22 ARG A 60 33.278 -13.510 -17.383 1.00 0.00 H new ATOM 905 N GLY A 61 36.199 -7.379 -15.049 1.00 0.00 N ATOM 906 CA GLY A 61 37.637 -7.182 -15.102 1.00 0.00 C ATOM 907 C GLY A 61 38.235 -7.003 -13.707 1.00 0.00 C ATOM 908 O GLY A 61 39.449 -6.878 -13.569 1.00 0.00 O ATOM 0 H GLY A 61 35.915 -8.359 -15.066 1.00 0.00 H new ATOM 0 HA2 GLY A 61 38.104 -8.037 -15.591 1.00 0.00 H new ATOM 0 HA3 GLY A 61 37.862 -6.305 -15.710 1.00 0.00 H new ATOM 912 N GLY A 62 37.389 -6.991 -12.671 1.00 0.00 N ATOM 913 CA GLY A 62 37.831 -6.898 -11.287 1.00 0.00 C ATOM 914 C GLY A 62 38.243 -5.475 -10.908 1.00 0.00 C ATOM 915 O GLY A 62 38.736 -5.254 -9.802 1.00 0.00 O ATOM 0 H GLY A 62 36.376 -7.046 -12.776 1.00 0.00 H new ATOM 0 HA2 GLY A 62 37.029 -7.230 -10.628 1.00 0.00 H new ATOM 0 HA3 GLY A 62 38.673 -7.572 -11.130 1.00 0.00 H new ATOM 919 N GLU A 63 38.047 -4.508 -11.809 1.00 0.00 N ATOM 920 CA GLU A 63 38.452 -3.133 -11.569 1.00 0.00 C ATOM 921 C GLU A 63 37.454 -2.416 -10.652 1.00 0.00 C ATOM 922 O GLU A 63 36.244 -2.626 -10.749 1.00 0.00 O ATOM 923 CB GLU A 63 38.597 -2.406 -12.906 1.00 0.00 C ATOM 924 CG GLU A 63 39.063 -0.961 -12.690 1.00 0.00 C ATOM 925 CD GLU A 63 39.333 -0.245 -14.013 1.00 0.00 C ATOM 926 OE1 GLU A 63 39.649 0.967 -13.957 1.00 0.00 O ATOM 927 OE2 GLU A 63 39.229 -0.908 -15.069 1.00 0.00 O ATOM 0 H GLU A 63 37.606 -4.661 -12.716 1.00 0.00 H new ATOM 0 HA GLU A 63 39.415 -3.130 -11.059 1.00 0.00 H new ATOM 0 HB2 GLU A 63 39.313 -2.934 -13.537 1.00 0.00 H new ATOM 0 HB3 GLU A 63 37.643 -2.411 -13.433 1.00 0.00 H new ATOM 0 HG2 GLU A 63 38.304 -0.415 -12.130 1.00 0.00 H new ATOM 0 HG3 GLU A 63 39.969 -0.959 -12.084 1.00 0.00 H new ATOM 934 N LYS A 64 37.975 -1.563 -9.764 1.00 0.00 N ATOM 935 CA LYS A 64 37.169 -0.770 -8.846 1.00 0.00 C ATOM 936 C LYS A 64 36.399 0.297 -9.617 1.00 0.00 C ATOM 937 O LYS A 64 36.924 0.870 -10.568 1.00 0.00 O ATOM 938 CB LYS A 64 38.103 -0.152 -7.801 1.00 0.00 C ATOM 939 CG LYS A 64 37.346 0.718 -6.798 1.00 0.00 C ATOM 940 CD LYS A 64 38.338 1.204 -5.737 1.00 0.00 C ATOM 941 CE LYS A 64 37.646 2.074 -4.683 1.00 0.00 C ATOM 942 NZ LYS A 64 37.149 3.340 -5.258 1.00 0.00 N ATOM 0 H LYS A 64 38.978 -1.406 -9.666 1.00 0.00 H new ATOM 0 HA LYS A 64 36.433 -1.394 -8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 64 38.627 -0.946 -7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.861 0.450 -8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 64 36.885 1.567 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 64 36.541 0.148 -6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 64 38.805 0.346 -5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 64 39.135 1.774 -6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 64 36.814 1.522 -4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 64 38.345 2.291 -3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 36.794 3.952 -4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 37.924 3.822 -5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 36.379 3.139 -5.927 1.00 0.00 H new ATOM 956 N SER A 65 35.155 0.569 -9.207 1.00 0.00 N ATOM 957 CA SER A 65 34.292 1.496 -9.925 1.00 0.00 C ATOM 958 C SER A 65 33.394 2.277 -8.974 1.00 0.00 C ATOM 959 O SER A 65 32.751 1.695 -8.101 1.00 0.00 O ATOM 960 CB SER A 65 33.441 0.720 -10.929 1.00 0.00 C ATOM 961 OG SER A 65 34.257 0.198 -11.956 1.00 0.00 O ATOM 0 H SER A 65 34.728 0.156 -8.378 1.00 0.00 H new ATOM 0 HA SER A 65 34.922 2.215 -10.449 1.00 0.00 H new ATOM 0 HB2 SER A 65 32.917 -0.091 -10.423 1.00 0.00 H new ATOM 0 HB3 SER A 65 32.681 1.374 -11.355 1.00 0.00 H new ATOM 0 HG SER A 65 33.703 -0.299 -12.593 1.00 0.00 H new ATOM 967 N THR A 66 33.354 3.601 -9.153 1.00 0.00 N ATOM 968 CA THR A 66 32.418 4.485 -8.470 1.00 0.00 C ATOM 969 C THR A 66 31.763 5.565 -9.347 1.00 0.00 C ATOM 970 O THR A 66 31.143 6.473 -8.794 1.00 0.00 O ATOM 971 CB THR A 66 33.047 5.113 -7.218 1.00 0.00 C ATOM 972 OG1 THR A 66 33.740 6.293 -7.575 1.00 0.00 O ATOM 973 CG2 THR A 66 34.015 4.173 -6.511 1.00 0.00 C ATOM 0 H THR A 66 33.983 4.092 -9.788 1.00 0.00 H new ATOM 0 HA THR A 66 31.601 3.826 -8.178 1.00 0.00 H new ATOM 0 HB THR A 66 32.231 5.332 -6.530 1.00 0.00 H new ATOM 0 HG1 THR A 66 34.139 6.693 -6.774 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.429 4.670 -5.634 1.00 0.00 H new ATOM 0 HG22 THR A 66 33.486 3.271 -6.202 1.00 0.00 H new ATOM 0 HG23 THR A 66 34.823 3.904 -7.191 1.00 0.00 H new ATOM 981 N PRO A 67 31.869 5.517 -10.691 1.00 0.00 N ATOM 982 CA PRO A 67 31.360 6.584 -11.535 1.00 0.00 C ATOM 983 C PRO A 67 29.837 6.624 -11.477 1.00 0.00 C ATOM 984 O PRO A 67 29.231 7.659 -11.754 1.00 0.00 O ATOM 985 CB PRO A 67 31.843 6.255 -12.947 1.00 0.00 C ATOM 986 CG PRO A 67 32.000 4.739 -12.924 1.00 0.00 C ATOM 987 CD PRO A 67 32.439 4.452 -11.496 1.00 0.00 C ATOM 0 HA PRO A 67 31.713 7.563 -11.212 1.00 0.00 H new ATOM 0 HB2 PRO A 67 31.124 6.573 -13.702 1.00 0.00 H new ATOM 0 HB3 PRO A 67 32.785 6.753 -13.175 1.00 0.00 H new ATOM 0 HG2 PRO A 67 31.065 4.234 -13.166 1.00 0.00 H new ATOM 0 HG3 PRO A 67 32.741 4.401 -13.648 1.00 0.00 H new ATOM 0 HD2 PRO A 67 32.083 3.477 -11.165 1.00 0.00 H new ATOM 0 HD3 PRO A 67 33.526 4.438 -11.415 1.00 0.00 H new ATOM 995 N VAL A 68 29.219 5.493 -11.115 1.00 0.00 N ATOM 996 CA VAL A 68 27.774 5.392 -11.010 1.00 0.00 C ATOM 997 C VAL A 68 27.257 5.796 -9.638 1.00 0.00 C ATOM 998 O VAL A 68 26.229 6.457 -9.541 1.00 0.00 O ATOM 999 CB VAL A 68 27.299 3.992 -11.415 1.00 0.00 C ATOM 1000 CG1 VAL A 68 28.142 3.433 -12.558 1.00 0.00 C ATOM 1001 CG2 VAL A 68 27.372 3.011 -10.253 1.00 0.00 C ATOM 0 H VAL A 68 29.713 4.629 -10.889 1.00 0.00 H new ATOM 0 HA VAL A 68 27.346 6.109 -11.711 1.00 0.00 H new ATOM 0 HB VAL A 68 26.262 4.103 -11.732 1.00 0.00 H new ATOM 0 HG11 VAL A 68 27.782 2.439 -12.824 1.00 0.00 H new ATOM 0 HG12 VAL A 68 28.063 4.091 -13.424 1.00 0.00 H new ATOM 0 HG13 VAL A 68 29.184 3.369 -12.244 1.00 0.00 H new ATOM 0 HG21 VAL A 68 27.027 2.031 -10.582 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.402 2.935 -9.905 1.00 0.00 H new ATOM 0 HG23 VAL A 68 26.739 3.364 -9.439 1.00 0.00 H new ATOM 1011 N ALA A 69 27.958 5.411 -8.571 1.00 0.00 N ATOM 1012 CA ALA A 69 27.524 5.729 -7.223 1.00 0.00 C ATOM 1013 C ALA A 69 27.591 7.239 -7.004 1.00 0.00 C ATOM 1014 O ALA A 69 26.859 7.783 -6.180 1.00 0.00 O ATOM 1015 CB ALA A 69 28.420 4.990 -6.239 1.00 0.00 C ATOM 0 H ALA A 69 28.827 4.879 -8.621 1.00 0.00 H new ATOM 0 HA ALA A 69 26.492 5.414 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 69 28.107 5.218 -5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 69 28.342 3.917 -6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.454 5.305 -6.380 1.00 0.00 H new ATOM 1021 N GLU A 70 28.469 7.913 -7.748 1.00 0.00 N ATOM 1022 CA GLU A 70 28.555 9.362 -7.738 1.00 0.00 C ATOM 1023 C GLU A 70 27.419 9.961 -8.563 1.00 0.00 C ATOM 1024 O GLU A 70 27.003 11.090 -8.315 1.00 0.00 O ATOM 1025 CB GLU A 70 29.915 9.782 -8.302 1.00 0.00 C ATOM 1026 CG GLU A 70 31.036 9.435 -7.316 1.00 0.00 C ATOM 1027 CD GLU A 70 31.032 10.358 -6.091 1.00 0.00 C ATOM 1028 OE1 GLU A 70 31.813 10.073 -5.158 1.00 0.00 O ATOM 1029 OE2 GLU A 70 30.256 11.340 -6.092 1.00 0.00 O ATOM 0 H GLU A 70 29.138 7.463 -8.373 1.00 0.00 H new ATOM 0 HA GLU A 70 28.460 9.732 -6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 70 30.091 9.280 -9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 70 29.917 10.854 -8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 70 30.925 8.401 -6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 70 31.999 9.508 -7.822 1.00 0.00 H new ATOM 1036 N ALA A 71 26.913 9.207 -9.546 1.00 0.00 N ATOM 1037 CA ALA A 71 25.799 9.648 -10.367 1.00 0.00 C ATOM 1038 C ALA A 71 24.474 9.445 -9.631 1.00 0.00 C ATOM 1039 O ALA A 71 23.559 10.250 -9.790 1.00 0.00 O ATOM 1040 CB ALA A 71 25.811 8.887 -11.690 1.00 0.00 C ATOM 0 H ALA A 71 27.267 8.281 -9.787 1.00 0.00 H new ATOM 0 HA ALA A 71 25.903 10.713 -10.572 1.00 0.00 H new ATOM 0 HB1 ALA A 71 24.975 9.217 -12.307 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.747 9.081 -12.213 1.00 0.00 H new ATOM 0 HB3 ALA A 71 25.719 7.818 -11.496 1.00 0.00 H new ATOM 1046 N LEU A 72 24.358 8.382 -8.830 1.00 0.00 N ATOM 1047 CA LEU A 72 23.163 8.169 -8.030 1.00 0.00 C ATOM 1048 C LEU A 72 23.094 9.247 -6.946 1.00 0.00 C ATOM 1049 O LEU A 72 22.009 9.716 -6.608 1.00 0.00 O ATOM 1050 CB LEU A 72 23.186 6.769 -7.390 1.00 0.00 C ATOM 1051 CG LEU A 72 22.627 5.656 -8.293 1.00 0.00 C ATOM 1052 CD1 LEU A 72 21.143 5.872 -8.577 1.00 0.00 C ATOM 1053 CD2 LEU A 72 23.375 5.518 -9.615 1.00 0.00 C ATOM 0 H LEU A 72 25.075 7.664 -8.723 1.00 0.00 H new ATOM 0 HA LEU A 72 22.282 8.234 -8.668 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.213 6.522 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 72 22.610 6.795 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 72 22.769 4.730 -7.736 1.00 0.00 H new ATOM 0 HD11 LEU A 72 20.775 5.071 -9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 72 20.589 5.870 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 72 21.004 6.830 -9.078 1.00 0.00 H new ATOM 0 HD21 LEU A 72 22.930 4.716 -10.203 1.00 0.00 H new ATOM 0 HD22 LEU A 72 23.309 6.454 -10.170 1.00 0.00 H new ATOM 0 HD23 LEU A 72 24.422 5.286 -9.418 1.00 0.00 H new ATOM 1065 N ALA A 73 24.248 9.645 -6.407 1.00 0.00 N ATOM 1066 CA ALA A 73 24.309 10.670 -5.378 1.00 0.00 C ATOM 1067 C ALA A 73 24.007 12.052 -5.968 1.00 0.00 C ATOM 1068 O ALA A 73 23.496 12.922 -5.263 1.00 0.00 O ATOM 1069 CB ALA A 73 25.697 10.649 -4.738 1.00 0.00 C ATOM 0 H ALA A 73 25.157 9.266 -6.673 1.00 0.00 H new ATOM 0 HA ALA A 73 23.555 10.464 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.753 11.415 -3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 73 25.878 9.670 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.452 10.847 -5.499 1.00 0.00 H new ATOM 1075 N ALA A 74 24.318 12.258 -7.253 1.00 0.00 N ATOM 1076 CA ALA A 74 24.037 13.520 -7.925 1.00 0.00 C ATOM 1077 C ALA A 74 22.541 13.656 -8.213 1.00 0.00 C ATOM 1078 O ALA A 74 22.032 14.768 -8.340 1.00 0.00 O ATOM 1079 CB ALA A 74 24.839 13.581 -9.225 1.00 0.00 C ATOM 0 H ALA A 74 24.766 11.560 -7.846 1.00 0.00 H new ATOM 0 HA ALA A 74 24.329 14.347 -7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.635 14.523 -9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.903 13.514 -8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.552 12.750 -9.869 1.00 0.00 H new ATOM 1085 N ARG A 75 21.840 12.520 -8.314 1.00 0.00 N ATOM 1086 CA ARG A 75 20.400 12.491 -8.549 1.00 0.00 C ATOM 1087 C ARG A 75 19.635 12.393 -7.229 1.00 0.00 C ATOM 1088 O ARG A 75 18.407 12.309 -7.231 1.00 0.00 O ATOM 1089 CB ARG A 75 20.069 11.319 -9.473 1.00 0.00 C ATOM 1090 CG ARG A 75 20.764 11.495 -10.823 1.00 0.00 C ATOM 1091 CD ARG A 75 20.691 10.198 -11.630 1.00 0.00 C ATOM 1092 NE ARG A 75 21.347 10.361 -12.932 1.00 0.00 N ATOM 1093 CZ ARG A 75 20.706 10.678 -14.060 1.00 0.00 C ATOM 1094 NH1 ARG A 75 19.384 10.845 -14.069 1.00 0.00 N ATOM 1095 NH2 ARG A 75 21.393 10.829 -15.185 1.00 0.00 N ATOM 0 H ARG A 75 22.261 11.595 -8.234 1.00 0.00 H new ATOM 0 HA ARG A 75 20.091 13.419 -9.030 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.386 10.383 -9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 75 18.991 11.254 -9.617 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.292 12.305 -11.380 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.805 11.778 -10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.169 9.391 -11.075 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.649 9.912 -11.775 1.00 0.00 H new ATOM 0 HE ARG A 75 22.357 10.224 -12.979 1.00 0.00 H new ATOM 0 HH11 ARG A 75 18.850 10.731 -13.208 1.00 0.00 H new ATOM 0 HH12 ARG A 75 18.906 11.087 -14.937 1.00 0.00 H new ATOM 0 HH21 ARG A 75 22.405 10.703 -15.185 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.909 11.071 -16.050 1.00 0.00 H new ATOM 1109 N ASP A 76 20.364 12.397 -6.106 1.00 0.00 N ATOM 1110 CA ASP A 76 19.807 12.233 -4.766 1.00 0.00 C ATOM 1111 C ASP A 76 19.056 10.897 -4.645 1.00 0.00 C ATOM 1112 O ASP A 76 18.255 10.706 -3.732 1.00 0.00 O ATOM 1113 CB ASP A 76 18.929 13.442 -4.423 1.00 0.00 C ATOM 1114 CG ASP A 76 18.457 13.430 -2.970 1.00 0.00 C ATOM 1115 OD1 ASP A 76 19.182 12.848 -2.130 1.00 0.00 O ATOM 1116 OD2 ASP A 76 17.375 14.008 -2.714 1.00 0.00 O ATOM 0 H ASP A 76 21.377 12.517 -6.108 1.00 0.00 H new ATOM 0 HA ASP A 76 20.615 12.195 -4.035 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.488 14.358 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.062 13.456 -5.083 1.00 0.00 H new ATOM 1121 N ILE A 77 19.314 9.966 -5.572 1.00 0.00 N ATOM 1122 CA ILE A 77 18.737 8.629 -5.531 1.00 0.00 C ATOM 1123 C ILE A 77 19.548 7.757 -4.568 1.00 0.00 C ATOM 1124 O ILE A 77 20.777 7.827 -4.576 1.00 0.00 O ATOM 1125 CB ILE A 77 18.736 8.033 -6.943 1.00 0.00 C ATOM 1126 CG1 ILE A 77 18.022 8.990 -7.905 1.00 0.00 C ATOM 1127 CG2 ILE A 77 18.053 6.666 -6.932 1.00 0.00 C ATOM 1128 CD1 ILE A 77 17.951 8.423 -9.320 1.00 0.00 C ATOM 0 H ILE A 77 19.930 10.125 -6.369 1.00 0.00 H new ATOM 0 HA ILE A 77 17.708 8.674 -5.174 1.00 0.00 H new ATOM 0 HB ILE A 77 19.763 7.900 -7.282 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.013 9.186 -7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.546 9.946 -7.922 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.057 6.249 -7.939 1.00 0.00 H new ATOM 0 HG22 ILE A 77 18.590 5.996 -6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 77 17.024 6.776 -6.588 1.00 0.00 H new ATOM 0 HD11 ILE A 77 17.438 9.131 -9.970 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.960 8.252 -9.694 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.404 7.480 -9.307 1.00 0.00 H new ATOM 1140 N PRO A 78 18.896 6.930 -3.741 1.00 0.00 N ATOM 1141 CA PRO A 78 19.565 6.017 -2.826 1.00 0.00 C ATOM 1142 C PRO A 78 20.355 4.936 -3.565 1.00 0.00 C ATOM 1143 O PRO A 78 20.057 4.608 -4.715 1.00 0.00 O ATOM 1144 CB PRO A 78 18.457 5.387 -1.980 1.00 0.00 C ATOM 1145 CG PRO A 78 17.231 6.268 -2.207 1.00 0.00 C ATOM 1146 CD PRO A 78 17.462 6.850 -3.595 1.00 0.00 C ATOM 0 HA PRO A 78 20.293 6.553 -2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.265 4.358 -2.285 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.733 5.360 -0.926 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.308 5.690 -2.163 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.154 7.050 -1.452 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.023 6.216 -4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 78 17.001 7.833 -3.691 1.00 0.00 H new ATOM 1154 N PHE A 79 21.367 4.378 -2.897 1.00 0.00 N ATOM 1155 CA PHE A 79 22.188 3.317 -3.464 1.00 0.00 C ATOM 1156 C PHE A 79 22.769 2.386 -2.394 1.00 0.00 C ATOM 1157 O PHE A 79 23.141 2.842 -1.312 1.00 0.00 O ATOM 1158 CB PHE A 79 23.284 3.906 -4.360 1.00 0.00 C ATOM 1159 CG PHE A 79 24.085 5.021 -3.725 1.00 0.00 C ATOM 1160 CD1 PHE A 79 23.588 6.331 -3.737 1.00 0.00 C ATOM 1161 CD2 PHE A 79 25.323 4.746 -3.126 1.00 0.00 C ATOM 1162 CE1 PHE A 79 24.324 7.367 -3.148 1.00 0.00 C ATOM 1163 CE2 PHE A 79 26.062 5.787 -2.543 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.562 7.095 -2.554 1.00 0.00 C ATOM 0 H PHE A 79 21.636 4.651 -1.952 1.00 0.00 H new ATOM 0 HA PHE A 79 21.538 2.697 -4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 79 23.966 3.107 -4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 79 22.825 4.282 -5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 79 22.636 6.542 -4.201 1.00 0.00 H new ATOM 0 HD2 PHE A 79 25.706 3.736 -3.113 1.00 0.00 H new ATOM 0 HE1 PHE A 79 23.937 8.375 -3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 79 27.018 5.579 -2.085 1.00 0.00 H new ATOM 0 HZ PHE A 79 26.132 7.894 -2.104 1.00 0.00 H new ATOM 1174 N VAL A 80 22.845 1.087 -2.698 1.00 0.00 N ATOM 1175 CA VAL A 80 23.460 0.097 -1.814 1.00 0.00 C ATOM 1176 C VAL A 80 24.752 -0.415 -2.440 1.00 0.00 C ATOM 1177 O VAL A 80 24.899 -0.400 -3.659 1.00 0.00 O ATOM 1178 CB VAL A 80 22.501 -1.082 -1.563 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.110 -2.087 -0.591 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.190 -0.635 -0.944 1.00 0.00 C ATOM 0 H VAL A 80 22.481 0.693 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 80 23.679 0.573 -0.858 1.00 0.00 H new ATOM 0 HB VAL A 80 22.326 -1.527 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.412 -2.909 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.040 -2.476 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.314 -1.595 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.548 -1.502 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.386 -0.150 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.693 0.068 -1.613 1.00 0.00 H new ATOM 1190 N PHE A 81 25.690 -0.870 -1.608 1.00 0.00 N ATOM 1191 CA PHE A 81 26.877 -1.557 -2.086 1.00 0.00 C ATOM 1192 C PHE A 81 26.813 -3.073 -1.931 1.00 0.00 C ATOM 1193 O PHE A 81 26.005 -3.585 -1.160 1.00 0.00 O ATOM 1194 CB PHE A 81 28.146 -0.944 -1.495 1.00 0.00 C ATOM 1195 CG PHE A 81 28.563 0.331 -2.189 1.00 0.00 C ATOM 1196 CD1 PHE A 81 28.066 1.570 -1.747 1.00 0.00 C ATOM 1197 CD2 PHE A 81 29.441 0.280 -3.280 1.00 0.00 C ATOM 1198 CE1 PHE A 81 28.455 2.750 -2.392 1.00 0.00 C ATOM 1199 CE2 PHE A 81 29.845 1.466 -3.912 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.351 2.698 -3.468 1.00 0.00 C ATOM 0 H PHE A 81 25.644 -0.771 -0.594 1.00 0.00 H new ATOM 0 HA PHE A 81 26.915 -1.399 -3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 81 27.985 -0.739 -0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 81 28.957 -1.669 -1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 81 27.384 1.611 -0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 81 29.807 -0.672 -3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 81 28.064 3.701 -2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 81 30.537 1.428 -4.741 1.00 0.00 H new ATOM 0 HZ PHE A 81 29.661 3.610 -3.956 1.00 0.00 H new ATOM 1210 N ALA A 82 27.661 -3.802 -2.656 1.00 0.00 N ATOM 1211 CA ALA A 82 27.694 -5.250 -2.566 1.00 0.00 C ATOM 1212 C ALA A 82 29.131 -5.732 -2.379 1.00 0.00 C ATOM 1213 O ALA A 82 30.061 -5.166 -2.952 1.00 0.00 O ATOM 1214 CB ALA A 82 27.047 -5.866 -3.811 1.00 0.00 C ATOM 0 H ALA A 82 28.334 -3.406 -3.312 1.00 0.00 H new ATOM 0 HA ALA A 82 27.121 -5.574 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 82 27.076 -6.953 -3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 82 26.011 -5.535 -3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.593 -5.549 -4.699 1.00 0.00 H new ATOM 1220 N THR A 83 29.297 -6.781 -1.572 1.00 0.00 N ATOM 1221 CA THR A 83 30.602 -7.360 -1.265 1.00 0.00 C ATOM 1222 C THR A 83 30.402 -8.872 -1.170 1.00 0.00 C ATOM 1223 O THR A 83 29.283 -9.367 -1.303 1.00 0.00 O ATOM 1224 CB THR A 83 31.110 -6.803 0.069 1.00 0.00 C ATOM 1225 OG1 THR A 83 30.079 -6.796 1.028 1.00 0.00 O ATOM 1226 CG2 THR A 83 31.609 -5.371 -0.121 1.00 0.00 C ATOM 0 H THR A 83 28.521 -7.255 -1.110 1.00 0.00 H new ATOM 0 HA THR A 83 31.337 -7.117 -2.032 1.00 0.00 H new ATOM 0 HB THR A 83 31.923 -7.441 0.415 1.00 0.00 H new ATOM 0 HG1 THR A 83 30.421 -6.439 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 83 31.969 -4.982 0.831 1.00 0.00 H new ATOM 0 HG22 THR A 83 32.422 -5.362 -0.847 1.00 0.00 H new ATOM 0 HG23 THR A 83 30.793 -4.746 -0.483 1.00 0.00 H new ATOM 1234 N GLY A 84 31.487 -9.617 -0.944 1.00 0.00 N ATOM 1235 CA GLY A 84 31.418 -11.067 -0.811 1.00 0.00 C ATOM 1236 C GLY A 84 32.432 -11.563 0.214 1.00 0.00 C ATOM 1237 O GLY A 84 32.884 -10.800 1.066 1.00 0.00 O ATOM 0 H GLY A 84 32.427 -9.233 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 84 30.413 -11.362 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 84 31.610 -11.535 -1.776 1.00 0.00 H new ATOM 1241 N GLY A 85 32.793 -12.844 0.127 1.00 0.00 N ATOM 1242 CA GLY A 85 33.824 -13.428 0.981 1.00 0.00 C ATOM 1243 C GLY A 85 35.208 -12.921 0.581 1.00 0.00 C ATOM 1244 O GLY A 85 36.203 -13.251 1.223 1.00 0.00 O ATOM 0 H GLY A 85 32.380 -13.502 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 85 33.626 -13.176 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 85 33.793 -14.515 0.905 1.00 0.00 H new ATOM 1248 N SER A 86 35.263 -12.116 -0.485 1.00 0.00 N ATOM 1249 CA SER A 86 36.473 -11.479 -0.968 1.00 0.00 C ATOM 1250 C SER A 86 36.099 -10.130 -1.580 1.00 0.00 C ATOM 1251 O SER A 86 34.917 -9.844 -1.769 1.00 0.00 O ATOM 1252 CB SER A 86 37.151 -12.381 -1.997 1.00 0.00 C ATOM 1253 OG SER A 86 36.317 -12.542 -3.126 1.00 0.00 O ATOM 0 H SER A 86 34.441 -11.889 -1.044 1.00 0.00 H new ATOM 0 HA SER A 86 37.174 -11.317 -0.149 1.00 0.00 H new ATOM 0 HB2 SER A 86 38.105 -11.949 -2.299 1.00 0.00 H new ATOM 0 HB3 SER A 86 37.368 -13.353 -1.554 1.00 0.00 H new ATOM 0 HG SER A 86 36.761 -13.120 -3.781 1.00 0.00 H new ATOM 1259 N ASP A 87 37.103 -9.303 -1.883 1.00 0.00 N ATOM 1260 CA ASP A 87 36.887 -7.958 -2.406 1.00 0.00 C ATOM 1261 C ASP A 87 36.017 -7.080 -1.504 1.00 0.00 C ATOM 1262 O ASP A 87 35.520 -6.040 -1.932 1.00 0.00 O ATOM 1263 CB ASP A 87 36.384 -8.003 -3.852 1.00 0.00 C ATOM 1264 CG ASP A 87 37.460 -8.467 -4.834 1.00 0.00 C ATOM 1265 OD1 ASP A 87 38.567 -8.826 -4.372 1.00 0.00 O ATOM 1266 OD2 ASP A 87 37.158 -8.459 -6.051 1.00 0.00 O ATOM 0 H ASP A 87 38.086 -9.550 -1.772 1.00 0.00 H new ATOM 0 HA ASP A 87 37.860 -7.468 -2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 87 35.527 -8.674 -3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 87 36.035 -7.012 -4.143 1.00 0.00 H new ATOM 1271 N ASP A 88 35.829 -7.497 -0.248 1.00 0.00 N ATOM 1272 CA ASP A 88 35.013 -6.769 0.714 1.00 0.00 C ATOM 1273 C ASP A 88 35.673 -5.480 1.203 1.00 0.00 C ATOM 1274 O ASP A 88 35.171 -4.831 2.119 1.00 0.00 O ATOM 1275 CB ASP A 88 34.602 -7.672 1.881 1.00 0.00 C ATOM 1276 CG ASP A 88 35.779 -8.419 2.515 1.00 0.00 C ATOM 1277 OD1 ASP A 88 35.498 -9.303 3.353 1.00 0.00 O ATOM 1278 OD2 ASP A 88 36.940 -8.109 2.164 1.00 0.00 O ATOM 0 H ASP A 88 36.242 -8.352 0.126 1.00 0.00 H new ATOM 0 HA ASP A 88 34.109 -6.462 0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 88 34.112 -7.067 2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 88 33.868 -8.397 1.529 1.00 0.00 H new ATOM 1283 N SER A 89 36.803 -5.115 0.591 1.00 0.00 N ATOM 1284 CA SER A 89 37.516 -3.885 0.905 1.00 0.00 C ATOM 1285 C SER A 89 36.816 -2.693 0.242 1.00 0.00 C ATOM 1286 O SER A 89 37.429 -1.941 -0.514 1.00 0.00 O ATOM 1287 CB SER A 89 38.972 -4.016 0.450 1.00 0.00 C ATOM 1288 OG SER A 89 39.713 -2.888 0.870 1.00 0.00 O ATOM 0 H SER A 89 37.247 -5.671 -0.140 1.00 0.00 H new ATOM 0 HA SER A 89 37.511 -3.711 1.981 1.00 0.00 H new ATOM 0 HB2 SER A 89 39.411 -4.924 0.864 1.00 0.00 H new ATOM 0 HB3 SER A 89 39.016 -4.107 -0.635 1.00 0.00 H new ATOM 0 HG SER A 89 39.292 -2.073 0.525 1.00 0.00 H new ATOM 1294 N VAL A 90 35.522 -2.529 0.529 1.00 0.00 N ATOM 1295 CA VAL A 90 34.717 -1.449 -0.032 1.00 0.00 C ATOM 1296 C VAL A 90 35.340 -0.107 0.350 1.00 0.00 C ATOM 1297 O VAL A 90 35.911 0.042 1.430 1.00 0.00 O ATOM 1298 CB VAL A 90 33.266 -1.575 0.463 1.00 0.00 C ATOM 1299 CG1 VAL A 90 33.194 -1.661 1.989 1.00 0.00 C ATOM 1300 CG2 VAL A 90 32.431 -0.377 0.000 1.00 0.00 C ATOM 0 H VAL A 90 35.005 -3.144 1.158 1.00 0.00 H new ATOM 0 HA VAL A 90 34.699 -1.513 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 90 32.866 -2.495 0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 90 32.153 -1.749 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 90 33.750 -2.534 2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 90 33.628 -0.761 2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 90 31.408 -0.485 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 90 32.861 0.542 0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 90 32.429 -0.334 -1.089 1.00 0.00 H new ATOM 1310 N ASP A 91 35.224 0.868 -0.554 1.00 0.00 N ATOM 1311 CA ASP A 91 35.882 2.158 -0.425 1.00 0.00 C ATOM 1312 C ASP A 91 35.354 2.858 0.828 1.00 0.00 C ATOM 1313 O ASP A 91 34.146 2.881 1.070 1.00 0.00 O ATOM 1314 CB ASP A 91 35.566 2.972 -1.681 1.00 0.00 C ATOM 1315 CG ASP A 91 36.441 4.216 -1.818 1.00 0.00 C ATOM 1316 OD1 ASP A 91 36.400 4.814 -2.915 1.00 0.00 O ATOM 1317 OD2 ASP A 91 37.137 4.552 -0.835 1.00 0.00 O ATOM 0 H ASP A 91 34.664 0.778 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 91 36.962 2.048 -0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 91 35.700 2.341 -2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 91 34.518 3.271 -1.660 1.00 0.00 H new ATOM 1322 N SER A 92 36.260 3.435 1.625 1.00 0.00 N ATOM 1323 CA SER A 92 35.893 4.142 2.848 1.00 0.00 C ATOM 1324 C SER A 92 35.066 5.380 2.521 1.00 0.00 C ATOM 1325 O SER A 92 34.433 5.956 3.403 1.00 0.00 O ATOM 1326 CB SER A 92 37.162 4.525 3.607 1.00 0.00 C ATOM 1327 OG SER A 92 37.925 5.433 2.841 1.00 0.00 O ATOM 0 H SER A 92 37.263 3.423 1.438 1.00 0.00 H new ATOM 0 HA SER A 92 35.284 3.490 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 92 36.901 4.974 4.565 1.00 0.00 H new ATOM 0 HB3 SER A 92 37.751 3.633 3.822 1.00 0.00 H new ATOM 0 HG SER A 92 38.736 5.676 3.334 1.00 0.00 H new ATOM 1333 N ARG A 93 35.068 5.785 1.246 1.00 0.00 N ATOM 1334 CA ARG A 93 34.263 6.896 0.762 1.00 0.00 C ATOM 1335 C ARG A 93 32.771 6.544 0.808 1.00 0.00 C ATOM 1336 O ARG A 93 31.928 7.430 0.686 1.00 0.00 O ATOM 1337 CB ARG A 93 34.727 7.236 -0.655 1.00 0.00 C ATOM 1338 CG ARG A 93 33.930 8.397 -1.245 1.00 0.00 C ATOM 1339 CD ARG A 93 34.570 8.822 -2.562 1.00 0.00 C ATOM 1340 NE ARG A 93 33.787 9.878 -3.207 1.00 0.00 N ATOM 1341 CZ ARG A 93 33.979 11.188 -3.017 1.00 0.00 C ATOM 1342 NH1 ARG A 93 34.932 11.627 -2.193 1.00 0.00 N ATOM 1343 NH2 ARG A 93 33.211 12.065 -3.659 1.00 0.00 N ATOM 0 H ARG A 93 35.634 5.344 0.522 1.00 0.00 H new ATOM 0 HA ARG A 93 34.395 7.769 1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 93 35.786 7.492 -0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 93 34.620 6.359 -1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 93 32.895 8.098 -1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 93 33.913 9.234 -0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 93 35.585 9.176 -2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 93 34.647 7.962 -3.228 1.00 0.00 H new ATOM 0 HE ARG A 93 33.044 9.595 -3.845 1.00 0.00 H new ATOM 0 HH11 ARG A 93 35.525 10.961 -1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 93 35.067 12.629 -2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 93 32.481 11.737 -4.291 1.00 0.00 H new ATOM 0 HH22 ARG A 93 33.352 13.065 -3.519 1.00 0.00 H new ATOM 1357 N PHE A 94 32.449 5.257 0.985 1.00 0.00 N ATOM 1358 CA PHE A 94 31.067 4.791 0.979 1.00 0.00 C ATOM 1359 C PHE A 94 30.770 3.815 2.117 1.00 0.00 C ATOM 1360 O PHE A 94 29.712 3.184 2.127 1.00 0.00 O ATOM 1361 CB PHE A 94 30.746 4.156 -0.370 1.00 0.00 C ATOM 1362 CG PHE A 94 30.896 5.107 -1.533 1.00 0.00 C ATOM 1363 CD1 PHE A 94 29.917 6.078 -1.785 1.00 0.00 C ATOM 1364 CD2 PHE A 94 32.025 5.018 -2.364 1.00 0.00 C ATOM 1365 CE1 PHE A 94 30.065 6.959 -2.863 1.00 0.00 C ATOM 1366 CE2 PHE A 94 32.175 5.904 -3.439 1.00 0.00 C ATOM 1367 CZ PHE A 94 31.193 6.870 -3.691 1.00 0.00 C ATOM 0 H PHE A 94 33.137 4.519 1.135 1.00 0.00 H new ATOM 0 HA PHE A 94 30.427 5.658 1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 94 31.401 3.299 -0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 94 29.724 3.777 -0.350 1.00 0.00 H new ATOM 0 HD1 PHE A 94 29.048 6.147 -1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 94 32.777 4.267 -2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 94 29.310 7.707 -3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 94 33.047 5.842 -4.073 1.00 0.00 H new ATOM 0 HZ PHE A 94 31.305 7.548 -4.525 1.00 0.00 H new ATOM 1377 N ARG A 95 31.685 3.673 3.083 1.00 0.00 N ATOM 1378 CA ARG A 95 31.475 2.786 4.225 1.00 0.00 C ATOM 1379 C ARG A 95 30.370 3.304 5.142 1.00 0.00 C ATOM 1380 O ARG A 95 29.942 2.596 6.049 1.00 0.00 O ATOM 1381 CB ARG A 95 32.786 2.595 4.993 1.00 0.00 C ATOM 1382 CG ARG A 95 33.649 1.539 4.297 1.00 0.00 C ATOM 1383 CD ARG A 95 34.951 1.312 5.073 1.00 0.00 C ATOM 1384 NE ARG A 95 34.690 0.727 6.393 1.00 0.00 N ATOM 1385 CZ ARG A 95 34.600 -0.588 6.624 1.00 0.00 C ATOM 1386 NH1 ARG A 95 34.748 -1.463 5.634 1.00 0.00 N ATOM 1387 NH2 ARG A 95 34.362 -1.034 7.856 1.00 0.00 N ATOM 0 H ARG A 95 32.579 4.164 3.093 1.00 0.00 H new ATOM 0 HA ARG A 95 31.150 1.817 3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 95 33.326 3.540 5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 95 32.576 2.288 6.018 1.00 0.00 H new ATOM 0 HG2 ARG A 95 33.097 0.602 4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 95 33.876 1.859 3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 95 35.606 0.652 4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 95 35.477 2.260 5.190 1.00 0.00 H new ATOM 0 HE ARG A 95 34.570 1.361 7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 95 34.932 -1.134 4.686 1.00 0.00 H new ATOM 0 HH12 ARG A 95 34.677 -2.463 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 95 34.248 -0.373 8.625 1.00 0.00 H new ATOM 0 HH22 ARG A 95 34.294 -2.037 8.031 1.00 0.00 H new ATOM 1401 N ASP A 96 29.904 4.537 4.909 1.00 0.00 N ATOM 1402 CA ASP A 96 28.765 5.095 5.627 1.00 0.00 C ATOM 1403 C ASP A 96 27.431 4.707 4.981 1.00 0.00 C ATOM 1404 O ASP A 96 26.367 4.995 5.532 1.00 0.00 O ATOM 1405 CB ASP A 96 28.904 6.613 5.775 1.00 0.00 C ATOM 1406 CG ASP A 96 29.249 7.322 4.463 1.00 0.00 C ATOM 1407 OD1 ASP A 96 29.503 8.544 4.538 1.00 0.00 O ATOM 1408 OD2 ASP A 96 29.260 6.651 3.409 1.00 0.00 O ATOM 0 H ASP A 96 30.308 5.170 4.219 1.00 0.00 H new ATOM 0 HA ASP A 96 28.763 4.661 6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 96 27.971 7.020 6.165 1.00 0.00 H new ATOM 0 HB3 ASP A 96 29.678 6.830 6.511 1.00 0.00 H new ATOM 1413 N ARG A 97 27.488 4.052 3.818 1.00 0.00 N ATOM 1414 CA ARG A 97 26.311 3.550 3.118 1.00 0.00 C ATOM 1415 C ARG A 97 26.115 2.074 3.457 1.00 0.00 C ATOM 1416 O ARG A 97 27.070 1.399 3.836 1.00 0.00 O ATOM 1417 CB ARG A 97 26.490 3.749 1.607 1.00 0.00 C ATOM 1418 CG ARG A 97 26.816 5.203 1.257 1.00 0.00 C ATOM 1419 CD ARG A 97 25.834 6.189 1.900 1.00 0.00 C ATOM 1420 NE ARG A 97 24.439 5.868 1.561 1.00 0.00 N ATOM 1421 CZ ARG A 97 23.428 5.906 2.439 1.00 0.00 C ATOM 1422 NH1 ARG A 97 23.637 6.233 3.712 1.00 0.00 N ATOM 1423 NH2 ARG A 97 22.194 5.616 2.046 1.00 0.00 N ATOM 0 H ARG A 97 28.364 3.855 3.334 1.00 0.00 H new ATOM 0 HA ARG A 97 25.424 4.100 3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 97 27.290 3.101 1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 97 25.579 3.447 1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 97 27.829 5.435 1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 97 26.796 5.327 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 97 25.958 6.172 2.983 1.00 0.00 H new ATOM 0 HD3 ARG A 97 26.065 7.201 1.568 1.00 0.00 H new ATOM 0 HE ARG A 97 24.229 5.600 0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 97 24.578 6.460 4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 97 22.856 6.257 4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 97 22.014 5.364 1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.425 5.645 2.716 1.00 0.00 H new ATOM 1437 N PRO A 98 24.884 1.557 3.323 1.00 0.00 N ATOM 1438 CA PRO A 98 24.582 0.165 3.580 1.00 0.00 C ATOM 1439 C PRO A 98 25.252 -0.726 2.539 1.00 0.00 C ATOM 1440 O PRO A 98 25.563 -0.279 1.436 1.00 0.00 O ATOM 1441 CB PRO A 98 23.059 0.050 3.509 1.00 0.00 C ATOM 1442 CG PRO A 98 22.644 1.224 2.621 1.00 0.00 C ATOM 1443 CD PRO A 98 23.703 2.286 2.906 1.00 0.00 C ATOM 0 HA PRO A 98 24.955 -0.159 4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 98 22.750 -0.904 3.081 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.606 0.117 4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.631 0.944 1.568 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.644 1.579 2.869 1.00 0.00 H new ATOM 0 HD2 PRO A 98 23.906 2.886 2.019 1.00 0.00 H new ATOM 0 HD3 PRO A 98 23.370 2.972 3.685 1.00 0.00 H new ATOM 1451 N VAL A 99 25.472 -1.994 2.890 1.00 0.00 N ATOM 1452 CA VAL A 99 26.119 -2.931 1.990 1.00 0.00 C ATOM 1453 C VAL A 99 25.606 -4.340 2.250 1.00 0.00 C ATOM 1454 O VAL A 99 25.601 -4.820 3.385 1.00 0.00 O ATOM 1455 CB VAL A 99 27.647 -2.842 2.169 1.00 0.00 C ATOM 1456 CG1 VAL A 99 28.069 -3.036 3.630 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.365 -3.906 1.340 1.00 0.00 C ATOM 0 H VAL A 99 25.209 -2.389 3.793 1.00 0.00 H new ATOM 0 HA VAL A 99 25.881 -2.678 0.957 1.00 0.00 H new ATOM 0 HB VAL A 99 27.927 -1.843 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.154 -2.965 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.610 -2.264 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 99 27.744 -4.017 3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.441 -3.817 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.036 -4.896 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.131 -3.765 0.285 1.00 0.00 H new ATOM 1467 N LEU A 100 25.174 -5.001 1.177 1.00 0.00 N ATOM 1468 CA LEU A 100 24.863 -6.420 1.207 1.00 0.00 C ATOM 1469 C LEU A 100 26.144 -7.201 0.915 1.00 0.00 C ATOM 1470 O LEU A 100 27.051 -6.680 0.269 1.00 0.00 O ATOM 1471 CB LEU A 100 23.771 -6.731 0.185 1.00 0.00 C ATOM 1472 CG LEU A 100 22.437 -6.073 0.559 1.00 0.00 C ATOM 1473 CD1 LEU A 100 21.424 -6.325 -0.549 1.00 0.00 C ATOM 1474 CD2 LEU A 100 21.892 -6.668 1.858 1.00 0.00 C ATOM 0 H LEU A 100 25.032 -4.564 0.266 1.00 0.00 H new ATOM 0 HA LEU A 100 24.487 -6.712 2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.085 -6.383 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 100 23.637 -7.810 0.114 1.00 0.00 H new ATOM 0 HG LEU A 100 22.602 -5.004 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 100 20.474 -5.859 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 100 21.792 -5.899 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 100 21.279 -7.398 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 100 20.945 -6.189 2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 100 21.735 -7.739 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 100 22.607 -6.500 2.663 1.00 0.00 H new ATOM 1486 N GLN A 101 26.227 -8.448 1.377 1.00 0.00 N ATOM 1487 CA GLN A 101 27.458 -9.215 1.285 1.00 0.00 C ATOM 1488 C GLN A 101 27.151 -10.668 0.904 1.00 0.00 C ATOM 1489 O GLN A 101 26.518 -10.916 -0.123 1.00 0.00 O ATOM 1490 CB GLN A 101 28.230 -9.075 2.604 1.00 0.00 C ATOM 1491 CG GLN A 101 29.679 -9.557 2.453 1.00 0.00 C ATOM 1492 CD GLN A 101 30.576 -9.004 3.557 1.00 0.00 C ATOM 1493 OE1 GLN A 101 30.099 -8.443 4.540 1.00 0.00 O ATOM 1494 NE2 GLN A 101 31.887 -9.160 3.398 1.00 0.00 N ATOM 0 H GLN A 101 25.453 -8.945 1.818 1.00 0.00 H new ATOM 0 HA GLN A 101 28.098 -8.828 0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 101 28.222 -8.033 2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 101 27.731 -9.652 3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 101 29.704 -10.646 2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 101 30.066 -9.249 1.482 1.00 0.00 H new ATOM 0 HE21 GLN A 101 32.248 -9.631 2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 101 32.532 -8.808 4.106 1.00 0.00 H new ATOM 1503 N LYS A 102 27.594 -11.625 1.728 1.00 0.00 N ATOM 1504 CA LYS A 102 27.321 -13.046 1.551 1.00 0.00 C ATOM 1505 C LYS A 102 25.811 -13.289 1.482 1.00 0.00 C ATOM 1506 O LYS A 102 25.036 -12.402 1.835 1.00 0.00 O ATOM 1507 CB LYS A 102 28.008 -13.835 2.679 1.00 0.00 C ATOM 1508 CG LYS A 102 27.837 -13.216 4.073 1.00 0.00 C ATOM 1509 CD LYS A 102 26.383 -13.225 4.551 1.00 0.00 C ATOM 1510 CE LYS A 102 26.292 -12.812 6.019 1.00 0.00 C ATOM 1511 NZ LYS A 102 26.994 -13.766 6.898 1.00 0.00 N ATOM 0 H LYS A 102 28.163 -11.424 2.551 1.00 0.00 H new ATOM 0 HA LYS A 102 27.733 -13.400 0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 102 27.609 -14.849 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 102 29.072 -13.914 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 102 28.453 -13.763 4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 102 28.203 -12.190 4.057 1.00 0.00 H new ATOM 0 HD2 LYS A 102 25.790 -12.544 3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 102 25.959 -14.221 4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 102 26.721 -11.818 6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 102 25.245 -12.747 6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 26.373 -14.031 7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 27.246 -14.617 6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 27.859 -13.324 7.269 1.00 0.00 H new ATOM 1525 N PRO A 103 25.376 -14.476 1.030 1.00 0.00 N ATOM 1526 CA PRO A 103 23.970 -14.789 0.875 1.00 0.00 C ATOM 1527 C PRO A 103 23.169 -14.364 2.105 1.00 0.00 C ATOM 1528 O PRO A 103 23.569 -14.615 3.240 1.00 0.00 O ATOM 1529 CB PRO A 103 23.907 -16.293 0.619 1.00 0.00 C ATOM 1530 CG PRO A 103 25.256 -16.594 -0.040 1.00 0.00 C ATOM 1531 CD PRO A 103 26.207 -15.591 0.614 1.00 0.00 C ATOM 0 HA PRO A 103 23.519 -14.243 0.047 1.00 0.00 H new ATOM 0 HB2 PRO A 103 23.777 -16.854 1.545 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.073 -16.556 -0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.570 -17.622 0.141 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.213 -16.460 -1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 103 26.720 -16.036 1.466 1.00 0.00 H new ATOM 0 HD3 PRO A 103 26.976 -15.266 -0.087 1.00 0.00 H new ATOM 1539 N PHE A 104 22.028 -13.715 1.855 1.00 0.00 N ATOM 1540 CA PHE A 104 21.234 -13.048 2.876 1.00 0.00 C ATOM 1541 C PHE A 104 19.788 -13.517 2.943 1.00 0.00 C ATOM 1542 O PHE A 104 19.238 -13.983 1.946 1.00 0.00 O ATOM 1543 CB PHE A 104 21.364 -11.527 2.733 1.00 0.00 C ATOM 1544 CG PHE A 104 21.590 -11.085 1.302 1.00 0.00 C ATOM 1545 CD1 PHE A 104 22.840 -10.581 0.919 1.00 0.00 C ATOM 1546 CD2 PHE A 104 20.562 -11.199 0.356 1.00 0.00 C ATOM 1547 CE1 PHE A 104 23.077 -10.232 -0.417 1.00 0.00 C ATOM 1548 CE2 PHE A 104 20.799 -10.838 -0.980 1.00 0.00 C ATOM 1549 CZ PHE A 104 22.056 -10.360 -1.367 1.00 0.00 C ATOM 0 H PHE A 104 21.628 -13.641 0.920 1.00 0.00 H new ATOM 0 HA PHE A 104 21.646 -13.338 3.843 1.00 0.00 H new ATOM 0 HB2 PHE A 104 20.460 -11.053 3.116 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.192 -11.179 3.350 1.00 0.00 H new ATOM 0 HD1 PHE A 104 23.622 -10.461 1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 104 19.590 -11.564 0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 104 24.048 -9.864 -0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 104 20.009 -10.929 -1.711 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.238 -10.090 -2.397 1.00 0.00 H new ATOM 1559 N THR A 105 19.173 -13.393 4.120 1.00 0.00 N ATOM 1560 CA THR A 105 17.778 -13.755 4.314 1.00 0.00 C ATOM 1561 C THR A 105 16.823 -12.699 3.776 1.00 0.00 C ATOM 1562 O THR A 105 17.252 -11.627 3.351 1.00 0.00 O ATOM 1563 CB THR A 105 17.482 -14.083 5.777 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.223 -12.884 6.480 1.00 0.00 O ATOM 1565 CG2 THR A 105 18.653 -14.803 6.443 1.00 0.00 C ATOM 0 H THR A 105 19.631 -13.039 4.960 1.00 0.00 H new ATOM 0 HA THR A 105 17.606 -14.659 3.730 1.00 0.00 H new ATOM 0 HB THR A 105 16.615 -14.743 5.804 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.031 -13.090 7.419 1.00 0.00 H new ATOM 0 HG21 THR A 105 18.404 -15.019 7.482 1.00 0.00 H new ATOM 0 HG22 THR A 105 18.853 -15.736 5.916 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.539 -14.168 6.407 1.00 0.00 H new ATOM 1573 N MET A 106 15.525 -13.002 3.802 1.00 0.00 N ATOM 1574 CA MET A 106 14.506 -12.061 3.365 1.00 0.00 C ATOM 1575 C MET A 106 14.535 -10.812 4.249 1.00 0.00 C ATOM 1576 O MET A 106 14.168 -9.725 3.811 1.00 0.00 O ATOM 1577 CB MET A 106 13.144 -12.754 3.425 1.00 0.00 C ATOM 1578 CG MET A 106 11.985 -11.843 3.006 1.00 0.00 C ATOM 1579 SD MET A 106 11.817 -11.582 1.220 1.00 0.00 S ATOM 1580 CE MET A 106 12.985 -10.216 0.968 1.00 0.00 C ATOM 0 H MET A 106 15.158 -13.898 4.124 1.00 0.00 H new ATOM 0 HA MET A 106 14.697 -11.744 2.340 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.161 -13.631 2.778 1.00 0.00 H new ATOM 0 HB3 MET A 106 12.969 -13.110 4.440 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.055 -12.267 3.384 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.113 -10.874 3.488 1.00 0.00 H new ATOM 0 HE1 MET A 106 12.870 -9.820 -0.041 1.00 0.00 H new ATOM 0 HE2 MET A 106 12.784 -9.427 1.693 1.00 0.00 H new ATOM 0 HE3 MET A 106 14.004 -10.579 1.101 1.00 0.00 H new ATOM 1590 N ASP A 107 14.979 -10.969 5.502 1.00 0.00 N ATOM 1591 CA ASP A 107 15.114 -9.855 6.429 1.00 0.00 C ATOM 1592 C ASP A 107 16.428 -9.105 6.231 1.00 0.00 C ATOM 1593 O ASP A 107 16.546 -7.950 6.631 1.00 0.00 O ATOM 1594 CB ASP A 107 14.982 -10.356 7.867 1.00 0.00 C ATOM 1595 CG ASP A 107 13.576 -10.864 8.187 1.00 0.00 C ATOM 1596 OD1 ASP A 107 12.694 -10.747 7.308 1.00 0.00 O ATOM 1597 OD2 ASP A 107 13.400 -11.363 9.319 1.00 0.00 O ATOM 0 H ASP A 107 15.252 -11.870 5.894 1.00 0.00 H new ATOM 0 HA ASP A 107 14.311 -9.147 6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.701 -11.158 8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.238 -9.549 8.554 1.00 0.00 H new ATOM 1602 N GLY A 108 17.419 -9.755 5.613 1.00 0.00 N ATOM 1603 CA GLY A 108 18.727 -9.160 5.398 1.00 0.00 C ATOM 1604 C GLY A 108 18.670 -8.069 4.334 1.00 0.00 C ATOM 1605 O GLY A 108 19.303 -7.025 4.480 1.00 0.00 O ATOM 0 H GLY A 108 17.330 -10.705 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 108 19.096 -8.740 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.434 -9.931 5.094 1.00 0.00 H new ATOM 1609 N VAL A 109 17.910 -8.304 3.261 1.00 0.00 N ATOM 1610 CA VAL A 109 17.736 -7.303 2.217 1.00 0.00 C ATOM 1611 C VAL A 109 16.774 -6.211 2.675 1.00 0.00 C ATOM 1612 O VAL A 109 16.887 -5.066 2.243 1.00 0.00 O ATOM 1613 CB VAL A 109 17.262 -7.961 0.916 1.00 0.00 C ATOM 1614 CG1 VAL A 109 18.136 -9.165 0.577 1.00 0.00 C ATOM 1615 CG2 VAL A 109 15.808 -8.418 1.042 1.00 0.00 C ATOM 0 H VAL A 109 17.409 -9.177 3.097 1.00 0.00 H new ATOM 0 HA VAL A 109 18.699 -6.833 2.019 1.00 0.00 H new ATOM 0 HB VAL A 109 17.339 -7.221 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 109 17.785 -9.620 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 109 19.169 -8.841 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 109 18.078 -9.895 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.490 -8.882 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 109 15.723 -9.140 1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.173 -7.558 1.254 1.00 0.00 H new ATOM 1625 N ALA A 110 15.829 -6.562 3.548 1.00 0.00 N ATOM 1626 CA ALA A 110 14.890 -5.601 4.095 1.00 0.00 C ATOM 1627 C ALA A 110 15.625 -4.646 5.038 1.00 0.00 C ATOM 1628 O ALA A 110 15.181 -3.517 5.248 1.00 0.00 O ATOM 1629 CB ALA A 110 13.783 -6.349 4.831 1.00 0.00 C ATOM 0 H ALA A 110 15.699 -7.514 3.889 1.00 0.00 H new ATOM 0 HA ALA A 110 14.443 -5.013 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.073 -5.633 5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.267 -7.011 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.217 -6.938 5.639 1.00 0.00 H new ATOM 1635 N LYS A 111 16.751 -5.097 5.603 1.00 0.00 N ATOM 1636 CA LYS A 111 17.556 -4.293 6.505 1.00 0.00 C ATOM 1637 C LYS A 111 18.319 -3.229 5.724 1.00 0.00 C ATOM 1638 O LYS A 111 18.434 -2.092 6.179 1.00 0.00 O ATOM 1639 CB LYS A 111 18.522 -5.217 7.242 1.00 0.00 C ATOM 1640 CG LYS A 111 19.336 -4.439 8.276 1.00 0.00 C ATOM 1641 CD LYS A 111 20.322 -5.384 8.957 1.00 0.00 C ATOM 1642 CE LYS A 111 19.601 -6.435 9.805 1.00 0.00 C ATOM 1643 NZ LYS A 111 18.840 -5.814 10.908 1.00 0.00 N ATOM 0 H LYS A 111 17.123 -6.033 5.442 1.00 0.00 H new ATOM 0 HA LYS A 111 16.916 -3.783 7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 111 17.965 -6.013 7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.193 -5.693 6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 111 19.872 -3.622 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.673 -3.992 9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.932 -5.881 8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 111 21.001 -4.810 9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 111 18.924 -7.011 9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 111 20.329 -7.136 10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 18.593 -6.540 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 19.421 -5.079 11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 17.970 -5.386 10.532 1.00 0.00 H new ATOM 1657 N ALA A 112 18.841 -3.595 4.551 1.00 0.00 N ATOM 1658 CA ALA A 112 19.603 -2.675 3.722 1.00 0.00 C ATOM 1659 C ALA A 112 18.681 -1.660 3.046 1.00 0.00 C ATOM 1660 O ALA A 112 19.032 -0.487 2.931 1.00 0.00 O ATOM 1661 CB ALA A 112 20.378 -3.473 2.673 1.00 0.00 C ATOM 0 H ALA A 112 18.745 -4.531 4.157 1.00 0.00 H new ATOM 0 HA ALA A 112 20.301 -2.122 4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 112 20.952 -2.790 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.056 -4.166 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.679 -4.033 2.052 1.00 0.00 H new ATOM 1667 N LEU A 113 17.500 -2.102 2.602 1.00 0.00 N ATOM 1668 CA LEU A 113 16.547 -1.213 1.948 1.00 0.00 C ATOM 1669 C LEU A 113 15.965 -0.225 2.962 1.00 0.00 C ATOM 1670 O LEU A 113 15.531 0.861 2.582 1.00 0.00 O ATOM 1671 CB LEU A 113 15.432 -2.046 1.309 1.00 0.00 C ATOM 1672 CG LEU A 113 15.952 -2.867 0.122 1.00 0.00 C ATOM 1673 CD1 LEU A 113 14.871 -3.850 -0.323 1.00 0.00 C ATOM 1674 CD2 LEU A 113 16.300 -1.961 -1.054 1.00 0.00 C ATOM 0 H LEU A 113 17.186 -3.069 2.685 1.00 0.00 H new ATOM 0 HA LEU A 113 17.057 -0.644 1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.003 -2.715 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.631 -1.387 0.974 1.00 0.00 H new ATOM 0 HG LEU A 113 16.849 -3.399 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.237 -4.436 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.624 -4.518 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.980 -3.299 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 113 16.666 -2.566 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.411 -1.415 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.072 -1.253 -0.752 1.00 0.00 H new ATOM 1686 N ALA A 114 15.955 -0.593 4.245 1.00 0.00 N ATOM 1687 CA ALA A 114 15.513 0.307 5.300 1.00 0.00 C ATOM 1688 C ALA A 114 16.633 1.278 5.676 1.00 0.00 C ATOM 1689 O ALA A 114 16.367 2.359 6.201 1.00 0.00 O ATOM 1690 CB ALA A 114 15.085 -0.516 6.512 1.00 0.00 C ATOM 0 H ALA A 114 16.250 -1.512 4.574 1.00 0.00 H new ATOM 0 HA ALA A 114 14.665 0.893 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.753 0.152 7.306 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.268 -1.180 6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.929 -1.109 6.866 1.00 0.00 H new ATOM 1696 N ALA A 115 17.887 0.893 5.409 1.00 0.00 N ATOM 1697 CA ALA A 115 19.042 1.732 5.693 1.00 0.00 C ATOM 1698 C ALA A 115 19.221 2.804 4.617 1.00 0.00 C ATOM 1699 O ALA A 115 19.969 3.753 4.816 1.00 0.00 O ATOM 1700 CB ALA A 115 20.289 0.862 5.811 1.00 0.00 C ATOM 0 H ALA A 115 18.122 -0.007 4.991 1.00 0.00 H new ATOM 0 HA ALA A 115 18.879 2.246 6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 115 21.153 1.492 6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 115 20.156 0.143 6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.450 0.329 4.874 1.00 0.00 H new ATOM 1706 N LEU A 116 18.540 2.666 3.473 1.00 0.00 N ATOM 1707 CA LEU A 116 18.551 3.705 2.451 1.00 0.00 C ATOM 1708 C LEU A 116 17.897 4.987 2.975 1.00 0.00 C ATOM 1709 O LEU A 116 18.031 6.042 2.353 1.00 0.00 O ATOM 1710 CB LEU A 116 17.812 3.207 1.204 1.00 0.00 C ATOM 1711 CG LEU A 116 18.588 2.089 0.500 1.00 0.00 C ATOM 1712 CD1 LEU A 116 17.780 1.610 -0.707 1.00 0.00 C ATOM 1713 CD2 LEU A 116 19.944 2.601 0.016 1.00 0.00 C ATOM 0 H LEU A 116 17.979 1.847 3.238 1.00 0.00 H new ATOM 0 HA LEU A 116 19.585 3.932 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 116 16.824 2.843 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.661 4.037 0.514 1.00 0.00 H new ATOM 0 HG LEU A 116 18.748 1.272 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 116 18.323 0.814 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 116 16.814 1.233 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 116 17.626 2.441 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 116 20.481 1.794 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 116 19.794 3.423 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 116 20.525 2.953 0.868 1.00 0.00 H new ATOM 1725 N LEU A 117 17.196 4.900 4.111 1.00 0.00 N ATOM 1726 CA LEU A 117 16.562 6.054 4.735 1.00 0.00 C ATOM 1727 C LEU A 117 17.500 6.693 5.768 1.00 0.00 C ATOM 1728 O LEU A 117 17.120 7.677 6.403 1.00 0.00 O ATOM 1729 CB LEU A 117 15.245 5.632 5.398 1.00 0.00 C ATOM 1730 CG LEU A 117 14.117 5.434 4.375 1.00 0.00 C ATOM 1731 CD1 LEU A 117 14.340 4.198 3.502 1.00 0.00 C ATOM 1732 CD2 LEU A 117 12.800 5.259 5.124 1.00 0.00 C ATOM 0 H LEU A 117 17.056 4.027 4.619 1.00 0.00 H new ATOM 0 HA LEU A 117 16.348 6.795 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 117 15.399 4.705 5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.947 6.389 6.123 1.00 0.00 H new ATOM 0 HG LEU A 117 14.098 6.311 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 117 13.517 4.099 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 117 15.278 4.303 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.385 3.310 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 117 11.990 5.117 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 117 12.865 4.387 5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 117 12.602 6.147 5.725 1.00 0.00 H new ATOM 1744 N VAL A 118 18.710 6.144 5.941 1.00 0.00 N ATOM 1745 CA VAL A 118 19.673 6.631 6.930 1.00 0.00 C ATOM 1746 C VAL A 118 21.052 6.907 6.334 1.00 0.00 C ATOM 1747 O VAL A 118 21.842 7.586 7.028 1.00 0.00 O ATOM 1748 CB VAL A 118 19.728 5.707 8.154 1.00 0.00 C ATOM 1749 CG1 VAL A 118 18.351 5.120 8.474 1.00 0.00 C ATOM 1750 CG2 VAL A 118 20.715 4.561 7.950 1.00 0.00 C ATOM 0 H VAL A 118 19.046 5.349 5.397 1.00 0.00 H new ATOM 0 HA VAL A 118 19.312 7.600 7.275 1.00 0.00 H new ATOM 0 HB VAL A 118 20.062 6.323 8.989 1.00 0.00 H new ATOM 0 HG11 VAL A 118 18.426 4.471 9.346 1.00 0.00 H new ATOM 0 HG12 VAL A 118 17.650 5.928 8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.995 4.542 7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 118 20.726 3.928 8.837 1.00 0.00 H new ATOM 0 HG22 VAL A 118 20.412 3.969 7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 118 21.713 4.966 7.780 1.00 0.00 H new TER 1760 VAL A 118