USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 798 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 86 MET CE :methyl 136:sc= -0.401 (180deg=-0.397) USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 67 THR OG1 : rot 180:sc= -0.746! USER MOD Set 2.2: A 69 SER OG : rot 42:sc= 0.024 USER MOD Single : A 9 MET CE :methyl -173:sc= -3.44 (180deg=-3.95) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 26:sc= 0.0282 USER MOD Single : A 22 HIS : no HD1:sc= -1.8! K(o=-1.8!,f=-2.3) USER MOD Single : A 24 THR OG1 : rot 171:sc= -0.684 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.307 K(o=-0.31,f=-5!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.267 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -3.22 K(o=-3.2,f=-4!) USER MOD Single : A 38 GLN : amide:sc= 0.00896 X(o=0.009,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 41:sc= 0.756 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 0.124 (180deg=-0.871!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -3.91! C(o=-3.9!,f=-3.6!) USER MOD Single : A 57 ASN : amide:sc= -2.12! C(o=-2.1!,f=-1.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 44:sc= 0.965 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.19) USER MOD Single : A 79 THR OG1 : rot 7:sc= 0.131 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -106:sc= -1.14 USER MOD Single : A 89 LYS NZ :NH3+ -117:sc= -0.735 (180deg=-3.95!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 100:sc= -1.35 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 97 SER OG : rot -74:sc= -0.82 USER MOD Single : A 98 MET CE :methyl -178:sc= 0 (180deg=-0.00424) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= -1.87 K(o=-1.9,f=-2.9!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 178:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 80 N MET A 9 13.915 -2.993 9.413 1.00 0.00 N ATOM 81 CA MET A 9 13.546 -1.597 9.616 1.00 0.00 C ATOM 82 C MET A 9 12.097 -1.480 10.079 1.00 0.00 C ATOM 83 O MET A 9 11.367 -2.470 10.119 1.00 0.00 O ATOM 84 CB MET A 9 13.747 -0.802 8.325 1.00 0.00 C ATOM 85 CG MET A 9 15.176 -0.329 8.118 1.00 0.00 C ATOM 86 SD MET A 9 15.272 1.200 7.168 1.00 0.00 S ATOM 87 CE MET A 9 14.355 0.744 5.699 1.00 0.00 C ATOM 0 HA MET A 9 14.191 -1.185 10.392 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.452 -1.421 7.478 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.084 0.063 8.334 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.649 -0.179 9.089 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.741 -1.107 7.605 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.430 1.542 4.961 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.768 -0.175 5.283 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.308 0.587 5.958 1.00 0.00 H new ATOM 97 N MET A 10 11.688 -0.264 10.427 1.00 0.00 N ATOM 98 CA MET A 10 10.326 -0.019 10.886 1.00 0.00 C ATOM 99 C MET A 10 9.413 0.331 9.716 1.00 0.00 C ATOM 100 O MET A 10 9.727 1.184 8.885 1.00 0.00 O ATOM 101 CB MET A 10 10.309 1.111 11.918 1.00 0.00 C ATOM 102 CG MET A 10 10.895 0.715 13.263 1.00 0.00 C ATOM 103 SD MET A 10 10.007 -0.654 14.031 1.00 0.00 S ATOM 104 CE MET A 10 11.367 -1.732 14.475 1.00 0.00 C ATOM 0 H MET A 10 12.280 0.566 10.400 1.00 0.00 H new ATOM 0 HA MET A 10 9.956 -0.932 11.352 1.00 0.00 H new ATOM 0 HB2 MET A 10 10.867 1.960 11.524 1.00 0.00 H new ATOM 0 HB3 MET A 10 9.281 1.444 12.063 1.00 0.00 H new ATOM 0 HG2 MET A 10 11.941 0.437 13.132 1.00 0.00 H new ATOM 0 HG3 MET A 10 10.876 1.576 13.931 1.00 0.00 H new ATOM 0 HE1 MET A 10 10.978 -2.626 14.962 1.00 0.00 H new ATOM 0 HE2 MET A 10 11.914 -2.017 13.576 1.00 0.00 H new ATOM 0 HE3 MET A 10 12.037 -1.210 15.158 1.00 0.00 H new ATOM 114 N PRO A 11 8.254 -0.342 9.646 1.00 0.00 N ATOM 115 CA PRO A 11 7.272 -0.118 8.582 1.00 0.00 C ATOM 116 C PRO A 11 6.589 1.240 8.699 1.00 0.00 C ATOM 117 O PRO A 11 6.674 1.919 9.723 1.00 0.00 O ATOM 118 CB PRO A 11 6.259 -1.246 8.791 1.00 0.00 C ATOM 119 CG PRO A 11 6.373 -1.594 10.235 1.00 0.00 C ATOM 120 CD PRO A 11 7.814 -1.372 10.602 1.00 0.00 C ATOM 0 HA PRO A 11 7.734 -0.119 7.595 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.249 -0.922 8.540 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.485 -2.104 8.158 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.716 -0.970 10.840 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.080 -2.629 10.411 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.919 -1.034 11.633 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.399 -2.287 10.505 1.00 0.00 H new ATOM 128 N PRO A 12 5.894 1.648 7.627 1.00 0.00 N ATOM 129 CA PRO A 12 5.181 2.929 7.586 1.00 0.00 C ATOM 130 C PRO A 12 3.964 2.945 8.504 1.00 0.00 C ATOM 131 O PRO A 12 3.651 1.947 9.154 1.00 0.00 O ATOM 132 CB PRO A 12 4.749 3.048 6.122 1.00 0.00 C ATOM 133 CG PRO A 12 4.676 1.642 5.633 1.00 0.00 C ATOM 134 CD PRO A 12 5.749 0.891 6.372 1.00 0.00 C ATOM 0 HA PRO A 12 5.805 3.754 7.929 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.785 3.549 6.033 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.466 3.632 5.544 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.694 1.212 5.828 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.837 1.594 4.556 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.460 -0.143 6.558 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.682 0.865 5.809 1.00 0.00 H new ATOM 142 N VAL A 13 3.279 4.083 8.552 1.00 0.00 N ATOM 143 CA VAL A 13 2.095 4.228 9.390 1.00 0.00 C ATOM 144 C VAL A 13 1.095 5.196 8.765 1.00 0.00 C ATOM 145 O VAL A 13 1.342 5.756 7.699 1.00 0.00 O ATOM 146 CB VAL A 13 2.462 4.726 10.800 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.423 3.759 11.474 1.00 0.00 C ATOM 148 CG2 VAL A 13 3.058 6.124 10.733 1.00 0.00 C ATOM 0 H VAL A 13 3.524 4.918 8.020 1.00 0.00 H new ATOM 0 HA VAL A 13 1.640 3.240 9.469 1.00 0.00 H new ATOM 0 HB VAL A 13 1.552 4.773 11.398 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.671 4.127 12.469 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.954 2.778 11.556 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.333 3.677 10.880 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.311 6.460 11.738 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.958 6.107 10.118 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.332 6.808 10.294 1.00 0.00 H new ATOM 158 N GLY A 14 -0.035 5.387 9.439 1.00 0.00 N ATOM 159 CA GLY A 14 -1.055 6.288 8.935 1.00 0.00 C ATOM 160 C GLY A 14 -1.571 5.875 7.571 1.00 0.00 C ATOM 161 O GLY A 14 -2.079 6.703 6.815 1.00 0.00 O ATOM 0 H GLY A 14 -0.262 4.934 10.324 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.886 6.321 9.640 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.647 7.297 8.875 1.00 0.00 H new ATOM 165 N VAL A 15 -1.438 4.591 7.253 1.00 0.00 N ATOM 166 CA VAL A 15 -1.894 4.070 5.970 1.00 0.00 C ATOM 167 C VAL A 15 -3.408 4.184 5.837 1.00 0.00 C ATOM 168 O VAL A 15 -4.155 3.603 6.625 1.00 0.00 O ATOM 169 CB VAL A 15 -1.483 2.597 5.785 1.00 0.00 C ATOM 170 CG1 VAL A 15 -1.833 2.117 4.385 1.00 0.00 C ATOM 171 CG2 VAL A 15 0.002 2.420 6.062 1.00 0.00 C ATOM 0 H VAL A 15 -1.018 3.893 7.866 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.418 4.673 5.196 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.038 1.990 6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.535 1.074 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.908 2.206 4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.307 2.726 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.275 1.373 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.577 3.037 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.220 2.722 7.086 1.00 0.00 H new ATOM 181 N GLN A 16 -3.854 4.935 4.836 1.00 0.00 N ATOM 182 CA GLN A 16 -5.280 5.125 4.600 1.00 0.00 C ATOM 183 C GLN A 16 -5.668 4.660 3.200 1.00 0.00 C ATOM 184 O GLN A 16 -4.807 4.430 2.352 1.00 0.00 O ATOM 185 CB GLN A 16 -5.657 6.596 4.784 1.00 0.00 C ATOM 186 CG GLN A 16 -7.143 6.869 4.616 1.00 0.00 C ATOM 187 CD GLN A 16 -7.519 8.295 4.968 1.00 0.00 C ATOM 188 OE1 GLN A 16 -8.465 8.533 5.719 1.00 0.00 O ATOM 189 NE2 GLN A 16 -6.777 9.254 4.426 1.00 0.00 N ATOM 0 H GLN A 16 -3.249 5.422 4.175 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.826 4.523 5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.347 6.920 5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.102 7.197 4.064 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.431 6.666 3.585 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.708 6.182 5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.002 9.012 3.809 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.982 10.233 4.627 1.00 0.00 H new ATOM 198 N ALA A 17 -6.969 4.522 2.967 1.00 0.00 N ATOM 199 CA ALA A 17 -7.470 4.085 1.670 1.00 0.00 C ATOM 200 C ALA A 17 -8.605 4.983 1.189 1.00 0.00 C ATOM 201 O ALA A 17 -9.741 4.864 1.648 1.00 0.00 O ATOM 202 CB ALA A 17 -7.934 2.638 1.743 1.00 0.00 C ATOM 0 H ALA A 17 -7.695 4.707 3.659 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.655 4.157 0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.306 2.325 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.098 2.002 2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.732 2.548 2.481 1.00 0.00 H new ATOM 208 N SER A 18 -8.290 5.882 0.262 1.00 0.00 N ATOM 209 CA SER A 18 -9.283 6.804 -0.277 1.00 0.00 C ATOM 210 C SER A 18 -9.843 6.286 -1.598 1.00 0.00 C ATOM 211 O SER A 18 -9.121 5.697 -2.403 1.00 0.00 O ATOM 212 CB SER A 18 -8.666 8.189 -0.480 1.00 0.00 C ATOM 213 OG SER A 18 -8.740 8.959 0.707 1.00 0.00 O ATOM 0 H SER A 18 -7.355 5.992 -0.131 1.00 0.00 H new ATOM 0 HA SER A 18 -10.100 6.880 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.625 8.086 -0.786 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.185 8.707 -1.286 1.00 0.00 H new ATOM 0 HG SER A 18 -8.338 9.839 0.552 1.00 0.00 H new ATOM 219 N ILE A 19 -11.135 6.510 -1.813 1.00 0.00 N ATOM 220 CA ILE A 19 -11.793 6.067 -3.036 1.00 0.00 C ATOM 221 C ILE A 19 -12.161 7.252 -3.923 1.00 0.00 C ATOM 222 O ILE A 19 -12.844 8.180 -3.487 1.00 0.00 O ATOM 223 CB ILE A 19 -13.066 5.256 -2.729 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.799 4.253 -1.605 1.00 0.00 C ATOM 225 CG2 ILE A 19 -13.554 4.541 -3.980 1.00 0.00 C ATOM 226 CD1 ILE A 19 -11.868 3.130 -2.006 1.00 0.00 C ATOM 0 H ILE A 19 -11.747 6.995 -1.157 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.083 5.429 -3.562 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.846 5.943 -2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.372 4.781 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.747 3.828 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.454 3.972 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -13.779 5.275 -4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.779 3.863 -4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.724 2.457 -1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.302 2.578 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.906 3.545 -2.308 1.00 0.00 H new ATOM 238 N LEU A 20 -11.705 7.214 -5.170 1.00 0.00 N ATOM 239 CA LEU A 20 -11.987 8.284 -6.120 1.00 0.00 C ATOM 240 C LEU A 20 -12.898 7.792 -7.240 1.00 0.00 C ATOM 241 O LEU A 20 -13.852 8.470 -7.621 1.00 0.00 O ATOM 242 CB LEU A 20 -10.683 8.827 -6.709 1.00 0.00 C ATOM 243 CG LEU A 20 -9.524 8.999 -5.728 1.00 0.00 C ATOM 244 CD1 LEU A 20 -10.006 9.651 -4.441 1.00 0.00 C ATOM 245 CD2 LEU A 20 -8.868 7.657 -5.435 1.00 0.00 C ATOM 0 H LEU A 20 -11.139 6.454 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.499 9.085 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.361 8.157 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.890 9.793 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.780 9.652 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.167 9.765 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.428 10.631 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.769 9.025 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.045 7.800 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.603 6.980 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.486 7.229 -6.362 1.00 0.00 H new ATOM 257 N SER A 21 -12.598 6.607 -7.762 1.00 0.00 N ATOM 258 CA SER A 21 -13.390 6.024 -8.839 1.00 0.00 C ATOM 259 C SER A 21 -13.459 4.506 -8.703 1.00 0.00 C ATOM 260 O SER A 21 -12.854 3.924 -7.802 1.00 0.00 O ATOM 261 CB SER A 21 -12.794 6.398 -10.198 1.00 0.00 C ATOM 262 OG SER A 21 -13.319 7.630 -10.663 1.00 0.00 O ATOM 0 H SER A 21 -11.813 6.032 -7.457 1.00 0.00 H new ATOM 0 HA SER A 21 -14.402 6.424 -8.770 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.709 6.469 -10.116 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.008 5.611 -10.922 1.00 0.00 H new ATOM 0 HG SER A 21 -13.603 8.174 -9.899 1.00 0.00 H new ATOM 268 N HIS A 22 -14.202 3.870 -9.603 1.00 0.00 N ATOM 269 CA HIS A 22 -14.351 2.420 -9.585 1.00 0.00 C ATOM 270 C HIS A 22 -13.020 1.733 -9.877 1.00 0.00 C ATOM 271 O HIS A 22 -12.838 0.555 -9.570 1.00 0.00 O ATOM 272 CB HIS A 22 -15.400 1.980 -10.606 1.00 0.00 C ATOM 273 CG HIS A 22 -14.985 2.208 -12.027 1.00 0.00 C ATOM 274 ND1 HIS A 22 -14.848 3.464 -12.579 1.00 0.00 N ATOM 275 CD2 HIS A 22 -14.675 1.331 -13.010 1.00 0.00 C ATOM 276 CE1 HIS A 22 -14.473 3.350 -13.840 1.00 0.00 C ATOM 277 NE2 HIS A 22 -14.360 2.066 -14.127 1.00 0.00 N ATOM 0 H HIS A 22 -14.710 4.337 -10.354 1.00 0.00 H new ATOM 0 HA HIS A 22 -14.680 2.127 -8.588 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.612 0.920 -10.464 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.328 2.519 -10.416 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.675 0.254 -12.931 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -14.290 4.168 -14.521 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -14.084 1.682 -15.031 1.00 0.00 H new ATOM 286 N ASP A 23 -12.095 2.477 -10.473 1.00 0.00 N ATOM 287 CA ASP A 23 -10.781 1.940 -10.807 1.00 0.00 C ATOM 288 C ASP A 23 -9.675 2.885 -10.348 1.00 0.00 C ATOM 289 O ASP A 23 -8.564 2.864 -10.880 1.00 0.00 O ATOM 290 CB ASP A 23 -10.672 1.700 -12.314 1.00 0.00 C ATOM 291 CG ASP A 23 -9.446 0.889 -12.684 1.00 0.00 C ATOM 292 OD1 ASP A 23 -8.374 1.494 -12.889 1.00 0.00 O ATOM 293 OD2 ASP A 23 -9.560 -0.352 -12.770 1.00 0.00 O ATOM 0 H ASP A 23 -12.231 3.453 -10.735 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.661 0.990 -10.287 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.565 1.182 -12.662 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.639 2.659 -12.830 1.00 0.00 H new ATOM 298 N THR A 24 -9.986 3.715 -9.358 1.00 0.00 N ATOM 299 CA THR A 24 -9.020 4.670 -8.829 1.00 0.00 C ATOM 300 C THR A 24 -9.041 4.687 -7.305 1.00 0.00 C ATOM 301 O THR A 24 -10.107 4.721 -6.690 1.00 0.00 O ATOM 302 CB THR A 24 -9.294 6.094 -9.350 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.585 6.054 -10.752 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.098 7.001 -9.101 1.00 0.00 C ATOM 0 H THR A 24 -10.900 3.745 -8.906 1.00 0.00 H new ATOM 0 HA THR A 24 -8.037 4.348 -9.173 1.00 0.00 H new ATOM 0 HB THR A 24 -10.152 6.496 -8.812 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.899 6.935 -11.046 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.315 8.001 -9.477 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.896 7.052 -8.031 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.225 6.601 -9.616 1.00 0.00 H new ATOM 312 N ILE A 25 -7.857 4.663 -6.701 1.00 0.00 N ATOM 313 CA ILE A 25 -7.741 4.677 -5.248 1.00 0.00 C ATOM 314 C ILE A 25 -6.390 5.232 -4.810 1.00 0.00 C ATOM 315 O ILE A 25 -5.341 4.755 -5.244 1.00 0.00 O ATOM 316 CB ILE A 25 -7.920 3.267 -4.656 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.277 2.688 -5.061 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.788 3.308 -3.141 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.510 1.282 -4.554 1.00 0.00 C ATOM 0 H ILE A 25 -6.965 4.634 -7.195 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.535 5.323 -4.874 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.137 2.621 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.067 3.337 -4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.354 2.691 -6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.917 2.304 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.801 3.683 -2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.552 3.966 -2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.491 0.936 -4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.741 0.620 -4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.465 1.276 -3.465 1.00 0.00 H new ATOM 331 N ARG A 26 -6.423 6.242 -3.947 1.00 0.00 N ATOM 332 CA ARG A 26 -5.202 6.862 -3.449 1.00 0.00 C ATOM 333 C ARG A 26 -4.800 6.268 -2.102 1.00 0.00 C ATOM 334 O ARG A 26 -5.630 6.125 -1.204 1.00 0.00 O ATOM 335 CB ARG A 26 -5.390 8.374 -3.316 1.00 0.00 C ATOM 336 CG ARG A 26 -4.106 9.167 -3.502 1.00 0.00 C ATOM 337 CD ARG A 26 -4.274 10.612 -3.059 1.00 0.00 C ATOM 338 NE ARG A 26 -3.099 11.420 -3.371 1.00 0.00 N ATOM 339 CZ ARG A 26 -2.824 11.879 -4.587 1.00 0.00 C ATOM 340 NH1 ARG A 26 -3.637 11.611 -5.600 1.00 0.00 N ATOM 341 NH2 ARG A 26 -1.734 12.608 -4.792 1.00 0.00 N ATOM 0 H ARG A 26 -7.283 6.648 -3.578 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.405 6.663 -4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.122 8.707 -4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.804 8.595 -2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.303 8.701 -2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.808 9.139 -4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.149 11.041 -3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.460 10.643 -1.985 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.454 11.645 -2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.476 11.051 -5.446 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.424 11.965 -6.533 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.106 12.816 -4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.524 12.960 -5.726 1.00 0.00 H new ATOM 355 N ILE A 27 -3.524 5.924 -1.970 1.00 0.00 N ATOM 356 CA ILE A 27 -3.013 5.346 -0.733 1.00 0.00 C ATOM 357 C ILE A 27 -1.856 6.171 -0.178 1.00 0.00 C ATOM 358 O ILE A 27 -0.751 6.156 -0.722 1.00 0.00 O ATOM 359 CB ILE A 27 -2.540 3.895 -0.942 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.629 3.078 -1.641 1.00 0.00 C ATOM 361 CG2 ILE A 27 -2.167 3.263 0.390 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.779 2.702 -0.733 1.00 0.00 C ATOM 0 H ILE A 27 -2.825 6.035 -2.704 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.836 5.351 -0.019 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.654 3.904 -1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.015 3.649 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.185 2.169 -2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.835 2.238 0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.363 3.836 0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.036 3.262 1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.513 2.125 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.406 2.103 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.248 3.607 -0.347 1.00 0.00 H new ATOM 374 N THR A 28 -2.116 6.889 0.910 1.00 0.00 N ATOM 375 CA THR A 28 -1.098 7.719 1.540 1.00 0.00 C ATOM 376 C THR A 28 -0.644 7.120 2.866 1.00 0.00 C ATOM 377 O THR A 28 -1.376 6.358 3.497 1.00 0.00 O ATOM 378 CB THR A 28 -1.612 9.150 1.785 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.838 9.111 2.523 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.831 9.879 0.468 1.00 0.00 C ATOM 0 H THR A 28 -3.024 6.912 1.373 1.00 0.00 H new ATOM 0 HA THR A 28 -0.252 7.758 0.853 1.00 0.00 H new ATOM 0 HB THR A 28 -0.859 9.689 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.157 10.025 2.676 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.194 10.887 0.666 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.890 9.933 -0.079 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.567 9.339 -0.129 1.00 0.00 H new ATOM 388 N TRP A 29 0.568 7.470 3.284 1.00 0.00 N ATOM 389 CA TRP A 29 1.119 6.967 4.537 1.00 0.00 C ATOM 390 C TRP A 29 2.176 7.918 5.087 1.00 0.00 C ATOM 391 O TRP A 29 2.455 8.960 4.495 1.00 0.00 O ATOM 392 CB TRP A 29 1.723 5.577 4.331 1.00 0.00 C ATOM 393 CG TRP A 29 2.788 5.543 3.276 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.117 5.806 3.445 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.612 5.229 1.890 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.778 5.675 2.248 1.00 0.00 N ATOM 397 CE2 TRP A 29 3.877 5.321 1.279 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.509 4.878 1.107 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.067 5.075 -0.079 1.00 0.00 C ATOM 400 CZ3 TRP A 29 1.699 4.634 -0.240 1.00 0.00 C ATOM 401 CH2 TRP A 29 2.970 4.733 -0.821 1.00 0.00 C ATOM 0 H TRP A 29 1.187 8.100 2.774 1.00 0.00 H new ATOM 0 HA TRP A 29 0.307 6.898 5.261 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.144 5.228 5.274 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.930 4.881 4.059 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.580 6.077 4.382 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.778 5.818 2.104 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.526 4.799 1.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.045 5.152 -0.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.854 4.363 -0.855 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.086 4.535 -1.876 1.00 0.00 H new ATOM 412 N ALA A 30 2.761 7.552 6.223 1.00 0.00 N ATOM 413 CA ALA A 30 3.790 8.372 6.851 1.00 0.00 C ATOM 414 C ALA A 30 4.872 7.505 7.485 1.00 0.00 C ATOM 415 O ALA A 30 4.588 6.432 8.019 1.00 0.00 O ATOM 416 CB ALA A 30 3.169 9.290 7.893 1.00 0.00 C ATOM 0 H ALA A 30 2.540 6.693 6.727 1.00 0.00 H new ATOM 0 HA ALA A 30 4.257 8.981 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.948 9.897 8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.438 9.941 7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.675 8.691 8.658 1.00 0.00 H new ATOM 422 N ASP A 31 6.113 7.975 7.422 1.00 0.00 N ATOM 423 CA ASP A 31 7.238 7.243 7.990 1.00 0.00 C ATOM 424 C ASP A 31 7.742 7.920 9.261 1.00 0.00 C ATOM 425 O ASP A 31 7.852 9.144 9.321 1.00 0.00 O ATOM 426 CB ASP A 31 8.373 7.136 6.970 1.00 0.00 C ATOM 427 CG ASP A 31 9.265 5.936 7.220 1.00 0.00 C ATOM 428 OD1 ASP A 31 9.173 5.346 8.317 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.055 5.587 6.318 1.00 0.00 O ATOM 0 H ASP A 31 6.365 8.860 6.983 1.00 0.00 H new ATOM 0 HA ASP A 31 6.894 6.241 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.951 7.069 5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.974 8.045 7.003 1.00 0.00 H new ATOM 434 N ASN A 32 8.046 7.116 10.274 1.00 0.00 N ATOM 435 CA ASN A 32 8.537 7.639 11.544 1.00 0.00 C ATOM 436 C ASN A 32 10.046 7.858 11.495 1.00 0.00 C ATOM 437 O ASN A 32 10.584 8.702 12.212 1.00 0.00 O ATOM 438 CB ASN A 32 8.186 6.680 12.683 1.00 0.00 C ATOM 439 CG ASN A 32 6.816 6.053 12.510 1.00 0.00 C ATOM 440 OD1 ASN A 32 6.545 5.394 11.506 1.00 0.00 O ATOM 441 ND2 ASN A 32 5.945 6.256 13.492 1.00 0.00 N ATOM 0 H ASN A 32 7.961 6.100 10.241 1.00 0.00 H new ATOM 0 HA ASN A 32 8.054 8.599 11.725 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.938 5.893 12.737 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.219 7.218 13.630 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.007 5.859 13.432 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.214 6.809 14.306 1.00 0.00 H new ATOM 448 N SER A 33 10.723 7.093 10.645 1.00 0.00 N ATOM 449 CA SER A 33 12.170 7.201 10.505 1.00 0.00 C ATOM 450 C SER A 33 12.573 8.618 10.110 1.00 0.00 C ATOM 451 O SER A 33 13.478 9.207 10.702 1.00 0.00 O ATOM 452 CB SER A 33 12.678 6.204 9.461 1.00 0.00 C ATOM 453 OG SER A 33 12.428 6.670 8.147 1.00 0.00 O ATOM 0 H SER A 33 10.292 6.391 10.043 1.00 0.00 H new ATOM 0 HA SER A 33 12.622 6.969 11.469 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.748 6.044 9.596 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.191 5.240 9.607 1.00 0.00 H new ATOM 0 HG SER A 33 12.763 6.016 7.499 1.00 0.00 H new ATOM 459 N LEU A 34 11.895 9.161 9.104 1.00 0.00 N ATOM 460 CA LEU A 34 12.181 10.510 8.628 1.00 0.00 C ATOM 461 C LEU A 34 12.178 11.507 9.782 1.00 0.00 C ATOM 462 O LEU A 34 11.412 11.384 10.739 1.00 0.00 O ATOM 463 CB LEU A 34 11.155 10.928 7.574 1.00 0.00 C ATOM 464 CG LEU A 34 11.256 10.223 6.221 1.00 0.00 C ATOM 465 CD1 LEU A 34 10.542 11.027 5.146 1.00 0.00 C ATOM 466 CD2 LEU A 34 12.713 10.000 5.844 1.00 0.00 C ATOM 0 H LEU A 34 11.144 8.688 8.602 1.00 0.00 H new ATOM 0 HA LEU A 34 13.174 10.507 8.178 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.158 10.754 7.978 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.250 12.001 7.410 1.00 0.00 H new ATOM 0 HG LEU A 34 10.770 9.251 6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.624 10.510 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.490 11.135 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.999 12.013 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.766 9.497 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.224 10.961 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.194 9.382 6.602 1.00 0.00 H new ATOM 478 N PRO A 35 13.052 12.520 9.692 1.00 0.00 N ATOM 479 CA PRO A 35 13.167 13.560 10.719 1.00 0.00 C ATOM 480 C PRO A 35 11.952 14.481 10.750 1.00 0.00 C ATOM 481 O PRO A 35 11.005 14.303 9.983 1.00 0.00 O ATOM 482 CB PRO A 35 14.416 14.337 10.298 1.00 0.00 C ATOM 483 CG PRO A 35 14.525 14.114 8.829 1.00 0.00 C ATOM 484 CD PRO A 35 13.994 12.729 8.580 1.00 0.00 C ATOM 0 HA PRO A 35 13.229 13.138 11.722 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.320 15.397 10.531 1.00 0.00 H new ATOM 0 HB3 PRO A 35 15.302 13.975 10.820 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.950 14.858 8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.559 14.201 8.497 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.496 12.657 7.613 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.792 11.986 8.584 1.00 0.00 H new ATOM 492 N LYS A 36 11.985 15.467 11.640 1.00 0.00 N ATOM 493 CA LYS A 36 10.888 16.418 11.770 1.00 0.00 C ATOM 494 C LYS A 36 10.296 16.757 10.405 1.00 0.00 C ATOM 495 O LYS A 36 9.080 16.715 10.217 1.00 0.00 O ATOM 496 CB LYS A 36 11.372 17.696 12.459 1.00 0.00 C ATOM 497 CG LYS A 36 12.490 18.404 11.711 1.00 0.00 C ATOM 498 CD LYS A 36 13.323 19.268 12.643 1.00 0.00 C ATOM 499 CE LYS A 36 14.370 18.446 13.378 1.00 0.00 C ATOM 500 NZ LYS A 36 15.557 18.166 12.522 1.00 0.00 N ATOM 0 H LYS A 36 12.761 15.628 12.283 1.00 0.00 H new ATOM 0 HA LYS A 36 10.111 15.956 12.379 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.531 18.380 12.570 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.717 17.449 13.463 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.130 17.666 11.228 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.065 19.024 10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.813 20.055 12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.671 19.759 13.366 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.686 18.979 14.275 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.928 17.505 13.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.248 17.604 13.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.259 17.635 11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.994 19.063 12.230 1.00 0.00 H new ATOM 514 N HIS A 37 11.164 17.090 9.455 1.00 0.00 N ATOM 515 CA HIS A 37 10.727 17.434 8.107 1.00 0.00 C ATOM 516 C HIS A 37 10.459 16.176 7.286 1.00 0.00 C ATOM 517 O HIS A 37 11.361 15.372 7.053 1.00 0.00 O ATOM 518 CB HIS A 37 11.780 18.296 7.411 1.00 0.00 C ATOM 519 CG HIS A 37 13.129 17.648 7.333 1.00 0.00 C ATOM 520 ND1 HIS A 37 13.630 17.091 6.176 1.00 0.00 N ATOM 521 CD2 HIS A 37 14.082 17.472 8.278 1.00 0.00 C ATOM 522 CE1 HIS A 37 14.833 16.599 6.412 1.00 0.00 C ATOM 523 NE2 HIS A 37 15.131 16.818 7.680 1.00 0.00 N ATOM 0 H HIS A 37 12.174 17.129 9.594 1.00 0.00 H new ATOM 0 HA HIS A 37 9.799 18.001 8.186 1.00 0.00 H new ATOM 0 HB2 HIS A 37 11.439 18.528 6.402 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.871 19.243 7.942 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.028 17.787 9.310 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.465 16.102 5.691 1.00 0.00 H new ATOM 0 HE2 HIS A 37 15.999 16.546 8.140 1.00 0.00 H new ATOM 532 N GLN A 38 9.213 16.013 6.852 1.00 0.00 N ATOM 533 CA GLN A 38 8.826 14.853 6.059 1.00 0.00 C ATOM 534 C GLN A 38 9.330 14.981 4.625 1.00 0.00 C ATOM 535 O GLN A 38 8.608 15.443 3.741 1.00 0.00 O ATOM 536 CB GLN A 38 7.306 14.687 6.065 1.00 0.00 C ATOM 537 CG GLN A 38 6.742 14.300 7.422 1.00 0.00 C ATOM 538 CD GLN A 38 6.682 12.798 7.623 1.00 0.00 C ATOM 539 OE1 GLN A 38 5.647 12.171 7.396 1.00 0.00 O ATOM 540 NE2 GLN A 38 7.795 12.213 8.049 1.00 0.00 N ATOM 0 H GLN A 38 8.455 16.670 7.036 1.00 0.00 H new ATOM 0 HA GLN A 38 9.282 13.970 6.508 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.846 15.621 5.742 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.029 13.926 5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.356 14.743 8.206 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.740 14.717 7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.630 12.772 8.224 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.815 11.205 8.201 1.00 0.00 H new ATOM 549 N LYS A 39 10.573 14.570 4.400 1.00 0.00 N ATOM 550 CA LYS A 39 11.174 14.638 3.074 1.00 0.00 C ATOM 551 C LYS A 39 12.105 13.453 2.837 1.00 0.00 C ATOM 552 O LYS A 39 13.199 13.389 3.399 1.00 0.00 O ATOM 553 CB LYS A 39 11.948 15.948 2.908 1.00 0.00 C ATOM 554 CG LYS A 39 11.091 17.188 3.100 1.00 0.00 C ATOM 555 CD LYS A 39 11.929 18.455 3.063 1.00 0.00 C ATOM 556 CE LYS A 39 11.068 19.686 2.826 1.00 0.00 C ATOM 557 NZ LYS A 39 10.182 19.975 3.988 1.00 0.00 N ATOM 0 H LYS A 39 11.185 14.186 5.120 1.00 0.00 H new ATOM 0 HA LYS A 39 10.372 14.601 2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.769 15.969 3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.393 15.974 1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.331 17.230 2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.566 17.125 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.469 18.563 4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.677 18.375 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.709 20.547 2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.460 19.538 1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.611 20.821 3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.552 19.164 4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.763 20.142 4.834 1.00 0.00 H new ATOM 571 N ILE A 40 11.664 12.518 2.002 1.00 0.00 N ATOM 572 CA ILE A 40 12.459 11.337 1.689 1.00 0.00 C ATOM 573 C ILE A 40 13.804 11.724 1.082 1.00 0.00 C ATOM 574 O ILE A 40 13.873 12.189 -0.056 1.00 0.00 O ATOM 575 CB ILE A 40 11.719 10.402 0.715 1.00 0.00 C ATOM 576 CG1 ILE A 40 10.388 9.949 1.320 1.00 0.00 C ATOM 577 CG2 ILE A 40 12.587 9.200 0.372 1.00 0.00 C ATOM 578 CD1 ILE A 40 9.425 9.380 0.302 1.00 0.00 C ATOM 0 H ILE A 40 10.760 12.556 1.530 1.00 0.00 H new ATOM 0 HA ILE A 40 12.625 10.811 2.629 1.00 0.00 H new ATOM 0 HB ILE A 40 11.511 10.950 -0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.583 9.197 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.918 10.796 1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.050 8.548 -0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.511 9.540 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.822 8.649 1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.504 9.080 0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.201 10.137 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.876 8.513 -0.180 1.00 0.00 H new ATOM 590 N THR A 41 14.872 11.528 1.849 1.00 0.00 N ATOM 591 CA THR A 41 16.215 11.856 1.388 1.00 0.00 C ATOM 592 C THR A 41 17.181 10.705 1.645 1.00 0.00 C ATOM 593 O THR A 41 18.301 10.915 2.110 1.00 0.00 O ATOM 594 CB THR A 41 16.751 13.125 2.075 1.00 0.00 C ATOM 595 OG1 THR A 41 16.776 12.940 3.495 1.00 0.00 O ATOM 596 CG2 THR A 41 15.890 14.332 1.732 1.00 0.00 C ATOM 0 H THR A 41 14.833 11.143 2.793 1.00 0.00 H new ATOM 0 HA THR A 41 16.146 12.035 0.315 1.00 0.00 H new ATOM 0 HB THR A 41 17.763 13.306 1.714 1.00 0.00 H new ATOM 0 HG1 THR A 41 17.120 13.751 3.925 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.289 15.216 2.229 1.00 0.00 H new ATOM 0 HG22 THR A 41 15.896 14.488 0.653 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.868 14.157 2.068 1.00 0.00 H new ATOM 604 N ASP A 42 16.740 9.490 1.340 1.00 0.00 N ATOM 605 CA ASP A 42 17.567 8.305 1.537 1.00 0.00 C ATOM 606 C ASP A 42 17.530 7.405 0.306 1.00 0.00 C ATOM 607 O ASP A 42 16.678 7.567 -0.568 1.00 0.00 O ATOM 608 CB ASP A 42 17.097 7.527 2.767 1.00 0.00 C ATOM 609 CG ASP A 42 18.082 6.454 3.185 1.00 0.00 C ATOM 610 OD1 ASP A 42 19.297 6.649 2.973 1.00 0.00 O ATOM 611 OD2 ASP A 42 17.638 5.417 3.723 1.00 0.00 O ATOM 0 H ASP A 42 15.815 9.299 0.955 1.00 0.00 H new ATOM 0 HA ASP A 42 18.595 8.632 1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.946 8.219 3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.132 7.067 2.555 1.00 0.00 H new ATOM 616 N SER A 43 18.460 6.458 0.243 1.00 0.00 N ATOM 617 CA SER A 43 18.537 5.535 -0.884 1.00 0.00 C ATOM 618 C SER A 43 17.668 4.305 -0.638 1.00 0.00 C ATOM 619 O SER A 43 18.164 3.178 -0.606 1.00 0.00 O ATOM 620 CB SER A 43 19.987 5.110 -1.125 1.00 0.00 C ATOM 621 OG SER A 43 20.733 6.158 -1.718 1.00 0.00 O ATOM 0 H SER A 43 19.171 6.309 0.959 1.00 0.00 H new ATOM 0 HA SER A 43 18.166 6.050 -1.770 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.447 4.822 -0.180 1.00 0.00 H new ATOM 0 HB3 SER A 43 20.010 4.232 -1.771 1.00 0.00 H new ATOM 0 HG SER A 43 21.656 5.862 -1.860 1.00 0.00 H new ATOM 627 N ARG A 44 16.370 4.530 -0.465 1.00 0.00 N ATOM 628 CA ARG A 44 15.432 3.441 -0.222 1.00 0.00 C ATOM 629 C ARG A 44 14.214 3.557 -1.134 1.00 0.00 C ATOM 630 O ARG A 44 14.034 4.564 -1.820 1.00 0.00 O ATOM 631 CB ARG A 44 14.987 3.441 1.242 1.00 0.00 C ATOM 632 CG ARG A 44 14.553 4.807 1.747 1.00 0.00 C ATOM 633 CD ARG A 44 13.061 5.026 1.550 1.00 0.00 C ATOM 634 NE ARG A 44 12.566 6.155 2.332 1.00 0.00 N ATOM 635 CZ ARG A 44 12.105 6.044 3.573 1.00 0.00 C ATOM 636 NH1 ARG A 44 12.076 4.861 4.170 1.00 0.00 N ATOM 637 NH2 ARG A 44 11.671 7.119 4.219 1.00 0.00 N ATOM 0 H ARG A 44 15.944 5.456 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 44 15.940 2.502 -0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.161 2.740 1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.807 3.077 1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.799 4.900 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.108 5.584 1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.856 5.199 0.493 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.521 4.123 1.835 1.00 0.00 H new ATOM 0 HE ARG A 44 12.575 7.080 1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.408 4.032 3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.721 4.779 5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.691 8.031 3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.317 7.033 5.172 1.00 0.00 H new ATOM 651 N TYR A 45 13.383 2.522 -1.137 1.00 0.00 N ATOM 652 CA TYR A 45 12.184 2.507 -1.968 1.00 0.00 C ATOM 653 C TYR A 45 11.033 1.808 -1.250 1.00 0.00 C ATOM 654 O TYR A 45 11.249 0.929 -0.416 1.00 0.00 O ATOM 655 CB TYR A 45 12.469 1.808 -3.298 1.00 0.00 C ATOM 656 CG TYR A 45 12.589 0.305 -3.180 1.00 0.00 C ATOM 657 CD1 TYR A 45 13.782 -0.286 -2.780 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.512 -0.523 -3.468 1.00 0.00 C ATOM 659 CE1 TYR A 45 13.897 -1.659 -2.671 1.00 0.00 C ATOM 660 CE2 TYR A 45 11.617 -1.896 -3.360 1.00 0.00 C ATOM 661 CZ TYR A 45 12.812 -2.459 -2.961 1.00 0.00 C ATOM 662 OH TYR A 45 12.921 -3.827 -2.854 1.00 0.00 O ATOM 0 H TYR A 45 13.517 1.682 -0.574 1.00 0.00 H new ATOM 0 HA TYR A 45 11.894 3.540 -2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.672 2.046 -4.002 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.393 2.206 -3.717 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.633 0.338 -2.551 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.576 -0.086 -3.782 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.831 -2.103 -2.360 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.769 -2.525 -3.586 1.00 0.00 H new ATOM 0 HH TYR A 45 12.066 -4.243 -3.093 1.00 0.00 H new ATOM 672 N TYR A 46 9.810 2.207 -1.581 1.00 0.00 N ATOM 673 CA TYR A 46 8.623 1.622 -0.968 1.00 0.00 C ATOM 674 C TYR A 46 8.003 0.567 -1.879 1.00 0.00 C ATOM 675 O TYR A 46 8.097 0.653 -3.104 1.00 0.00 O ATOM 676 CB TYR A 46 7.595 2.710 -0.657 1.00 0.00 C ATOM 677 CG TYR A 46 7.897 3.485 0.606 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.950 2.848 1.840 1.00 0.00 C ATOM 679 CD2 TYR A 46 8.130 4.855 0.566 1.00 0.00 C ATOM 680 CE1 TYR A 46 8.225 3.552 2.996 1.00 0.00 C ATOM 681 CE2 TYR A 46 8.407 5.566 1.717 1.00 0.00 C ATOM 682 CZ TYR A 46 8.453 4.910 2.929 1.00 0.00 C ATOM 683 OH TYR A 46 8.728 5.616 4.079 1.00 0.00 O ATOM 0 H TYR A 46 9.614 2.933 -2.270 1.00 0.00 H new ATOM 0 HA TYR A 46 8.926 1.141 -0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.547 3.404 -1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.610 2.252 -0.566 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.773 1.784 1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.094 5.372 -0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.261 3.042 3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.587 6.630 1.668 1.00 0.00 H new ATOM 0 HH TYR A 46 9.333 5.094 4.647 1.00 0.00 H new ATOM 693 N THR A 47 7.368 -0.431 -1.272 1.00 0.00 N ATOM 694 CA THR A 47 6.733 -1.504 -2.026 1.00 0.00 C ATOM 695 C THR A 47 5.293 -1.717 -1.571 1.00 0.00 C ATOM 696 O THR A 47 5.044 -2.308 -0.520 1.00 0.00 O ATOM 697 CB THR A 47 7.506 -2.828 -1.880 1.00 0.00 C ATOM 698 OG1 THR A 47 8.896 -2.615 -2.151 1.00 0.00 O ATOM 699 CG2 THR A 47 6.956 -3.884 -2.827 1.00 0.00 C ATOM 0 H THR A 47 7.280 -0.518 -0.260 1.00 0.00 H new ATOM 0 HA THR A 47 6.740 -1.202 -3.073 1.00 0.00 H new ATOM 0 HB THR A 47 7.385 -3.183 -0.857 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.381 -3.461 -2.055 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.518 -4.810 -2.705 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.905 -4.065 -2.600 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.050 -3.535 -3.855 1.00 0.00 H new ATOM 707 N VAL A 48 4.347 -1.233 -2.371 1.00 0.00 N ATOM 708 CA VAL A 48 2.932 -1.373 -2.051 1.00 0.00 C ATOM 709 C VAL A 48 2.330 -2.592 -2.741 1.00 0.00 C ATOM 710 O VAL A 48 2.270 -2.656 -3.969 1.00 0.00 O ATOM 711 CB VAL A 48 2.137 -0.119 -2.463 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.649 -0.329 -2.228 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.639 1.101 -1.706 1.00 0.00 C ATOM 0 H VAL A 48 4.536 -0.741 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 48 2.863 -1.500 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 48 2.290 0.054 -3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.104 0.567 -2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.303 -1.177 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.472 -0.528 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.067 1.978 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.517 0.940 -0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.694 1.260 -1.931 1.00 0.00 H new ATOM 723 N ARG A 49 1.885 -3.557 -1.944 1.00 0.00 N ATOM 724 CA ARG A 49 1.289 -4.776 -2.478 1.00 0.00 C ATOM 725 C ARG A 49 -0.232 -4.736 -2.352 1.00 0.00 C ATOM 726 O ARG A 49 -0.771 -4.174 -1.399 1.00 0.00 O ATOM 727 CB ARG A 49 1.840 -6.001 -1.747 1.00 0.00 C ATOM 728 CG ARG A 49 1.287 -6.173 -0.342 1.00 0.00 C ATOM 729 CD ARG A 49 1.348 -7.624 0.108 1.00 0.00 C ATOM 730 NE ARG A 49 0.642 -7.836 1.369 1.00 0.00 N ATOM 731 CZ ARG A 49 0.741 -8.949 2.088 1.00 0.00 C ATOM 732 NH1 ARG A 49 1.512 -9.944 1.673 1.00 0.00 N ATOM 733 NH2 ARG A 49 0.067 -9.067 3.225 1.00 0.00 N ATOM 0 H ARG A 49 1.926 -3.519 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 49 1.548 -4.846 -3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.612 -6.894 -2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.926 -5.924 -1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.854 -5.552 0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.255 -5.825 -0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.913 -8.261 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.389 -7.925 0.221 1.00 0.00 H new ATOM 0 HE ARG A 49 0.040 -7.089 1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.031 -9.857 0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.586 -10.797 2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.527 -8.303 3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.143 -9.922 3.777 1.00 0.00 H new ATOM 747 N TRP A 50 -0.915 -5.336 -3.320 1.00 0.00 N ATOM 748 CA TRP A 50 -2.373 -5.369 -3.318 1.00 0.00 C ATOM 749 C TRP A 50 -2.890 -6.631 -4.000 1.00 0.00 C ATOM 750 O TRP A 50 -2.311 -7.102 -4.980 1.00 0.00 O ATOM 751 CB TRP A 50 -2.933 -4.130 -4.019 1.00 0.00 C ATOM 752 CG TRP A 50 -2.668 -4.112 -5.494 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.518 -4.512 -6.485 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.470 -3.673 -6.144 1.00 0.00 C ATOM 755 NE1 TRP A 50 -2.922 -4.348 -7.712 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.665 -3.834 -7.530 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.253 -3.157 -5.691 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.687 -3.498 -8.463 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.716 -2.825 -6.618 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.495 -2.996 -7.991 1.00 0.00 C ATOM 0 H TRP A 50 -0.483 -5.806 -4.116 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.710 -5.375 -2.281 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.009 -4.080 -3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.498 -3.238 -3.568 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.513 -4.900 -6.327 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.346 -4.572 -8.612 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.073 -3.020 -4.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.856 -3.629 -9.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.661 -2.427 -6.278 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.273 -2.726 -8.690 1.00 0.00 H new ATOM 771 N LYS A 51 -3.983 -7.176 -3.477 1.00 0.00 N ATOM 772 CA LYS A 51 -4.580 -8.383 -4.036 1.00 0.00 C ATOM 773 C LYS A 51 -6.102 -8.285 -4.044 1.00 0.00 C ATOM 774 O LYS A 51 -6.672 -7.273 -3.633 1.00 0.00 O ATOM 775 CB LYS A 51 -4.141 -9.611 -3.235 1.00 0.00 C ATOM 776 CG LYS A 51 -4.680 -9.636 -1.816 1.00 0.00 C ATOM 777 CD LYS A 51 -4.667 -11.041 -1.238 1.00 0.00 C ATOM 778 CE LYS A 51 -5.645 -11.178 -0.082 1.00 0.00 C ATOM 779 NZ LYS A 51 -7.019 -10.746 -0.463 1.00 0.00 N ATOM 0 H LYS A 51 -4.474 -6.800 -2.666 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.236 -8.485 -5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.470 -10.510 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.052 -9.642 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.081 -8.978 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.698 -9.247 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.921 -11.759 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.661 -11.285 -0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.670 -12.215 0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.297 -10.581 0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.715 -11.234 0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.109 -9.718 -0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.193 -10.983 -1.460 1.00 0.00 H new ATOM 793 N THR A 52 -6.757 -9.343 -4.511 1.00 0.00 N ATOM 794 CA THR A 52 -8.213 -9.376 -4.571 1.00 0.00 C ATOM 795 C THR A 52 -8.793 -10.181 -3.414 1.00 0.00 C ATOM 796 O THR A 52 -8.314 -11.271 -3.103 1.00 0.00 O ATOM 797 CB THR A 52 -8.706 -9.979 -5.900 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.023 -11.209 -6.164 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.480 -9.010 -7.051 1.00 0.00 C ATOM 0 H THR A 52 -6.302 -10.189 -4.853 1.00 0.00 H new ATOM 0 HA THR A 52 -8.556 -8.344 -4.499 1.00 0.00 H new ATOM 0 HB THR A 52 -9.775 -10.170 -5.812 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.344 -11.586 -7.010 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.836 -9.458 -7.979 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.026 -8.086 -6.861 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.416 -8.791 -7.139 1.00 0.00 H new ATOM 807 N ASN A 53 -9.827 -9.638 -2.781 1.00 0.00 N ATOM 808 CA ASN A 53 -10.473 -10.307 -1.658 1.00 0.00 C ATOM 809 C ASN A 53 -11.140 -11.604 -2.108 1.00 0.00 C ATOM 810 O ASN A 53 -11.274 -12.548 -1.328 1.00 0.00 O ATOM 811 CB ASN A 53 -11.510 -9.384 -1.015 1.00 0.00 C ATOM 812 CG ASN A 53 -12.121 -9.984 0.236 1.00 0.00 C ATOM 813 OD1 ASN A 53 -13.298 -10.347 0.253 1.00 0.00 O ATOM 814 ND2 ASN A 53 -11.323 -10.091 1.292 1.00 0.00 N ATOM 0 H ASN A 53 -10.236 -8.736 -3.026 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.706 -10.549 -0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.041 -8.432 -0.766 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.300 -9.171 -1.736 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.679 -10.487 2.162 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.354 -9.777 1.233 1.00 0.00 H new ATOM 821 N ILE A 54 -11.555 -11.643 -3.369 1.00 0.00 N ATOM 822 CA ILE A 54 -12.206 -12.824 -3.923 1.00 0.00 C ATOM 823 C ILE A 54 -11.525 -13.274 -5.210 1.00 0.00 C ATOM 824 O ILE A 54 -11.387 -12.513 -6.168 1.00 0.00 O ATOM 825 CB ILE A 54 -13.697 -12.563 -4.208 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.417 -12.137 -2.927 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.348 -13.804 -4.800 1.00 0.00 C ATOM 828 CD1 ILE A 54 -14.240 -13.110 -1.782 1.00 0.00 C ATOM 0 H ILE A 54 -11.452 -10.870 -4.027 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.120 -13.612 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.777 -11.753 -4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.049 -11.158 -2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.481 -12.026 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.401 -13.604 -4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.849 -14.067 -5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.261 -14.632 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -14.777 -12.744 -0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -14.635 -14.085 -2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.180 -13.203 -1.544 1.00 0.00 H new ATOM 840 N PRO A 55 -11.090 -14.542 -5.237 1.00 0.00 N ATOM 841 CA PRO A 55 -11.249 -15.458 -4.103 1.00 0.00 C ATOM 842 C PRO A 55 -10.363 -15.076 -2.922 1.00 0.00 C ATOM 843 O PRO A 55 -9.771 -13.998 -2.901 1.00 0.00 O ATOM 844 CB PRO A 55 -10.821 -16.811 -4.677 1.00 0.00 C ATOM 845 CG PRO A 55 -9.901 -16.473 -5.799 1.00 0.00 C ATOM 846 CD PRO A 55 -10.409 -15.181 -6.376 1.00 0.00 C ATOM 0 HA PRO A 55 -12.266 -15.449 -3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.320 -17.420 -3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.681 -17.382 -5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.876 -16.366 -5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.897 -17.262 -6.551 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.595 -14.563 -6.755 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.093 -15.354 -7.207 1.00 0.00 H new ATOM 854 N ALA A 56 -10.277 -15.968 -1.940 1.00 0.00 N ATOM 855 CA ALA A 56 -9.462 -15.725 -0.757 1.00 0.00 C ATOM 856 C ALA A 56 -7.990 -16.006 -1.037 1.00 0.00 C ATOM 857 O ALA A 56 -7.137 -15.138 -0.855 1.00 0.00 O ATOM 858 CB ALA A 56 -9.952 -16.576 0.406 1.00 0.00 C ATOM 0 H ALA A 56 -10.762 -16.865 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.559 -14.673 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.334 -16.384 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.988 -16.324 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.885 -17.631 0.139 1.00 0.00 H new ATOM 864 N ASN A 57 -7.699 -17.224 -1.480 1.00 0.00 N ATOM 865 CA ASN A 57 -6.328 -17.620 -1.784 1.00 0.00 C ATOM 866 C ASN A 57 -5.907 -17.108 -3.158 1.00 0.00 C ATOM 867 O ASN A 57 -6.206 -17.724 -4.182 1.00 0.00 O ATOM 868 CB ASN A 57 -6.191 -19.143 -1.731 1.00 0.00 C ATOM 869 CG ASN A 57 -6.984 -19.833 -2.823 1.00 0.00 C ATOM 870 OD1 ASN A 57 -6.435 -20.218 -3.856 1.00 0.00 O ATOM 871 ND2 ASN A 57 -8.283 -19.994 -2.599 1.00 0.00 N ATOM 0 H ASN A 57 -8.394 -17.954 -1.637 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.673 -17.177 -1.034 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.139 -19.414 -1.823 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.529 -19.502 -0.759 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.868 -20.453 -3.298 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.696 -19.659 -1.728 1.00 0.00 H new ATOM 878 N THR A 58 -5.209 -15.976 -3.174 1.00 0.00 N ATOM 879 CA THR A 58 -4.747 -15.381 -4.421 1.00 0.00 C ATOM 880 C THR A 58 -3.296 -14.926 -4.309 1.00 0.00 C ATOM 881 O THR A 58 -2.705 -14.962 -3.229 1.00 0.00 O ATOM 882 CB THR A 58 -5.620 -14.178 -4.827 1.00 0.00 C ATOM 883 OG1 THR A 58 -5.723 -13.257 -3.736 1.00 0.00 O ATOM 884 CG2 THR A 58 -7.009 -14.635 -5.245 1.00 0.00 C ATOM 0 H THR A 58 -4.952 -15.453 -2.337 1.00 0.00 H new ATOM 0 HA THR A 58 -4.825 -16.153 -5.187 1.00 0.00 H new ATOM 0 HB THR A 58 -5.147 -13.683 -5.675 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.278 -12.495 -4.003 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.607 -13.769 -5.527 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.929 -15.313 -6.095 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.488 -15.151 -4.413 1.00 0.00 H new ATOM 892 N LYS A 59 -2.727 -14.497 -5.430 1.00 0.00 N ATOM 893 CA LYS A 59 -1.345 -14.032 -5.458 1.00 0.00 C ATOM 894 C LYS A 59 -1.257 -12.561 -5.062 1.00 0.00 C ATOM 895 O LYS A 59 -2.196 -11.794 -5.277 1.00 0.00 O ATOM 896 CB LYS A 59 -0.746 -14.233 -6.851 1.00 0.00 C ATOM 897 CG LYS A 59 -0.718 -15.684 -7.298 1.00 0.00 C ATOM 898 CD LYS A 59 0.557 -16.380 -6.852 1.00 0.00 C ATOM 899 CE LYS A 59 0.408 -17.894 -6.890 1.00 0.00 C ATOM 900 NZ LYS A 59 1.708 -18.572 -7.150 1.00 0.00 N ATOM 0 H LYS A 59 -3.202 -14.462 -6.332 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.776 -14.618 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.320 -13.651 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.270 -13.839 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.582 -16.208 -6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.800 -15.733 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.382 -16.078 -7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.811 -16.064 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.000 -18.243 -5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.307 -18.169 -7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.565 -19.602 -7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.086 -18.259 -8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.383 -18.330 -6.397 1.00 0.00 H new ATOM 914 N TYR A 60 -0.125 -12.175 -4.485 1.00 0.00 N ATOM 915 CA TYR A 60 0.084 -10.797 -4.059 1.00 0.00 C ATOM 916 C TYR A 60 0.869 -10.015 -5.108 1.00 0.00 C ATOM 917 O TYR A 60 1.796 -10.540 -5.726 1.00 0.00 O ATOM 918 CB TYR A 60 0.825 -10.761 -2.721 1.00 0.00 C ATOM 919 CG TYR A 60 -0.084 -10.914 -1.522 1.00 0.00 C ATOM 920 CD1 TYR A 60 -0.984 -9.914 -1.176 1.00 0.00 C ATOM 921 CD2 TYR A 60 -0.042 -12.058 -0.734 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.816 -10.048 -0.081 1.00 0.00 C ATOM 923 CE2 TYR A 60 -0.871 -12.202 0.362 1.00 0.00 C ATOM 924 CZ TYR A 60 -1.756 -11.195 0.684 1.00 0.00 C ATOM 925 OH TYR A 60 -2.582 -11.333 1.776 1.00 0.00 O ATOM 0 H TYR A 60 0.662 -12.797 -4.302 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.893 -10.329 -3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.570 -11.557 -2.706 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.365 -9.818 -2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.034 -9.016 -1.774 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.651 -12.848 -0.983 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.509 -9.260 0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.826 -13.098 0.963 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.415 -12.198 2.205 1.00 0.00 H new ATOM 935 N LYS A 61 0.492 -8.757 -5.303 1.00 0.00 N ATOM 936 CA LYS A 61 1.160 -7.899 -6.275 1.00 0.00 C ATOM 937 C LYS A 61 2.167 -6.982 -5.590 1.00 0.00 C ATOM 938 O LYS A 61 2.395 -7.084 -4.385 1.00 0.00 O ATOM 939 CB LYS A 61 0.131 -7.064 -7.041 1.00 0.00 C ATOM 940 CG LYS A 61 -0.567 -7.828 -8.152 1.00 0.00 C ATOM 941 CD LYS A 61 -0.973 -6.908 -9.292 1.00 0.00 C ATOM 942 CE LYS A 61 -2.141 -7.480 -10.081 1.00 0.00 C ATOM 943 NZ LYS A 61 -1.734 -8.655 -10.901 1.00 0.00 N ATOM 0 H LYS A 61 -0.274 -8.308 -4.800 1.00 0.00 H new ATOM 0 HA LYS A 61 1.696 -8.537 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.617 -6.693 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.628 -6.192 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.095 -8.607 -8.530 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.451 -8.326 -7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.246 -5.931 -8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.123 -6.755 -9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.934 -7.774 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.553 -6.708 -10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.558 -9.016 -11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.995 -8.369 -11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.365 -9.402 -10.278 1.00 0.00 H new ATOM 957 N ASN A 62 2.767 -6.085 -6.366 1.00 0.00 N ATOM 958 CA ASN A 62 3.750 -5.148 -5.833 1.00 0.00 C ATOM 959 C ASN A 62 3.951 -3.971 -6.783 1.00 0.00 C ATOM 960 O ASN A 62 3.826 -4.114 -7.999 1.00 0.00 O ATOM 961 CB ASN A 62 5.083 -5.858 -5.592 1.00 0.00 C ATOM 962 CG ASN A 62 5.493 -6.731 -6.763 1.00 0.00 C ATOM 963 OD1 ASN A 62 6.156 -6.271 -7.692 1.00 0.00 O ATOM 964 ND2 ASN A 62 5.098 -7.998 -6.722 1.00 0.00 N ATOM 0 H ASN A 62 2.590 -5.987 -7.366 1.00 0.00 H new ATOM 0 HA ASN A 62 3.374 -4.765 -4.884 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.859 -5.115 -5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.008 -6.471 -4.694 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.343 -8.633 -7.481 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.549 -8.336 -5.931 1.00 0.00 H new ATOM 971 N ALA A 63 4.264 -2.809 -6.219 1.00 0.00 N ATOM 972 CA ALA A 63 4.486 -1.609 -7.015 1.00 0.00 C ATOM 973 C ALA A 63 5.674 -0.812 -6.488 1.00 0.00 C ATOM 974 O ALA A 63 5.770 -0.542 -5.291 1.00 0.00 O ATOM 975 CB ALA A 63 3.233 -0.746 -7.028 1.00 0.00 C ATOM 0 H ALA A 63 4.369 -2.674 -5.214 1.00 0.00 H new ATOM 0 HA ALA A 63 4.713 -1.917 -8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.413 0.147 -7.626 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.406 -1.311 -7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.981 -0.455 -6.008 1.00 0.00 H new ATOM 981 N ASN A 64 6.577 -0.439 -7.389 1.00 0.00 N ATOM 982 CA ASN A 64 7.760 0.327 -7.013 1.00 0.00 C ATOM 983 C ASN A 64 7.522 1.822 -7.197 1.00 0.00 C ATOM 984 O ASN A 64 7.265 2.289 -8.306 1.00 0.00 O ATOM 985 CB ASN A 64 8.965 -0.115 -7.847 1.00 0.00 C ATOM 986 CG ASN A 64 9.010 -1.617 -8.047 1.00 0.00 C ATOM 987 OD1 ASN A 64 9.037 -2.104 -9.178 1.00 0.00 O ATOM 988 ND2 ASN A 64 9.018 -2.360 -6.946 1.00 0.00 N ATOM 0 H ASN A 64 6.512 -0.654 -8.384 1.00 0.00 H new ATOM 0 HA ASN A 64 7.965 0.137 -5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.931 0.377 -8.819 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.882 0.211 -7.356 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.048 -3.377 -7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.995 -1.913 -6.029 1.00 0.00 H new ATOM 995 N ALA A 65 7.609 2.569 -6.100 1.00 0.00 N ATOM 996 CA ALA A 65 7.405 4.011 -6.140 1.00 0.00 C ATOM 997 C ALA A 65 7.972 4.681 -4.892 1.00 0.00 C ATOM 998 O ALA A 65 7.521 4.421 -3.776 1.00 0.00 O ATOM 999 CB ALA A 65 5.925 4.332 -6.287 1.00 0.00 C ATOM 0 H ALA A 65 7.819 2.198 -5.173 1.00 0.00 H new ATOM 0 HA ALA A 65 7.938 4.404 -7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.788 5.413 -6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.548 3.894 -7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.377 3.919 -5.440 1.00 0.00 H new ATOM 1005 N THR A 66 8.964 5.544 -5.088 1.00 0.00 N ATOM 1006 CA THR A 66 9.593 6.249 -3.979 1.00 0.00 C ATOM 1007 C THR A 66 8.833 7.525 -3.636 1.00 0.00 C ATOM 1008 O THR A 66 9.031 8.566 -4.262 1.00 0.00 O ATOM 1009 CB THR A 66 11.057 6.607 -4.299 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.113 7.447 -5.458 1.00 0.00 O ATOM 1011 CG2 THR A 66 11.882 5.352 -4.536 1.00 0.00 C ATOM 0 H THR A 66 9.349 5.771 -6.005 1.00 0.00 H new ATOM 0 HA THR A 66 9.570 5.575 -3.123 1.00 0.00 H new ATOM 0 HB THR A 66 11.473 7.139 -3.444 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.416 8.133 -5.398 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.912 5.630 -4.760 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.861 4.729 -3.642 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.466 4.796 -5.376 1.00 0.00 H new ATOM 1019 N THR A 67 7.961 7.438 -2.636 1.00 0.00 N ATOM 1020 CA THR A 67 7.170 8.585 -2.209 1.00 0.00 C ATOM 1021 C THR A 67 6.336 8.251 -0.978 1.00 0.00 C ATOM 1022 O THR A 67 6.257 7.093 -0.564 1.00 0.00 O ATOM 1023 CB THR A 67 6.235 9.072 -3.333 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.189 9.880 -2.783 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.632 7.894 -4.083 1.00 0.00 C ATOM 0 H THR A 67 7.785 6.584 -2.107 1.00 0.00 H new ATOM 0 HA THR A 67 7.874 9.380 -1.962 1.00 0.00 H new ATOM 0 HB THR A 67 6.822 9.666 -4.033 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.600 10.187 -3.503 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.976 8.262 -4.872 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.430 7.297 -4.524 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.058 7.278 -3.391 1.00 0.00 H new ATOM 1033 N LEU A 68 5.713 9.270 -0.397 1.00 0.00 N ATOM 1034 CA LEU A 68 4.882 9.084 0.788 1.00 0.00 C ATOM 1035 C LEU A 68 3.409 8.980 0.409 1.00 0.00 C ATOM 1036 O LEU A 68 2.528 9.317 1.201 1.00 0.00 O ATOM 1037 CB LEU A 68 5.089 10.242 1.766 1.00 0.00 C ATOM 1038 CG LEU A 68 6.296 10.126 2.698 1.00 0.00 C ATOM 1039 CD1 LEU A 68 6.601 11.468 3.345 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.051 9.063 3.759 1.00 0.00 C ATOM 0 H LEU A 68 5.767 10.234 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 68 5.180 8.152 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.186 11.163 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.192 10.340 2.377 1.00 0.00 H new ATOM 0 HG LEU A 68 7.161 9.826 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.463 11.366 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.821 12.203 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.738 11.798 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.920 8.994 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.174 9.332 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.883 8.100 3.277 1.00 0.00 H new ATOM 1052 N SER A 69 3.147 8.509 -0.806 1.00 0.00 N ATOM 1053 CA SER A 69 1.780 8.362 -1.291 1.00 0.00 C ATOM 1054 C SER A 69 1.759 7.692 -2.662 1.00 0.00 C ATOM 1055 O SER A 69 2.400 8.159 -3.603 1.00 0.00 O ATOM 1056 CB SER A 69 1.093 9.727 -1.368 1.00 0.00 C ATOM 1057 OG SER A 69 1.948 10.695 -1.952 1.00 0.00 O ATOM 0 H SER A 69 3.864 8.223 -1.473 1.00 0.00 H new ATOM 0 HA SER A 69 1.238 7.730 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.178 9.645 -1.954 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.803 10.049 -0.368 1.00 0.00 H new ATOM 0 HG SER A 69 2.411 10.301 -2.721 1.00 0.00 H new ATOM 1063 N TYR A 70 1.017 6.595 -2.765 1.00 0.00 N ATOM 1064 CA TYR A 70 0.913 5.858 -4.019 1.00 0.00 C ATOM 1065 C TYR A 70 -0.545 5.694 -4.435 1.00 0.00 C ATOM 1066 O TYR A 70 -1.390 5.287 -3.636 1.00 0.00 O ATOM 1067 CB TYR A 70 1.574 4.485 -3.884 1.00 0.00 C ATOM 1068 CG TYR A 70 1.203 3.523 -4.990 1.00 0.00 C ATOM 1069 CD1 TYR A 70 1.201 3.928 -6.319 1.00 0.00 C ATOM 1070 CD2 TYR A 70 0.854 2.208 -4.705 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.861 3.052 -7.332 1.00 0.00 C ATOM 1072 CE2 TYR A 70 0.514 1.325 -5.712 1.00 0.00 C ATOM 1073 CZ TYR A 70 0.519 1.752 -7.023 1.00 0.00 C ATOM 1074 OH TYR A 70 0.181 0.876 -8.029 1.00 0.00 O ATOM 0 H TYR A 70 0.479 6.197 -1.996 1.00 0.00 H new ATOM 0 HA TYR A 70 1.430 6.429 -4.790 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.657 4.612 -3.872 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.294 4.049 -2.925 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.470 4.945 -6.564 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.848 1.871 -3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.863 3.383 -8.360 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.246 0.306 -5.474 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.032 0.001 -7.643 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.834 6.012 -5.692 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.190 5.900 -6.218 1.00 0.00 C ATOM 1086 C LEU A 71 -2.366 4.601 -6.998 1.00 0.00 C ATOM 1087 O LEU A 71 -1.743 4.401 -8.040 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.510 7.096 -7.117 1.00 0.00 C ATOM 1089 CG LEU A 71 -3.754 6.960 -7.996 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -4.999 7.374 -7.228 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -3.605 7.791 -9.262 1.00 0.00 C ATOM 0 H LEU A 71 -0.147 6.350 -6.366 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.881 5.892 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.629 7.977 -6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.651 7.280 -7.763 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.861 5.914 -8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.874 7.270 -7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.115 6.736 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.902 8.412 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.499 7.682 -9.876 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.473 8.840 -8.995 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.736 7.447 -9.823 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.222 3.721 -6.487 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.483 2.443 -7.137 1.00 0.00 C ATOM 1105 C VAL A 72 -4.483 2.600 -8.277 1.00 0.00 C ATOM 1106 O VAL A 72 -5.523 3.241 -8.123 1.00 0.00 O ATOM 1107 CB VAL A 72 -4.023 1.404 -6.136 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -4.030 0.016 -6.758 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -3.199 1.420 -4.857 1.00 0.00 C ATOM 0 H VAL A 72 -3.746 3.870 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.532 2.092 -7.537 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.050 1.667 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.415 -0.704 -6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.666 0.017 -7.643 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.015 -0.261 -7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.594 0.680 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.161 1.182 -5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.251 2.410 -4.403 1.00 0.00 H new ATOM 1119 N THR A 73 -4.162 2.011 -9.425 1.00 0.00 N ATOM 1120 CA THR A 73 -5.031 2.085 -10.592 1.00 0.00 C ATOM 1121 C THR A 73 -5.224 0.711 -11.222 1.00 0.00 C ATOM 1122 O THR A 73 -4.287 -0.081 -11.309 1.00 0.00 O ATOM 1123 CB THR A 73 -4.465 3.049 -11.653 1.00 0.00 C ATOM 1124 OG1 THR A 73 -3.149 2.636 -12.038 1.00 0.00 O ATOM 1125 CG2 THR A 73 -4.420 4.473 -11.120 1.00 0.00 C ATOM 0 H THR A 73 -3.305 1.477 -9.571 1.00 0.00 H new ATOM 0 HA THR A 73 -5.994 2.461 -10.246 1.00 0.00 H new ATOM 0 HB THR A 73 -5.122 3.024 -12.523 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.797 3.253 -12.714 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.017 5.136 -11.886 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.427 4.794 -10.855 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.783 4.511 -10.236 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.448 0.434 -11.663 1.00 0.00 N ATOM 1134 CA GLY A 74 -6.742 -0.846 -12.280 1.00 0.00 C ATOM 1135 C GLY A 74 -7.387 -1.821 -11.316 1.00 0.00 C ATOM 1136 O GLY A 74 -6.834 -2.884 -11.032 1.00 0.00 O ATOM 0 H GLY A 74 -7.241 1.073 -11.604 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.404 -0.691 -13.132 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.820 -1.279 -12.667 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.561 -1.459 -10.809 1.00 0.00 N ATOM 1141 CA LEU A 75 -9.283 -2.309 -9.868 1.00 0.00 C ATOM 1142 C LEU A 75 -10.697 -2.592 -10.364 1.00 0.00 C ATOM 1143 O LEU A 75 -11.234 -1.857 -11.194 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.336 -1.647 -8.490 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.989 -1.263 -7.877 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -8.185 -0.285 -6.729 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -7.245 -2.503 -7.403 1.00 0.00 C ATOM 0 H LEU A 75 -9.033 -0.583 -11.034 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.750 -3.256 -9.789 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.948 -0.748 -8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.845 -2.323 -7.804 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.388 -0.775 -8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.216 -0.023 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.675 0.616 -7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.805 -0.746 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.289 -2.210 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.841 -3.020 -6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.072 -3.169 -8.249 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.296 -3.660 -9.849 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.650 -4.039 -10.237 1.00 0.00 C ATOM 1161 C LYS A 76 -13.684 -3.319 -9.376 1.00 0.00 C ATOM 1162 O LYS A 76 -13.494 -3.113 -8.178 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.833 -5.553 -10.113 1.00 0.00 C ATOM 1164 CG LYS A 76 -12.327 -6.328 -11.318 1.00 0.00 C ATOM 1165 CD LYS A 76 -12.911 -7.730 -11.364 1.00 0.00 C ATOM 1166 CE LYS A 76 -12.257 -8.570 -12.450 1.00 0.00 C ATOM 1167 NZ LYS A 76 -10.950 -9.130 -12.006 1.00 0.00 N ATOM 0 H LYS A 76 -10.865 -4.279 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.799 -3.745 -11.276 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.311 -5.902 -9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.891 -5.772 -9.969 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.588 -5.794 -12.231 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.239 -6.387 -11.283 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.775 -8.214 -10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.985 -7.673 -11.544 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.925 -9.385 -12.731 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.107 -7.960 -13.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.536 -9.696 -12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.304 -8.352 -11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.096 -9.733 -11.171 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.805 -2.929 -10.000 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.892 -2.228 -9.309 1.00 0.00 C ATOM 1183 C PRO A 77 -16.634 -3.132 -8.330 1.00 0.00 C ATOM 1184 O PRO A 77 -16.735 -4.340 -8.539 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.819 -1.800 -10.449 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.554 -2.779 -11.541 1.00 0.00 C ATOM 1187 CD PRO A 77 -15.099 -3.142 -11.427 1.00 0.00 C ATOM 0 HA PRO A 77 -15.524 -1.398 -8.706 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.864 -1.825 -10.140 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.606 -0.781 -10.771 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.186 -3.661 -11.436 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.773 -2.344 -12.516 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.918 -4.175 -11.725 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.477 -2.513 -12.064 1.00 0.00 H new ATOM 1195 N ASN A 78 -17.152 -2.538 -7.259 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.885 -3.290 -6.247 1.00 0.00 C ATOM 1197 C ASN A 78 -17.097 -4.519 -5.806 1.00 0.00 C ATOM 1198 O ASN A 78 -17.597 -5.643 -5.858 1.00 0.00 O ATOM 1199 CB ASN A 78 -19.252 -3.713 -6.788 1.00 0.00 C ATOM 1200 CG ASN A 78 -20.153 -4.275 -5.705 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -20.574 -3.557 -4.797 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -20.453 -5.566 -5.796 1.00 0.00 N ATOM 0 H ASN A 78 -17.078 -1.538 -7.070 1.00 0.00 H new ATOM 0 HA ASN A 78 -18.028 -2.643 -5.381 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.738 -2.855 -7.252 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.115 -4.462 -7.568 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -21.055 -6.000 -5.096 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -20.082 -6.123 -6.566 1.00 0.00 H new ATOM 1209 N THR A 79 -15.860 -4.298 -5.372 1.00 0.00 N ATOM 1210 CA THR A 79 -15.002 -5.387 -4.922 1.00 0.00 C ATOM 1211 C THR A 79 -14.098 -4.939 -3.779 1.00 0.00 C ATOM 1212 O THR A 79 -13.791 -3.753 -3.645 1.00 0.00 O ATOM 1213 CB THR A 79 -14.129 -5.925 -6.071 1.00 0.00 C ATOM 1214 OG1 THR A 79 -14.920 -6.729 -6.953 1.00 0.00 O ATOM 1215 CG2 THR A 79 -12.969 -6.748 -5.530 1.00 0.00 C ATOM 0 H THR A 79 -15.430 -3.374 -5.323 1.00 0.00 H new ATOM 0 HA THR A 79 -15.659 -6.183 -4.571 1.00 0.00 H new ATOM 0 HB THR A 79 -13.726 -5.074 -6.620 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.863 -6.666 -6.695 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.367 -7.117 -6.360 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.352 -6.125 -4.883 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.357 -7.592 -4.959 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.674 -5.893 -2.958 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.804 -5.596 -1.825 1.00 0.00 C ATOM 1225 C LEU A 80 -11.352 -5.935 -2.150 1.00 0.00 C ATOM 1226 O LEU A 80 -11.029 -7.077 -2.476 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.257 -6.376 -0.590 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.499 -6.082 0.705 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -12.851 -4.697 1.227 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -12.804 -7.142 1.754 1.00 0.00 C ATOM 0 H LEU A 80 -13.918 -6.879 -3.055 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.871 -4.528 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.314 -6.171 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.169 -7.441 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.430 -6.107 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.302 -4.505 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.582 -3.948 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.922 -4.644 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.256 -6.917 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.874 -7.149 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.501 -8.120 1.381 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.482 -4.935 -2.058 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.065 -5.127 -2.343 1.00 0.00 C ATOM 1244 C TYR A 81 -8.216 -4.816 -1.114 1.00 0.00 C ATOM 1245 O TYR A 81 -8.660 -4.126 -0.198 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.634 -4.240 -3.512 1.00 0.00 C ATOM 1247 CG TYR A 81 -8.953 -4.829 -4.868 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -10.251 -4.820 -5.363 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -7.956 -5.392 -5.655 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -10.548 -5.357 -6.601 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -8.243 -5.930 -6.894 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.540 -5.911 -7.363 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.831 -6.445 -8.597 1.00 0.00 O ATOM 0 H TYR A 81 -10.733 -3.984 -1.788 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.913 -6.172 -2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.124 -3.271 -3.422 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.561 -4.062 -3.446 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.042 -4.386 -4.770 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -6.939 -5.409 -5.292 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -11.563 -5.343 -6.970 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.456 -6.364 -7.493 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.011 -6.793 -9.005 1.00 0.00 H new ATOM 1263 N GLU A 82 -6.991 -5.332 -1.104 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.078 -5.110 0.012 1.00 0.00 C ATOM 1265 C GLU A 82 -4.978 -4.125 -0.373 1.00 0.00 C ATOM 1266 O GLU A 82 -4.485 -4.138 -1.501 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.458 -6.434 0.464 1.00 0.00 C ATOM 1268 CG GLU A 82 -6.269 -7.154 1.529 1.00 0.00 C ATOM 1269 CD GLU A 82 -5.542 -8.355 2.102 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -4.297 -8.312 2.182 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -6.219 -9.338 2.471 1.00 0.00 O ATOM 0 H GLU A 82 -6.608 -5.906 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.650 -4.685 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.348 -7.088 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.456 -6.244 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.504 -6.458 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.218 -7.478 1.101 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.598 -3.273 0.573 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.557 -2.280 0.334 1.00 0.00 C ATOM 1280 C PHE A 83 -2.605 -2.192 1.523 1.00 0.00 C ATOM 1281 O PHE A 83 -3.036 -2.041 2.667 1.00 0.00 O ATOM 1282 CB PHE A 83 -4.182 -0.909 0.065 1.00 0.00 C ATOM 1283 CG PHE A 83 -5.027 -0.869 -1.176 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.543 -1.365 -2.376 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.305 -0.336 -1.143 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -5.317 -1.328 -3.520 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -7.085 -0.297 -2.284 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.591 -0.795 -3.474 1.00 0.00 C ATOM 0 H PHE A 83 -4.995 -3.250 1.512 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.988 -2.591 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.794 -0.623 0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.388 -0.167 -0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.549 -1.785 -2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.697 0.054 -0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.927 -1.715 -4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.079 0.122 -2.245 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.199 -0.768 -4.366 1.00 0.00 H new ATOM 1298 N SER A 84 -1.309 -2.290 1.245 1.00 0.00 N ATOM 1299 CA SER A 84 -0.296 -2.227 2.291 1.00 0.00 C ATOM 1300 C SER A 84 0.987 -1.589 1.767 1.00 0.00 C ATOM 1301 O SER A 84 1.213 -1.524 0.558 1.00 0.00 O ATOM 1302 CB SER A 84 0.001 -3.628 2.829 1.00 0.00 C ATOM 1303 OG SER A 84 0.384 -4.505 1.784 1.00 0.00 O ATOM 0 H SER A 84 -0.936 -2.413 0.304 1.00 0.00 H new ATOM 0 HA SER A 84 -0.684 -1.610 3.101 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.796 -3.574 3.573 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.881 -4.022 3.333 1.00 0.00 H new ATOM 0 HG SER A 84 -0.350 -5.124 1.591 1.00 0.00 H new ATOM 1309 N VAL A 85 1.826 -1.120 2.685 1.00 0.00 N ATOM 1310 CA VAL A 85 3.087 -0.488 2.318 1.00 0.00 C ATOM 1311 C VAL A 85 4.233 -1.008 3.177 1.00 0.00 C ATOM 1312 O VAL A 85 4.042 -1.352 4.343 1.00 0.00 O ATOM 1313 CB VAL A 85 3.009 1.044 2.457 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.058 1.714 1.583 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.615 1.540 2.106 1.00 0.00 C ATOM 0 H VAL A 85 1.655 -1.166 3.689 1.00 0.00 H new ATOM 0 HA VAL A 85 3.276 -0.741 1.275 1.00 0.00 H new ATOM 0 HB VAL A 85 3.213 1.308 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.987 2.796 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.051 1.382 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.889 1.445 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.578 2.624 2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.379 1.265 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.887 1.086 2.779 1.00 0.00 H new ATOM 1325 N MET A 86 5.426 -1.062 2.594 1.00 0.00 N ATOM 1326 CA MET A 86 6.605 -1.539 3.308 1.00 0.00 C ATOM 1327 C MET A 86 7.870 -0.872 2.775 1.00 0.00 C ATOM 1328 O MET A 86 7.917 -0.439 1.624 1.00 0.00 O ATOM 1329 CB MET A 86 6.724 -3.059 3.182 1.00 0.00 C ATOM 1330 CG MET A 86 7.161 -3.522 1.802 1.00 0.00 C ATOM 1331 SD MET A 86 7.555 -5.281 1.752 1.00 0.00 S ATOM 1332 CE MET A 86 9.228 -5.271 2.393 1.00 0.00 C ATOM 0 H MET A 86 5.602 -0.781 1.629 1.00 0.00 H new ATOM 0 HA MET A 86 6.493 -1.277 4.360 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.438 -3.422 3.921 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.761 -3.512 3.420 1.00 0.00 H new ATOM 0 HG2 MET A 86 6.368 -3.311 1.084 1.00 0.00 H new ATOM 0 HG3 MET A 86 8.034 -2.949 1.490 1.00 0.00 H new ATOM 0 HE1 MET A 86 9.346 -6.080 3.114 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.933 -5.410 1.573 1.00 0.00 H new ATOM 0 HE3 MET A 86 9.425 -4.317 2.882 1.00 0.00 H new ATOM 1342 N VAL A 87 8.893 -0.794 3.620 1.00 0.00 N ATOM 1343 CA VAL A 87 10.158 -0.181 3.234 1.00 0.00 C ATOM 1344 C VAL A 87 11.256 -1.229 3.091 1.00 0.00 C ATOM 1345 O VAL A 87 11.281 -2.222 3.820 1.00 0.00 O ATOM 1346 CB VAL A 87 10.605 0.878 4.259 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.746 0.258 5.641 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.909 1.527 3.821 1.00 0.00 C ATOM 0 H VAL A 87 8.870 -1.148 4.576 1.00 0.00 H new ATOM 0 HA VAL A 87 9.994 0.303 2.271 1.00 0.00 H new ATOM 0 HB VAL A 87 9.840 1.653 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 87 11.063 1.021 6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.787 -0.154 5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.490 -0.538 5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.210 2.273 4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.685 0.766 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.769 2.009 2.853 1.00 0.00 H new ATOM 1358 N THR A 88 12.164 -1.003 2.147 1.00 0.00 N ATOM 1359 CA THR A 88 13.264 -1.928 1.908 1.00 0.00 C ATOM 1360 C THR A 88 14.584 -1.183 1.747 1.00 0.00 C ATOM 1361 O THR A 88 14.637 -0.117 1.133 1.00 0.00 O ATOM 1362 CB THR A 88 13.015 -2.784 0.651 1.00 0.00 C ATOM 1363 OG1 THR A 88 11.749 -3.444 0.751 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.118 -3.817 0.473 1.00 0.00 C ATOM 0 H THR A 88 12.159 -0.187 1.535 1.00 0.00 H new ATOM 0 HA THR A 88 13.322 -2.581 2.779 1.00 0.00 H new ATOM 0 HB THR A 88 13.013 -2.124 -0.217 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.598 -3.985 -0.052 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.921 -4.409 -0.420 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.077 -3.310 0.368 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.147 -4.472 1.344 1.00 0.00 H new ATOM 1372 N LYS A 89 15.650 -1.749 2.303 1.00 0.00 N ATOM 1373 CA LYS A 89 16.971 -1.140 2.221 1.00 0.00 C ATOM 1374 C LYS A 89 17.993 -2.129 1.669 1.00 0.00 C ATOM 1375 O LYS A 89 19.030 -2.373 2.284 1.00 0.00 O ATOM 1376 CB LYS A 89 17.416 -0.648 3.600 1.00 0.00 C ATOM 1377 CG LYS A 89 16.993 0.779 3.902 1.00 0.00 C ATOM 1378 CD LYS A 89 18.056 1.778 3.476 1.00 0.00 C ATOM 1379 CE LYS A 89 18.154 1.876 1.961 1.00 0.00 C ATOM 1380 NZ LYS A 89 19.128 0.898 1.404 1.00 0.00 N ATOM 0 H LYS A 89 15.624 -2.630 2.816 1.00 0.00 H new ATOM 0 HA LYS A 89 16.909 -0.290 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 89 17.005 -1.309 4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 89 18.502 -0.719 3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.058 0.999 3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.801 0.884 4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.822 2.759 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.021 1.481 3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.172 1.701 1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 89 18.453 2.886 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.908 1.409 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.507 0.309 2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.651 0.292 0.706 1.00 0.00 H new ATOM 1394 N GLY A 90 17.693 -2.694 0.504 1.00 0.00 N ATOM 1395 CA GLY A 90 18.596 -3.649 -0.112 1.00 0.00 C ATOM 1396 C GLY A 90 18.421 -5.051 0.438 1.00 0.00 C ATOM 1397 O GLY A 90 17.711 -5.870 -0.146 1.00 0.00 O ATOM 0 H GLY A 90 16.841 -2.508 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.428 -3.661 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.625 -3.326 0.046 1.00 0.00 H new ATOM 1401 N ARG A 91 19.071 -5.328 1.564 1.00 0.00 N ATOM 1402 CA ARG A 91 18.986 -6.642 2.191 1.00 0.00 C ATOM 1403 C ARG A 91 17.999 -6.626 3.354 1.00 0.00 C ATOM 1404 O ARG A 91 17.468 -7.665 3.746 1.00 0.00 O ATOM 1405 CB ARG A 91 20.364 -7.086 2.683 1.00 0.00 C ATOM 1406 CG ARG A 91 20.351 -8.420 3.410 1.00 0.00 C ATOM 1407 CD ARG A 91 21.739 -8.802 3.900 1.00 0.00 C ATOM 1408 NE ARG A 91 21.775 -10.158 4.441 1.00 0.00 N ATOM 1409 CZ ARG A 91 22.895 -10.853 4.609 1.00 0.00 C ATOM 1410 NH1 ARG A 91 24.064 -10.322 4.280 1.00 0.00 N ATOM 1411 NH2 ARG A 91 22.846 -12.082 5.107 1.00 0.00 N ATOM 0 H ARG A 91 19.662 -4.661 2.060 1.00 0.00 H new ATOM 0 HA ARG A 91 18.629 -7.351 1.444 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.040 -7.153 1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 91 20.766 -6.323 3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 91 19.667 -8.367 4.257 1.00 0.00 H new ATOM 0 HG3 ARG A 91 19.973 -9.195 2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 91 22.449 -8.721 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 91 22.059 -8.097 4.667 1.00 0.00 H new ATOM 0 HE ARG A 91 20.892 -10.596 4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 91 24.105 -9.378 3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 91 24.922 -10.858 4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 91 21.948 -12.494 5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 91 23.706 -12.615 5.236 1.00 0.00 H new ATOM 1425 N ARG A 92 17.759 -5.439 3.903 1.00 0.00 N ATOM 1426 CA ARG A 92 16.837 -5.288 5.023 1.00 0.00 C ATOM 1427 C ARG A 92 15.435 -4.942 4.531 1.00 0.00 C ATOM 1428 O ARG A 92 15.268 -4.372 3.453 1.00 0.00 O ATOM 1429 CB ARG A 92 17.336 -4.203 5.979 1.00 0.00 C ATOM 1430 CG ARG A 92 18.532 -4.630 6.814 1.00 0.00 C ATOM 1431 CD ARG A 92 18.106 -5.470 8.008 1.00 0.00 C ATOM 1432 NE ARG A 92 19.176 -6.351 8.468 1.00 0.00 N ATOM 1433 CZ ARG A 92 19.418 -7.548 7.945 1.00 0.00 C ATOM 1434 NH1 ARG A 92 18.669 -8.004 6.950 1.00 0.00 N ATOM 1435 NH2 ARG A 92 20.411 -8.291 8.417 1.00 0.00 N ATOM 0 H ARG A 92 18.190 -4.569 3.591 1.00 0.00 H new ATOM 0 HA ARG A 92 16.792 -6.239 5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.604 -3.318 5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.523 -3.915 6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.224 -5.200 6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.068 -3.747 7.162 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.802 -4.813 8.823 1.00 0.00 H new ATOM 0 HD3 ARG A 92 17.235 -6.068 7.738 1.00 0.00 H new ATOM 0 HE ARG A 92 19.770 -6.030 9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 92 17.905 -7.435 6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 92 18.857 -8.923 6.550 1.00 0.00 H new ATOM 0 HH21 ARG A 92 20.989 -7.943 9.182 1.00 0.00 H new ATOM 0 HH22 ARG A 92 20.596 -9.210 8.015 1.00 0.00 H new ATOM 1449 N SER A 93 14.431 -5.291 5.328 1.00 0.00 N ATOM 1450 CA SER A 93 13.043 -5.021 4.972 1.00 0.00 C ATOM 1451 C SER A 93 12.149 -5.049 6.208 1.00 0.00 C ATOM 1452 O SER A 93 12.424 -5.766 7.171 1.00 0.00 O ATOM 1453 CB SER A 93 12.549 -6.045 3.948 1.00 0.00 C ATOM 1454 OG SER A 93 12.559 -7.354 4.490 1.00 0.00 O ATOM 0 H SER A 93 14.552 -5.761 6.225 1.00 0.00 H new ATOM 0 HA SER A 93 12.994 -4.025 4.532 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.539 -5.788 3.630 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.181 -6.011 3.061 1.00 0.00 H new ATOM 0 HG SER A 93 12.237 -7.989 3.817 1.00 0.00 H new ATOM 1460 N SER A 94 11.077 -4.264 6.174 1.00 0.00 N ATOM 1461 CA SER A 94 10.144 -4.195 7.292 1.00 0.00 C ATOM 1462 C SER A 94 8.856 -4.948 6.972 1.00 0.00 C ATOM 1463 O SER A 94 8.601 -5.307 5.822 1.00 0.00 O ATOM 1464 CB SER A 94 9.826 -2.737 7.628 1.00 0.00 C ATOM 1465 OG SER A 94 9.115 -2.113 6.573 1.00 0.00 O ATOM 0 H SER A 94 10.833 -3.667 5.384 1.00 0.00 H new ATOM 0 HA SER A 94 10.614 -4.665 8.156 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.237 -2.692 8.544 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.752 -2.194 7.817 1.00 0.00 H new ATOM 0 HG SER A 94 8.160 -2.092 6.790 1.00 0.00 H new ATOM 1471 N THR A 95 8.046 -5.185 7.999 1.00 0.00 N ATOM 1472 CA THR A 95 6.785 -5.896 7.830 1.00 0.00 C ATOM 1473 C THR A 95 5.784 -5.060 7.040 1.00 0.00 C ATOM 1474 O THR A 95 6.112 -3.977 6.555 1.00 0.00 O ATOM 1475 CB THR A 95 6.164 -6.270 9.189 1.00 0.00 C ATOM 1476 OG1 THR A 95 5.800 -5.084 9.904 1.00 0.00 O ATOM 1477 CG2 THR A 95 7.138 -7.091 10.021 1.00 0.00 C ATOM 0 H THR A 95 8.241 -4.895 8.957 1.00 0.00 H new ATOM 0 HA THR A 95 7.009 -6.809 7.278 1.00 0.00 H new ATOM 0 HB THR A 95 5.273 -6.870 9.004 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.404 -5.330 10.766 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.678 -7.343 10.976 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.391 -8.007 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.044 -6.512 10.197 1.00 0.00 H new ATOM 1485 N TRP A 96 4.564 -5.569 6.916 1.00 0.00 N ATOM 1486 CA TRP A 96 3.515 -4.868 6.184 1.00 0.00 C ATOM 1487 C TRP A 96 2.609 -4.096 7.138 1.00 0.00 C ATOM 1488 O TRP A 96 1.864 -4.689 7.917 1.00 0.00 O ATOM 1489 CB TRP A 96 2.687 -5.858 5.365 1.00 0.00 C ATOM 1490 CG TRP A 96 3.497 -6.624 4.363 1.00 0.00 C ATOM 1491 CD1 TRP A 96 4.015 -7.879 4.516 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.884 -6.185 3.057 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.701 -8.245 3.383 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.635 -7.224 2.473 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.668 -5.015 2.323 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 5.169 -7.125 1.191 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 4.200 -4.919 1.051 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.942 -5.969 0.495 1.00 0.00 C ATOM 0 H TRP A 96 4.276 -6.464 7.312 1.00 0.00 H new ATOM 0 HA TRP A 96 3.991 -4.157 5.508 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.200 -6.561 6.042 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.897 -5.317 4.845 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.902 -8.493 5.397 1.00 0.00 H new ATOM 0 HE1 TRP A 96 5.182 -9.134 3.243 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.096 -4.201 2.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.743 -7.933 0.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.041 -4.019 0.476 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.343 -5.864 -0.502 1.00 0.00 H new ATOM 1509 N SER A 97 2.679 -2.770 7.071 1.00 0.00 N ATOM 1510 CA SER A 97 1.867 -1.918 7.932 1.00 0.00 C ATOM 1511 C SER A 97 0.397 -2.319 7.862 1.00 0.00 C ATOM 1512 O SER A 97 -0.001 -3.116 7.013 1.00 0.00 O ATOM 1513 CB SER A 97 2.027 -0.451 7.529 1.00 0.00 C ATOM 1514 OG SER A 97 1.778 -0.272 6.145 1.00 0.00 O ATOM 0 H SER A 97 3.289 -2.263 6.430 1.00 0.00 H new ATOM 0 HA SER A 97 2.212 -2.046 8.958 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.339 0.166 8.108 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.036 -0.113 7.767 1.00 0.00 H new ATOM 0 HG SER A 97 2.536 -0.617 5.629 1.00 0.00 H new ATOM 1520 N MET A 98 -0.405 -1.760 8.763 1.00 0.00 N ATOM 1521 CA MET A 98 -1.832 -2.058 8.804 1.00 0.00 C ATOM 1522 C MET A 98 -2.419 -2.103 7.396 1.00 0.00 C ATOM 1523 O MET A 98 -2.280 -1.154 6.623 1.00 0.00 O ATOM 1524 CB MET A 98 -2.569 -1.012 9.643 1.00 0.00 C ATOM 1525 CG MET A 98 -2.186 0.419 9.304 1.00 0.00 C ATOM 1526 SD MET A 98 -2.865 1.615 10.470 1.00 0.00 S ATOM 1527 CE MET A 98 -4.579 1.657 9.953 1.00 0.00 C ATOM 0 H MET A 98 -0.091 -1.099 9.474 1.00 0.00 H new ATOM 0 HA MET A 98 -1.960 -3.038 9.263 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.643 -1.135 9.501 1.00 0.00 H new ATOM 0 HB3 MET A 98 -2.364 -1.194 10.698 1.00 0.00 H new ATOM 0 HG2 MET A 98 -1.100 0.507 9.291 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.537 0.657 8.300 1.00 0.00 H new ATOM 0 HE1 MET A 98 -5.124 2.381 10.558 1.00 0.00 H new ATOM 0 HE2 MET A 98 -4.635 1.946 8.903 1.00 0.00 H new ATOM 0 HE3 MET A 98 -5.022 0.670 10.082 1.00 0.00 H new ATOM 1537 N THR A 99 -3.075 -3.212 7.069 1.00 0.00 N ATOM 1538 CA THR A 99 -3.681 -3.381 5.754 1.00 0.00 C ATOM 1539 C THR A 99 -4.972 -2.579 5.637 1.00 0.00 C ATOM 1540 O THR A 99 -5.959 -2.870 6.311 1.00 0.00 O ATOM 1541 CB THR A 99 -3.983 -4.863 5.462 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.807 -5.653 5.668 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.476 -5.043 4.034 1.00 0.00 C ATOM 0 H THR A 99 -3.200 -4.006 7.697 1.00 0.00 H new ATOM 0 HA THR A 99 -2.960 -3.013 5.024 1.00 0.00 H new ATOM 0 HB THR A 99 -4.766 -5.193 6.145 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.008 -6.594 5.482 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.683 -6.097 3.851 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.388 -4.464 3.888 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.711 -4.697 3.339 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.958 -1.567 4.775 1.00 0.00 N ATOM 1552 CA ALA A 100 -6.129 -0.724 4.567 1.00 0.00 C ATOM 1553 C ALA A 100 -7.032 -1.298 3.480 1.00 0.00 C ATOM 1554 O ALA A 100 -6.638 -1.392 2.317 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.703 0.692 4.209 1.00 0.00 C ATOM 0 H ALA A 100 -4.148 -1.311 4.210 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.696 -0.696 5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.587 1.310 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.105 1.108 5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.111 0.673 3.294 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.245 -1.680 3.866 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.205 -2.245 2.924 1.00 0.00 C ATOM 1563 C HIS A 101 -10.143 -1.166 2.392 1.00 0.00 C ATOM 1564 O HIS A 101 -10.704 -0.384 3.159 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.014 -3.357 3.592 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.194 -4.553 3.965 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -8.718 -4.772 5.240 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -8.767 -5.600 3.221 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -8.032 -5.901 5.264 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.048 -6.424 4.051 1.00 0.00 N ATOM 0 H HIS A 101 -8.587 -1.609 4.824 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.650 -2.665 2.085 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.491 -2.960 4.488 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.812 -3.670 2.918 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -8.871 -4.158 6.040 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.957 -5.758 2.170 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -7.542 -6.324 6.128 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.308 -1.129 1.073 1.00 0.00 N ATOM 1580 CA GLY A 102 -11.178 -0.142 0.461 1.00 0.00 C ATOM 1581 C GLY A 102 -11.992 -0.715 -0.682 1.00 0.00 C ATOM 1582 O GLY A 102 -11.446 -1.343 -1.590 1.00 0.00 O ATOM 0 H GLY A 102 -9.854 -1.765 0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.852 0.262 1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.577 0.690 0.093 1.00 0.00 H new ATOM 1586 N THR A 103 -13.304 -0.501 -0.639 1.00 0.00 N ATOM 1587 CA THR A 103 -14.195 -1.003 -1.677 1.00 0.00 C ATOM 1588 C THR A 103 -14.483 0.070 -2.721 1.00 0.00 C ATOM 1589 O THR A 103 -14.848 1.197 -2.384 1.00 0.00 O ATOM 1590 CB THR A 103 -15.527 -1.496 -1.083 1.00 0.00 C ATOM 1591 OG1 THR A 103 -15.277 -2.369 0.024 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.351 -2.226 -2.134 1.00 0.00 C ATOM 0 H THR A 103 -13.773 0.017 0.104 1.00 0.00 H new ATOM 0 HA THR A 103 -13.686 -1.841 -2.153 1.00 0.00 H new ATOM 0 HB THR A 103 -16.090 -0.628 -0.741 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.129 -2.677 0.397 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.287 -2.565 -1.691 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.565 -1.551 -2.962 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.792 -3.086 -2.502 1.00 0.00 H new ATOM 1600 N THR A 104 -14.317 -0.286 -3.991 1.00 0.00 N ATOM 1601 CA THR A 104 -14.559 0.647 -5.084 1.00 0.00 C ATOM 1602 C THR A 104 -16.052 0.806 -5.350 1.00 0.00 C ATOM 1603 O THR A 104 -16.852 -0.060 -4.996 1.00 0.00 O ATOM 1604 CB THR A 104 -13.864 0.187 -6.379 1.00 0.00 C ATOM 1605 OG1 THR A 104 -14.099 -1.210 -6.591 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.368 0.451 -6.314 1.00 0.00 C ATOM 0 H THR A 104 -14.016 -1.214 -4.288 1.00 0.00 H new ATOM 0 HA THR A 104 -14.143 1.607 -4.779 1.00 0.00 H new ATOM 0 HB THR A 104 -14.281 0.755 -7.211 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.680 -1.488 -7.432 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.899 0.118 -7.240 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.192 1.519 -6.182 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.939 -0.094 -5.473 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.420 1.919 -5.977 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.818 2.192 -6.291 1.00 0.00 C ATOM 1616 C PHE A 105 -18.307 1.293 -7.423 1.00 0.00 C ATOM 1617 O PHE A 105 -17.508 0.731 -8.171 1.00 0.00 O ATOM 1618 CB PHE A 105 -17.998 3.661 -6.677 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.790 4.612 -5.533 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.443 4.418 -4.327 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.941 5.699 -5.665 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.253 5.291 -3.271 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.747 6.575 -4.613 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.405 6.371 -3.415 1.00 0.00 C ATOM 0 H PHE A 105 -15.770 2.646 -6.277 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.412 1.982 -5.402 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.298 3.907 -7.475 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -19.001 3.802 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.108 3.575 -4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.425 5.864 -6.600 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.767 5.128 -2.335 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -16.082 7.418 -4.727 1.00 0.00 H new ATOM 0 HZ PHE A 105 -17.256 7.055 -2.593 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.625 1.163 -7.541 1.00 0.00 N ATOM 1635 CA GLU A 106 -20.220 0.332 -8.580 1.00 0.00 C ATOM 1636 C GLU A 106 -20.068 0.984 -9.952 1.00 0.00 C ATOM 1637 O GLU A 106 -20.259 2.191 -10.102 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.700 0.085 -8.282 1.00 0.00 C ATOM 1639 CG GLU A 106 -21.941 -1.020 -7.267 1.00 0.00 C ATOM 1640 CD GLU A 106 -23.405 -1.172 -6.906 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -24.257 -1.031 -7.808 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -23.699 -1.432 -5.720 1.00 0.00 O ATOM 0 H GLU A 106 -20.300 1.623 -6.930 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.695 -0.623 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -22.147 1.009 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -22.211 -0.168 -9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.570 -1.963 -7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -21.368 -0.810 -6.364 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.724 0.176 -10.949 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.545 0.673 -12.309 1.00 0.00 C ATOM 1651 C LEU A 107 -20.705 0.244 -13.202 1.00 0.00 C ATOM 1652 O LEU A 107 -21.295 1.063 -13.906 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.224 0.165 -12.889 1.00 0.00 C ATOM 1654 CG LEU A 107 -18.062 0.297 -14.404 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -17.887 1.756 -14.797 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -16.882 -0.533 -14.888 1.00 0.00 C ATOM 0 H LEU A 107 -19.564 -0.826 -10.841 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.523 1.762 -12.272 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.408 0.704 -12.408 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.113 -0.886 -12.622 1.00 0.00 H new ATOM 0 HG LEU A 107 -18.966 -0.080 -14.881 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.773 1.830 -15.878 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.763 2.325 -14.484 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.999 2.160 -14.310 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.782 -0.427 -15.968 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.970 -0.186 -14.403 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -17.048 -1.581 -14.640 1.00 0.00 H new