USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=37 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 -132:sc= -1.28 (180deg=-2.56!) USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 84 SER OG : rot 180:sc= -0.0783 USER MOD Set 2.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 67 THR OG1 : rot 180:sc= -0.821! USER MOD Set 3.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 52 THR OG1 : rot 128:sc= 0.00416 USER MOD Set 4.2: A 58 THR OG1 : rot 180:sc= -0.894 USER MOD Set 5.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 24 THR OG1 : rot 180:sc= -0.0513 USER MOD Single : A 9 MET CE :methyl -124:sc= -7.62! (180deg=-9.67!) USER MOD Single : A 10 MET CE :methyl -139:sc= -0.0554 (180deg=-0.709) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.998 X(o=-1,f=-1) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= -0.415 K(o=-0.41,f=-1.9) USER MOD Single : A 38 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.033) 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 -85:sc= -0.316 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -140:sc= 0.997 (180deg=0.229) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0637) USER MOD Single : A 60 TYR OH : rot 180:sc= -1.81 USER MOD Single : A 61 LYS NZ :NH3+ -121:sc= -0.0639 (180deg=-0.421) USER MOD Single : A 62 ASN : amide:sc= -0.0918 K(o=-0.092,f=-1.4) USER MOD Single : A 64 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.8!) USER MOD Single : A 66 THR OG1 : rot 63:sc= 1.15 USER MOD Single : A 70 TYR OH : rot 153:sc= 0.251 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= -1.21 K(o=-1.2,f=-5.1!) USER MOD Single : A 79 THR OG1 : rot 76:sc= 1.3 USER MOD Single : A 81 TYR OH : rot 150:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 81:sc= -0.256 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 97 SER OG : rot -100:sc= 0.965 USER MOD Single : A 98 MET CE :methyl 155:sc= -0.138 (180deg=-0.784) USER MOD Single : A 101 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-1) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -162:sc= 0.957 USER MOD ----------------------------------------------------------------- ATOM 80 N MET A 9 13.741 -3.170 10.099 1.00 0.00 N ATOM 81 CA MET A 9 13.076 -1.929 9.720 1.00 0.00 C ATOM 82 C MET A 9 11.628 -1.920 10.199 1.00 0.00 C ATOM 83 O MET A 9 10.991 -2.969 10.298 1.00 0.00 O ATOM 84 CB MET A 9 13.126 -1.741 8.203 1.00 0.00 C ATOM 85 CG MET A 9 14.533 -1.556 7.659 1.00 0.00 C ATOM 86 SD MET A 9 14.585 -1.548 5.856 1.00 0.00 S ATOM 87 CE MET A 9 13.712 -0.025 5.500 1.00 0.00 C ATOM 0 HA MET A 9 13.603 -1.103 10.198 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.671 -2.607 7.723 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.524 -0.873 7.933 1.00 0.00 H new ATOM 0 HG2 MET A 9 14.943 -0.619 8.035 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.171 -2.356 8.034 1.00 0.00 H new ATOM 0 HE1 MET A 9 12.869 -0.234 4.842 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.347 0.411 6.430 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.388 0.676 5.011 1.00 0.00 H new ATOM 97 N MET A 10 11.114 -0.731 10.495 1.00 0.00 N ATOM 98 CA MET A 10 9.740 -0.587 10.962 1.00 0.00 C ATOM 99 C MET A 10 8.821 -0.158 9.823 1.00 0.00 C ATOM 100 O MET A 10 9.179 0.666 8.981 1.00 0.00 O ATOM 101 CB MET A 10 9.670 0.432 12.101 1.00 0.00 C ATOM 102 CG MET A 10 10.282 -0.066 13.400 1.00 0.00 C ATOM 103 SD MET A 10 9.199 -1.203 14.286 1.00 0.00 S ATOM 104 CE MET A 10 9.938 -2.778 13.858 1.00 0.00 C ATOM 0 H MET A 10 11.628 0.147 10.420 1.00 0.00 H new ATOM 0 HA MET A 10 9.404 -1.556 11.330 1.00 0.00 H new ATOM 0 HB2 MET A 10 10.182 1.344 11.794 1.00 0.00 H new ATOM 0 HB3 MET A 10 8.627 0.696 12.278 1.00 0.00 H new ATOM 0 HG2 MET A 10 11.227 -0.564 13.184 1.00 0.00 H new ATOM 0 HG3 MET A 10 10.510 0.786 14.040 1.00 0.00 H new ATOM 0 HE1 MET A 10 9.152 -3.505 13.654 1.00 0.00 H new ATOM 0 HE2 MET A 10 10.561 -2.659 12.972 1.00 0.00 H new ATOM 0 HE3 MET A 10 10.551 -3.130 14.688 1.00 0.00 H new ATOM 114 N PRO A 11 7.607 -0.729 9.793 1.00 0.00 N ATOM 115 CA PRO A 11 6.612 -0.420 8.763 1.00 0.00 C ATOM 116 C PRO A 11 6.052 0.992 8.902 1.00 0.00 C ATOM 117 O PRO A 11 6.130 1.615 9.961 1.00 0.00 O ATOM 118 CB PRO A 11 5.513 -1.457 9.008 1.00 0.00 C ATOM 119 CG PRO A 11 5.647 -1.817 10.448 1.00 0.00 C ATOM 120 CD PRO A 11 7.114 -1.719 10.765 1.00 0.00 C ATOM 0 HA PRO A 11 7.038 -0.459 7.761 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.526 -1.047 8.792 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.642 -2.330 8.368 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.066 -1.140 11.075 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.274 -2.824 10.635 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.283 -1.393 11.791 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.615 -2.680 10.649 1.00 0.00 H new ATOM 128 N PRO A 12 5.474 1.510 7.808 1.00 0.00 N ATOM 129 CA PRO A 12 4.889 2.854 7.784 1.00 0.00 C ATOM 130 C PRO A 12 3.618 2.948 8.620 1.00 0.00 C ATOM 131 O PRO A 12 3.194 1.970 9.236 1.00 0.00 O ATOM 132 CB PRO A 12 4.572 3.076 6.303 1.00 0.00 C ATOM 133 CG PRO A 12 4.402 1.707 5.742 1.00 0.00 C ATOM 134 CD PRO A 12 5.346 0.824 6.511 1.00 0.00 C ATOM 0 HA PRO A 12 5.563 3.599 8.207 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.667 3.671 6.177 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.378 3.612 5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.373 1.366 5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.632 1.690 4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.949 -0.184 6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.309 0.731 6.009 1.00 0.00 H new ATOM 142 N VAL A 13 3.013 4.132 8.638 1.00 0.00 N ATOM 143 CA VAL A 13 1.788 4.353 9.398 1.00 0.00 C ATOM 144 C VAL A 13 0.829 5.264 8.642 1.00 0.00 C ATOM 145 O VAL A 13 1.153 5.770 7.568 1.00 0.00 O ATOM 146 CB VAL A 13 2.087 4.971 10.777 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.040 4.085 11.564 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.657 6.373 10.619 1.00 0.00 C ATOM 0 H VAL A 13 3.351 4.952 8.135 1.00 0.00 H new ATOM 0 HA VAL A 13 1.322 3.378 9.539 1.00 0.00 H new ATOM 0 HB VAL A 13 1.153 5.043 11.334 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.240 4.538 12.535 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.589 3.103 11.707 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.975 3.978 11.014 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.863 6.795 11.603 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.581 6.327 10.043 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.936 7.002 10.098 1.00 0.00 H new ATOM 158 N GLY A 14 -0.356 5.471 9.210 1.00 0.00 N ATOM 159 CA GLY A 14 -1.345 6.322 8.575 1.00 0.00 C ATOM 160 C GLY A 14 -1.876 5.731 7.284 1.00 0.00 C ATOM 161 O GLY A 14 -2.625 6.383 6.557 1.00 0.00 O ATOM 0 H GLY A 14 -0.648 5.064 10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.174 6.487 9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.903 7.297 8.370 1.00 0.00 H new ATOM 165 N VAL A 15 -1.485 4.493 6.997 1.00 0.00 N ATOM 166 CA VAL A 15 -1.926 3.815 5.784 1.00 0.00 C ATOM 167 C VAL A 15 -3.439 3.905 5.624 1.00 0.00 C ATOM 168 O VAL A 15 -4.191 3.304 6.391 1.00 0.00 O ATOM 169 CB VAL A 15 -1.508 2.332 5.788 1.00 0.00 C ATOM 170 CG1 VAL A 15 -1.904 1.663 4.480 1.00 0.00 C ATOM 171 CG2 VAL A 15 -0.013 2.201 6.032 1.00 0.00 C ATOM 0 H VAL A 15 -0.864 3.940 7.588 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.445 4.319 4.946 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.031 1.827 6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.601 0.616 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.985 1.726 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.410 2.167 3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.265 1.147 6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.531 2.720 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.238 2.642 6.997 1.00 0.00 H new ATOM 181 N GLN A 16 -3.879 4.659 4.621 1.00 0.00 N ATOM 182 CA GLN A 16 -5.303 4.828 4.360 1.00 0.00 C ATOM 183 C GLN A 16 -5.583 4.847 2.861 1.00 0.00 C ATOM 184 O GLN A 16 -4.740 5.263 2.068 1.00 0.00 O ATOM 185 CB GLN A 16 -5.812 6.119 5.003 1.00 0.00 C ATOM 186 CG GLN A 16 -5.956 6.031 6.514 1.00 0.00 C ATOM 187 CD GLN A 16 -6.069 7.393 7.170 1.00 0.00 C ATOM 188 OE1 GLN A 16 -6.962 8.177 6.848 1.00 0.00 O ATOM 189 NE2 GLN A 16 -5.162 7.682 8.095 1.00 0.00 N ATOM 0 H GLN A 16 -3.269 5.162 3.976 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.830 3.981 4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.127 6.931 4.758 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.778 6.375 4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.839 5.441 6.757 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.096 5.503 6.927 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.439 7.002 8.331 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.188 8.584 8.570 1.00 0.00 H new ATOM 198 N ALA A 17 -6.774 4.395 2.481 1.00 0.00 N ATOM 199 CA ALA A 17 -7.165 4.362 1.077 1.00 0.00 C ATOM 200 C ALA A 17 -8.307 5.335 0.803 1.00 0.00 C ATOM 201 O ALA A 17 -9.385 5.223 1.388 1.00 0.00 O ATOM 202 CB ALA A 17 -7.564 2.950 0.673 1.00 0.00 C ATOM 0 H ALA A 17 -7.484 4.047 3.125 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.307 4.670 0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.854 2.940 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.720 2.276 0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.404 2.620 1.284 1.00 0.00 H new ATOM 208 N SER A 18 -8.064 6.290 -0.089 1.00 0.00 N ATOM 209 CA SER A 18 -9.071 7.285 -0.437 1.00 0.00 C ATOM 210 C SER A 18 -9.757 6.927 -1.752 1.00 0.00 C ATOM 211 O SER A 18 -9.200 7.131 -2.831 1.00 0.00 O ATOM 212 CB SER A 18 -8.432 8.671 -0.543 1.00 0.00 C ATOM 213 OG SER A 18 -9.395 9.693 -0.345 1.00 0.00 O ATOM 0 H SER A 18 -7.178 6.396 -0.584 1.00 0.00 H new ATOM 0 HA SER A 18 -9.822 7.298 0.353 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.638 8.767 0.198 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.969 8.788 -1.523 1.00 0.00 H new ATOM 0 HG SER A 18 -8.962 10.569 -0.416 1.00 0.00 H new ATOM 219 N ILE A 19 -10.969 6.392 -1.652 1.00 0.00 N ATOM 220 CA ILE A 19 -11.733 6.006 -2.832 1.00 0.00 C ATOM 221 C ILE A 19 -12.184 7.231 -3.620 1.00 0.00 C ATOM 222 O ILE A 19 -12.989 8.030 -3.140 1.00 0.00 O ATOM 223 CB ILE A 19 -12.969 5.169 -2.454 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.568 4.015 -1.533 1.00 0.00 C ATOM 225 CG2 ILE A 19 -13.654 4.641 -3.706 1.00 0.00 C ATOM 226 CD1 ILE A 19 -11.764 2.938 -2.228 1.00 0.00 C ATOM 0 H ILE A 19 -11.443 6.216 -0.766 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.071 5.401 -3.452 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.673 5.808 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.987 4.411 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.468 3.569 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.526 4.051 -3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -13.969 5.478 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.958 4.015 -4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.515 2.152 -1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.351 2.515 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.846 3.370 -2.627 1.00 0.00 H new ATOM 238 N LEU A 20 -11.661 7.373 -4.833 1.00 0.00 N ATOM 239 CA LEU A 20 -12.011 8.501 -5.690 1.00 0.00 C ATOM 240 C LEU A 20 -12.908 8.053 -6.839 1.00 0.00 C ATOM 241 O LEU A 20 -13.919 8.691 -7.136 1.00 0.00 O ATOM 242 CB LEU A 20 -10.746 9.159 -6.242 1.00 0.00 C ATOM 243 CG LEU A 20 -9.622 9.405 -5.234 1.00 0.00 C ATOM 244 CD1 LEU A 20 -8.381 9.932 -5.937 1.00 0.00 C ATOM 245 CD2 LEU A 20 -10.078 10.373 -4.153 1.00 0.00 C ATOM 0 H LEU A 20 -10.993 6.721 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.558 9.227 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.356 8.534 -7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -11.023 10.114 -6.688 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.370 8.456 -4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.592 10.101 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.042 9.203 -6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.618 10.870 -6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.266 10.536 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.358 11.322 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.938 9.955 -3.629 1.00 0.00 H new ATOM 257 N SER A 21 -12.533 6.952 -7.482 1.00 0.00 N ATOM 258 CA SER A 21 -13.302 6.420 -8.600 1.00 0.00 C ATOM 259 C SER A 21 -13.434 4.903 -8.496 1.00 0.00 C ATOM 260 O SER A 21 -12.998 4.297 -7.517 1.00 0.00 O ATOM 261 CB SER A 21 -12.641 6.796 -9.927 1.00 0.00 C ATOM 262 OG SER A 21 -12.087 8.099 -9.870 1.00 0.00 O ATOM 0 H SER A 21 -11.701 6.411 -7.247 1.00 0.00 H new ATOM 0 HA SER A 21 -14.300 6.858 -8.563 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.859 6.075 -10.164 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.376 6.745 -10.730 1.00 0.00 H new ATOM 0 HG SER A 21 -11.669 8.315 -10.730 1.00 0.00 H new ATOM 268 N HIS A 22 -14.037 4.297 -9.513 1.00 0.00 N ATOM 269 CA HIS A 22 -14.226 2.851 -9.538 1.00 0.00 C ATOM 270 C HIS A 22 -12.890 2.131 -9.696 1.00 0.00 C ATOM 271 O HIS A 22 -12.707 1.024 -9.190 1.00 0.00 O ATOM 272 CB HIS A 22 -15.169 2.458 -10.676 1.00 0.00 C ATOM 273 CG HIS A 22 -14.611 2.734 -12.038 1.00 0.00 C ATOM 274 ND1 HIS A 22 -14.537 4.000 -12.579 1.00 0.00 N ATOM 275 CD2 HIS A 22 -14.096 1.898 -12.970 1.00 0.00 C ATOM 276 CE1 HIS A 22 -14.003 3.931 -13.785 1.00 0.00 C ATOM 277 NE2 HIS A 22 -13.726 2.667 -14.046 1.00 0.00 N ATOM 0 H HIS A 22 -14.403 4.784 -10.331 1.00 0.00 H new ATOM 0 HA HIS A 22 -14.670 2.551 -8.589 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.400 1.396 -10.595 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.109 2.998 -10.561 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.995 0.826 -12.883 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.823 4.767 -14.445 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.305 2.318 -14.907 1.00 0.00 H new ATOM 286 N ASP A 23 -11.962 2.766 -10.402 1.00 0.00 N ATOM 287 CA ASP A 23 -10.642 2.187 -10.627 1.00 0.00 C ATOM 288 C ASP A 23 -9.544 3.151 -10.191 1.00 0.00 C ATOM 289 O ASP A 23 -8.434 3.128 -10.725 1.00 0.00 O ATOM 290 CB ASP A 23 -10.465 1.825 -12.102 1.00 0.00 C ATOM 291 CG ASP A 23 -11.223 0.569 -12.485 1.00 0.00 C ATOM 292 OD1 ASP A 23 -12.142 0.179 -11.736 1.00 0.00 O ATOM 293 OD2 ASP A 23 -10.895 -0.025 -13.534 1.00 0.00 O ATOM 0 H ASP A 23 -12.099 3.682 -10.829 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.563 1.280 -10.027 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.807 2.655 -12.720 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.405 1.685 -12.314 1.00 0.00 H new ATOM 298 N THR A 24 -9.860 4.001 -9.219 1.00 0.00 N ATOM 299 CA THR A 24 -8.901 4.975 -8.713 1.00 0.00 C ATOM 300 C THR A 24 -8.920 5.025 -7.190 1.00 0.00 C ATOM 301 O THR A 24 -9.980 5.157 -6.577 1.00 0.00 O ATOM 302 CB THR A 24 -9.188 6.384 -9.265 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.426 6.319 -10.676 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.024 7.323 -8.985 1.00 0.00 C ATOM 0 H THR A 24 -10.773 4.034 -8.766 1.00 0.00 H new ATOM 0 HA THR A 24 -7.916 4.654 -9.051 1.00 0.00 H new ATOM 0 HB THR A 24 -10.075 6.772 -8.765 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.609 7.219 -11.019 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.250 8.312 -9.384 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.864 7.394 -7.909 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.123 6.937 -9.461 1.00 0.00 H new ATOM 312 N ILE A 25 -7.742 4.921 -6.584 1.00 0.00 N ATOM 313 CA ILE A 25 -7.624 4.956 -5.132 1.00 0.00 C ATOM 314 C ILE A 25 -6.305 5.590 -4.703 1.00 0.00 C ATOM 315 O ILE A 25 -5.261 5.345 -5.307 1.00 0.00 O ATOM 316 CB ILE A 25 -7.723 3.544 -4.525 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.065 2.903 -4.885 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.547 3.604 -3.015 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.236 1.507 -4.330 1.00 0.00 C ATOM 0 H ILE A 25 -6.856 4.812 -7.077 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.452 5.560 -4.762 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.925 2.929 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.872 3.535 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.162 2.868 -5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.619 2.599 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.569 4.024 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.326 4.232 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.210 1.115 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.451 0.861 -4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.171 1.537 -3.242 1.00 0.00 H new ATOM 331 N ARG A 26 -6.361 6.406 -3.655 1.00 0.00 N ATOM 332 CA ARG A 26 -5.171 7.075 -3.144 1.00 0.00 C ATOM 333 C ARG A 26 -4.648 6.375 -1.893 1.00 0.00 C ATOM 334 O ARG A 26 -5.390 6.162 -0.934 1.00 0.00 O ATOM 335 CB ARG A 26 -5.479 8.541 -2.831 1.00 0.00 C ATOM 336 CG ARG A 26 -4.240 9.415 -2.728 1.00 0.00 C ATOM 337 CD ARG A 26 -4.594 10.838 -2.324 1.00 0.00 C ATOM 338 NE ARG A 26 -3.604 11.803 -2.794 1.00 0.00 N ATOM 339 CZ ARG A 26 -3.616 13.089 -2.463 1.00 0.00 C ATOM 340 NH1 ARG A 26 -4.562 13.562 -1.663 1.00 0.00 N ATOM 341 NH2 ARG A 26 -2.681 13.905 -2.931 1.00 0.00 N ATOM 0 H ARG A 26 -7.217 6.619 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.400 7.029 -3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.131 8.940 -3.608 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.031 8.595 -1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.552 8.989 -1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.721 9.426 -3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.573 11.097 -2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.672 10.898 -1.238 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.862 11.471 -3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.283 12.938 -1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.569 14.550 -1.410 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.951 13.545 -3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.692 14.893 -2.676 1.00 0.00 H new ATOM 355 N ILE A 27 -3.368 6.020 -1.912 1.00 0.00 N ATOM 356 CA ILE A 27 -2.747 5.345 -0.779 1.00 0.00 C ATOM 357 C ILE A 27 -1.603 6.174 -0.205 1.00 0.00 C ATOM 358 O ILE A 27 -0.467 6.096 -0.675 1.00 0.00 O ATOM 359 CB ILE A 27 -2.210 3.957 -1.176 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.330 3.108 -1.782 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.603 3.258 0.031 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.598 3.102 -0.957 1.00 0.00 C ATOM 0 H ILE A 27 -2.741 6.188 -2.699 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.521 5.224 -0.021 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.430 4.087 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.558 3.481 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.976 2.083 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.228 2.279 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.781 3.857 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.364 3.137 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.348 2.481 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.385 2.701 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.976 4.120 -0.863 1.00 0.00 H new ATOM 374 N THR A 28 -1.909 6.967 0.817 1.00 0.00 N ATOM 375 CA THR A 28 -0.907 7.811 1.457 1.00 0.00 C ATOM 376 C THR A 28 -0.533 7.272 2.833 1.00 0.00 C ATOM 377 O THR A 28 -1.383 6.760 3.562 1.00 0.00 O ATOM 378 CB THR A 28 -1.405 9.261 1.604 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.693 9.276 2.231 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.488 9.945 0.248 1.00 0.00 C ATOM 0 H THR A 28 -2.843 7.043 1.220 1.00 0.00 H new ATOM 0 HA THR A 28 -0.027 7.801 0.814 1.00 0.00 H new ATOM 0 HB THR A 28 -0.693 9.805 2.225 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.002 10.202 2.322 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.842 10.968 0.377 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.501 9.958 -0.214 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.181 9.400 -0.393 1.00 0.00 H new ATOM 388 N TRP A 29 0.743 7.391 3.182 1.00 0.00 N ATOM 389 CA TRP A 29 1.229 6.916 4.473 1.00 0.00 C ATOM 390 C TRP A 29 2.341 7.816 5.000 1.00 0.00 C ATOM 391 O TRP A 29 2.711 8.801 4.361 1.00 0.00 O ATOM 392 CB TRP A 29 1.735 5.477 4.352 1.00 0.00 C ATOM 393 CG TRP A 29 2.838 5.317 3.350 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.179 5.414 3.585 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.693 5.034 1.954 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.877 5.208 2.420 1.00 0.00 N ATOM 397 CE2 TRP A 29 3.988 4.972 1.405 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.595 4.824 1.115 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.213 4.711 0.056 1.00 0.00 C ATOM 400 CZ3 TRP A 29 1.819 4.565 -0.224 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.120 4.509 -0.743 1.00 0.00 C ATOM 0 H TRP A 29 1.459 7.812 2.590 1.00 0.00 H new ATOM 0 HA TRP A 29 0.399 6.944 5.179 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.088 5.140 5.327 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.904 4.829 4.073 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.626 5.622 4.546 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.892 5.228 2.326 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.589 4.863 1.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.215 4.669 -0.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.978 4.403 -0.881 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.263 4.303 -1.793 1.00 0.00 H new ATOM 412 N ALA A 30 2.872 7.471 6.169 1.00 0.00 N ATOM 413 CA ALA A 30 3.943 8.247 6.780 1.00 0.00 C ATOM 414 C ALA A 30 5.057 7.339 7.291 1.00 0.00 C ATOM 415 O ALA A 30 4.843 6.149 7.522 1.00 0.00 O ATOM 416 CB ALA A 30 3.395 9.102 7.914 1.00 0.00 C ATOM 0 H ALA A 30 2.577 6.659 6.711 1.00 0.00 H new ATOM 0 HA ALA A 30 4.364 8.901 6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.206 9.676 8.361 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.640 9.784 7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.946 8.459 8.671 1.00 0.00 H new ATOM 422 N ASP A 31 6.245 7.907 7.464 1.00 0.00 N ATOM 423 CA ASP A 31 7.392 7.148 7.947 1.00 0.00 C ATOM 424 C ASP A 31 8.046 7.849 9.134 1.00 0.00 C ATOM 425 O ASP A 31 8.857 8.758 8.960 1.00 0.00 O ATOM 426 CB ASP A 31 8.414 6.957 6.825 1.00 0.00 C ATOM 427 CG ASP A 31 9.243 5.700 7.005 1.00 0.00 C ATOM 428 OD1 ASP A 31 8.774 4.774 7.699 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.360 5.642 6.450 1.00 0.00 O ATOM 0 H ASP A 31 6.439 8.891 7.277 1.00 0.00 H new ATOM 0 HA ASP A 31 7.038 6.171 8.275 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.894 6.912 5.868 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.075 7.823 6.788 1.00 0.00 H new ATOM 434 N ASN A 32 7.687 7.420 10.339 1.00 0.00 N ATOM 435 CA ASN A 32 8.238 8.008 11.555 1.00 0.00 C ATOM 436 C ASN A 32 9.762 8.050 11.496 1.00 0.00 C ATOM 437 O ASN A 32 10.400 8.820 12.215 1.00 0.00 O ATOM 438 CB ASN A 32 7.786 7.213 12.781 1.00 0.00 C ATOM 439 CG ASN A 32 6.394 7.602 13.241 1.00 0.00 C ATOM 440 OD1 ASN A 32 6.165 8.731 13.676 1.00 0.00 O ATOM 441 ND2 ASN A 32 5.457 6.666 13.147 1.00 0.00 N ATOM 0 H ASN A 32 7.017 6.668 10.500 1.00 0.00 H new ATOM 0 HA ASN A 32 7.866 9.030 11.636 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.804 6.148 12.547 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.493 7.373 13.595 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.502 6.869 13.442 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.692 5.744 12.780 1.00 0.00 H new ATOM 448 N SER A 33 10.339 7.218 10.636 1.00 0.00 N ATOM 449 CA SER A 33 11.788 7.158 10.485 1.00 0.00 C ATOM 450 C SER A 33 12.330 8.464 9.910 1.00 0.00 C ATOM 451 O SER A 33 13.327 9.002 10.392 1.00 0.00 O ATOM 452 CB SER A 33 12.180 5.988 9.580 1.00 0.00 C ATOM 453 OG SER A 33 13.570 6.001 9.304 1.00 0.00 O ATOM 0 H SER A 33 9.825 6.576 10.033 1.00 0.00 H new ATOM 0 HA SER A 33 12.225 7.007 11.472 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.910 5.047 10.059 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.620 6.043 8.646 1.00 0.00 H new ATOM 0 HG SER A 33 13.796 5.243 8.725 1.00 0.00 H new ATOM 459 N LEU A 34 11.665 8.968 8.877 1.00 0.00 N ATOM 460 CA LEU A 34 12.078 10.211 8.234 1.00 0.00 C ATOM 461 C LEU A 34 12.414 11.275 9.274 1.00 0.00 C ATOM 462 O LEU A 34 11.906 11.266 10.395 1.00 0.00 O ATOM 463 CB LEU A 34 10.973 10.720 7.306 1.00 0.00 C ATOM 464 CG LEU A 34 10.805 9.966 5.986 1.00 0.00 C ATOM 465 CD1 LEU A 34 9.394 10.140 5.448 1.00 0.00 C ATOM 466 CD2 LEU A 34 11.829 10.443 4.966 1.00 0.00 C ATOM 0 H LEU A 34 10.838 8.536 8.466 1.00 0.00 H new ATOM 0 HA LEU A 34 12.973 10.008 7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.027 10.682 7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.170 11.768 7.080 1.00 0.00 H new ATOM 0 HG LEU A 34 10.973 8.905 6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.293 9.597 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.678 9.750 6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.197 11.199 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.695 9.896 4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.692 11.509 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.834 10.266 5.349 1.00 0.00 H new ATOM 478 N PRO A 35 13.291 12.217 8.894 1.00 0.00 N ATOM 479 CA PRO A 35 13.713 13.308 9.778 1.00 0.00 C ATOM 480 C PRO A 35 12.595 14.312 10.034 1.00 0.00 C ATOM 481 O PRO A 35 11.460 14.119 9.597 1.00 0.00 O ATOM 482 CB PRO A 35 14.858 13.968 9.005 1.00 0.00 C ATOM 483 CG PRO A 35 14.584 13.647 7.576 1.00 0.00 C ATOM 484 CD PRO A 35 13.936 12.290 7.573 1.00 0.00 C ATOM 0 HA PRO A 35 14.000 12.945 10.765 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.879 15.045 9.172 1.00 0.00 H new ATOM 0 HB3 PRO A 35 15.826 13.577 9.320 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.929 14.393 7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.506 13.641 6.994 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.210 12.193 6.766 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.669 11.495 7.439 1.00 0.00 H new ATOM 492 N LYS A 36 12.922 15.387 10.744 1.00 0.00 N ATOM 493 CA LYS A 36 11.946 16.424 11.058 1.00 0.00 C ATOM 494 C LYS A 36 11.027 16.683 9.868 1.00 0.00 C ATOM 495 O LYS A 36 9.843 16.344 9.899 1.00 0.00 O ATOM 496 CB LYS A 36 12.657 17.718 11.459 1.00 0.00 C ATOM 497 CG LYS A 36 11.852 18.584 12.411 1.00 0.00 C ATOM 498 CD LYS A 36 12.722 19.637 13.078 1.00 0.00 C ATOM 499 CE LYS A 36 13.571 19.036 14.188 1.00 0.00 C ATOM 500 NZ LYS A 36 14.732 19.904 14.529 1.00 0.00 N ATOM 0 H LYS A 36 13.857 15.563 11.113 1.00 0.00 H new ATOM 0 HA LYS A 36 11.339 16.077 11.894 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.610 17.469 11.925 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.882 18.293 10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.043 19.071 11.866 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.390 17.956 13.173 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.369 20.101 12.334 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.091 20.426 13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.956 18.887 15.075 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.930 18.054 13.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.286 19.460 15.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.333 20.026 13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.389 20.833 14.847 1.00 0.00 H new ATOM 514 N HIS A 37 11.579 17.286 8.820 1.00 0.00 N ATOM 515 CA HIS A 37 10.809 17.589 7.619 1.00 0.00 C ATOM 516 C HIS A 37 10.511 16.318 6.830 1.00 0.00 C ATOM 517 O HIS A 37 11.326 15.397 6.788 1.00 0.00 O ATOM 518 CB HIS A 37 11.567 18.583 6.739 1.00 0.00 C ATOM 519 CG HIS A 37 13.002 18.214 6.517 1.00 0.00 C ATOM 520 ND1 HIS A 37 13.391 17.074 5.847 1.00 0.00 N ATOM 521 CD2 HIS A 37 14.144 18.843 6.880 1.00 0.00 C ATOM 522 CE1 HIS A 37 14.710 17.016 5.808 1.00 0.00 C ATOM 523 NE2 HIS A 37 15.191 18.079 6.428 1.00 0.00 N ATOM 0 H HIS A 37 12.556 17.574 8.778 1.00 0.00 H new ATOM 0 HA HIS A 37 9.863 18.035 7.927 1.00 0.00 H new ATOM 0 HB2 HIS A 37 11.066 18.657 5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.521 19.571 7.198 1.00 0.00 H new ATOM 0 HD1 HIS A 37 12.759 16.383 5.444 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.218 19.773 7.424 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.295 16.234 5.348 1.00 0.00 H new ATOM 532 N GLN A 38 9.337 16.275 6.208 1.00 0.00 N ATOM 533 CA GLN A 38 8.931 15.116 5.422 1.00 0.00 C ATOM 534 C GLN A 38 9.647 15.093 4.075 1.00 0.00 C ATOM 535 O GLN A 38 9.110 15.550 3.066 1.00 0.00 O ATOM 536 CB GLN A 38 7.417 15.124 5.207 1.00 0.00 C ATOM 537 CG GLN A 38 6.828 13.742 4.970 1.00 0.00 C ATOM 538 CD GLN A 38 6.521 13.010 6.262 1.00 0.00 C ATOM 539 OE1 GLN A 38 5.371 12.954 6.699 1.00 0.00 O ATOM 540 NE2 GLN A 38 7.550 12.443 6.881 1.00 0.00 N ATOM 0 H GLN A 38 8.651 17.029 6.233 1.00 0.00 H new ATOM 0 HA GLN A 38 9.208 14.219 5.976 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.937 15.570 6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.183 15.761 4.354 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.914 13.836 4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.526 13.150 4.378 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.487 12.514 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.404 11.936 7.754 1.00 0.00 H new ATOM 549 N LYS A 39 10.864 14.559 4.067 1.00 0.00 N ATOM 550 CA LYS A 39 11.655 14.475 2.845 1.00 0.00 C ATOM 551 C LYS A 39 12.562 13.250 2.867 1.00 0.00 C ATOM 552 O LYS A 39 13.463 13.148 3.701 1.00 0.00 O ATOM 553 CB LYS A 39 12.495 15.742 2.669 1.00 0.00 C ATOM 554 CG LYS A 39 11.700 17.026 2.827 1.00 0.00 C ATOM 555 CD LYS A 39 12.559 18.251 2.558 1.00 0.00 C ATOM 556 CE LYS A 39 11.713 19.509 2.437 1.00 0.00 C ATOM 557 NZ LYS A 39 11.218 19.714 1.047 1.00 0.00 N ATOM 0 H LYS A 39 11.324 14.178 4.894 1.00 0.00 H new ATOM 0 HA LYS A 39 10.969 14.381 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.306 15.734 3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.955 15.729 1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.853 17.017 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.293 17.081 3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.282 18.374 3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.127 18.104 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.865 19.443 3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.302 20.373 2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.646 20.582 1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.027 19.803 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.635 18.901 0.763 1.00 0.00 H new ATOM 571 N ILE A 40 12.321 12.323 1.946 1.00 0.00 N ATOM 572 CA ILE A 40 13.118 11.106 1.859 1.00 0.00 C ATOM 573 C ILE A 40 14.473 11.382 1.215 1.00 0.00 C ATOM 574 O ILE A 40 14.642 11.224 0.006 1.00 0.00 O ATOM 575 CB ILE A 40 12.392 10.013 1.053 1.00 0.00 C ATOM 576 CG1 ILE A 40 10.955 9.851 1.552 1.00 0.00 C ATOM 577 CG2 ILE A 40 13.144 8.695 1.151 1.00 0.00 C ATOM 578 CD1 ILE A 40 10.094 8.996 0.648 1.00 0.00 C ATOM 0 H ILE A 40 11.579 12.392 1.249 1.00 0.00 H new ATOM 0 HA ILE A 40 13.268 10.753 2.879 1.00 0.00 H new ATOM 0 HB ILE A 40 12.361 10.314 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.973 9.409 2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.499 10.836 1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.618 7.933 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 40 14.151 8.820 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.203 8.386 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.089 8.925 1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.046 9.448 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.526 7.998 0.571 1.00 0.00 H new ATOM 590 N THR A 41 15.438 11.793 2.032 1.00 0.00 N ATOM 591 CA THR A 41 16.778 12.090 1.544 1.00 0.00 C ATOM 592 C THR A 41 17.586 10.813 1.345 1.00 0.00 C ATOM 593 O THR A 41 18.684 10.842 0.788 1.00 0.00 O ATOM 594 CB THR A 41 17.536 13.018 2.511 1.00 0.00 C ATOM 595 OG1 THR A 41 17.681 12.384 3.787 1.00 0.00 O ATOM 596 CG2 THR A 41 16.803 14.341 2.677 1.00 0.00 C ATOM 0 H THR A 41 15.316 11.928 3.036 1.00 0.00 H new ATOM 0 HA THR A 41 16.660 12.595 0.586 1.00 0.00 H new ATOM 0 HB THR A 41 18.522 13.217 2.091 1.00 0.00 H new ATOM 0 HG1 THR A 41 18.166 12.980 4.395 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.357 14.980 3.364 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.720 14.835 1.709 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.806 14.157 3.077 1.00 0.00 H new ATOM 604 N ASP A 42 17.037 9.693 1.804 1.00 0.00 N ATOM 605 CA ASP A 42 17.706 8.404 1.675 1.00 0.00 C ATOM 606 C ASP A 42 17.438 7.787 0.306 1.00 0.00 C ATOM 607 O ASP A 42 16.535 8.215 -0.413 1.00 0.00 O ATOM 608 CB ASP A 42 17.242 7.452 2.777 1.00 0.00 C ATOM 609 CG ASP A 42 18.170 6.265 2.945 1.00 0.00 C ATOM 610 OD1 ASP A 42 19.271 6.447 3.505 1.00 0.00 O ATOM 611 OD2 ASP A 42 17.795 5.153 2.516 1.00 0.00 O ATOM 0 H ASP A 42 16.130 9.652 2.269 1.00 0.00 H new ATOM 0 HA ASP A 42 18.779 8.568 1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 42 17.178 7.996 3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.238 7.095 2.546 1.00 0.00 H new ATOM 616 N SER A 43 18.230 6.780 -0.049 1.00 0.00 N ATOM 617 CA SER A 43 18.081 6.107 -1.335 1.00 0.00 C ATOM 618 C SER A 43 17.338 4.785 -1.172 1.00 0.00 C ATOM 619 O SER A 43 17.895 3.714 -1.414 1.00 0.00 O ATOM 620 CB SER A 43 19.452 5.861 -1.967 1.00 0.00 C ATOM 621 OG SER A 43 19.851 6.962 -2.765 1.00 0.00 O ATOM 0 H SER A 43 18.981 6.412 0.535 1.00 0.00 H new ATOM 0 HA SER A 43 17.498 6.753 -1.991 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.191 5.688 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.418 4.959 -2.578 1.00 0.00 H new ATOM 0 HG SER A 43 20.731 6.781 -3.156 1.00 0.00 H new ATOM 627 N ARG A 44 16.077 4.868 -0.761 1.00 0.00 N ATOM 628 CA ARG A 44 15.258 3.678 -0.564 1.00 0.00 C ATOM 629 C ARG A 44 14.054 3.686 -1.503 1.00 0.00 C ATOM 630 O ARG A 44 13.890 4.601 -2.310 1.00 0.00 O ATOM 631 CB ARG A 44 14.785 3.593 0.888 1.00 0.00 C ATOM 632 CG ARG A 44 14.023 4.823 1.354 1.00 0.00 C ATOM 633 CD ARG A 44 13.764 4.783 2.852 1.00 0.00 C ATOM 634 NE ARG A 44 13.702 6.122 3.432 1.00 0.00 N ATOM 635 CZ ARG A 44 13.263 6.371 4.660 1.00 0.00 C ATOM 636 NH1 ARG A 44 12.849 5.377 5.434 1.00 0.00 N ATOM 637 NH2 ARG A 44 13.237 7.617 5.117 1.00 0.00 N ATOM 0 H ARG A 44 15.600 5.747 -0.558 1.00 0.00 H new ATOM 0 HA ARG A 44 15.869 2.805 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.148 2.716 1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.650 3.445 1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.591 5.720 1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.074 4.888 0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.827 4.261 3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.553 4.212 3.341 1.00 0.00 H new ATOM 0 HE ARG A 44 14.013 6.909 2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.867 4.418 5.086 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.512 5.571 6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.554 8.384 4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.900 7.807 6.061 1.00 0.00 H new ATOM 651 N TYR A 45 13.217 2.661 -1.391 1.00 0.00 N ATOM 652 CA TYR A 45 12.031 2.548 -2.231 1.00 0.00 C ATOM 653 C TYR A 45 10.910 1.819 -1.496 1.00 0.00 C ATOM 654 O TYR A 45 11.160 0.910 -0.704 1.00 0.00 O ATOM 655 CB TYR A 45 12.367 1.813 -3.529 1.00 0.00 C ATOM 656 CG TYR A 45 12.851 0.396 -3.314 1.00 0.00 C ATOM 657 CD1 TYR A 45 14.161 0.139 -2.929 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.998 -0.685 -3.498 1.00 0.00 C ATOM 659 CE1 TYR A 45 14.607 -1.153 -2.732 1.00 0.00 C ATOM 660 CE2 TYR A 45 12.435 -1.981 -3.302 1.00 0.00 C ATOM 661 CZ TYR A 45 13.740 -2.210 -2.920 1.00 0.00 C ATOM 662 OH TYR A 45 14.180 -3.499 -2.725 1.00 0.00 O ATOM 0 H TYR A 45 13.338 1.896 -0.727 1.00 0.00 H new ATOM 0 HA TYR A 45 11.690 3.555 -2.470 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.482 1.793 -4.165 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.133 2.372 -4.066 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.842 0.964 -2.781 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.976 -0.509 -3.799 1.00 0.00 H new ATOM 0 HE1 TYR A 45 15.629 -1.335 -2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.758 -2.810 -3.447 1.00 0.00 H new ATOM 0 HH TYR A 45 13.446 -4.125 -2.898 1.00 0.00 H new ATOM 672 N TYR A 46 9.674 2.225 -1.764 1.00 0.00 N ATOM 673 CA TYR A 46 8.513 1.613 -1.128 1.00 0.00 C ATOM 674 C TYR A 46 7.839 0.617 -2.068 1.00 0.00 C ATOM 675 O TYR A 46 7.811 0.812 -3.283 1.00 0.00 O ATOM 676 CB TYR A 46 7.512 2.688 -0.703 1.00 0.00 C ATOM 677 CG TYR A 46 7.875 3.373 0.596 1.00 0.00 C ATOM 678 CD1 TYR A 46 8.766 4.438 0.617 1.00 0.00 C ATOM 679 CD2 TYR A 46 7.324 2.955 1.801 1.00 0.00 C ATOM 680 CE1 TYR A 46 9.100 5.066 1.801 1.00 0.00 C ATOM 681 CE2 TYR A 46 7.652 3.578 2.990 1.00 0.00 C ATOM 682 CZ TYR A 46 8.540 4.633 2.985 1.00 0.00 C ATOM 683 OH TYR A 46 8.870 5.256 4.166 1.00 0.00 O ATOM 0 H TYR A 46 9.450 2.975 -2.417 1.00 0.00 H new ATOM 0 HA TYR A 46 8.856 1.076 -0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.439 3.437 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.526 2.235 -0.602 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.205 4.781 -0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.628 2.129 1.809 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.796 5.892 1.800 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.215 3.240 3.918 1.00 0.00 H new ATOM 0 HH TYR A 46 9.698 4.869 4.520 1.00 0.00 H new ATOM 693 N THR A 47 7.295 -0.452 -1.495 1.00 0.00 N ATOM 694 CA THR A 47 6.621 -1.479 -2.278 1.00 0.00 C ATOM 695 C THR A 47 5.225 -1.759 -1.734 1.00 0.00 C ATOM 696 O THR A 47 5.069 -2.420 -0.707 1.00 0.00 O ATOM 697 CB THR A 47 7.426 -2.792 -2.294 1.00 0.00 C ATOM 698 OG1 THR A 47 8.699 -2.579 -2.914 1.00 0.00 O ATOM 699 CG2 THR A 47 6.670 -3.882 -3.039 1.00 0.00 C ATOM 0 H THR A 47 7.308 -0.629 -0.491 1.00 0.00 H new ATOM 0 HA THR A 47 6.541 -1.098 -3.296 1.00 0.00 H new ATOM 0 HB THR A 47 7.574 -3.114 -1.263 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.205 -3.418 -2.919 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.258 -4.799 -3.037 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.714 -4.063 -2.547 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.495 -3.566 -4.067 1.00 0.00 H new ATOM 707 N VAL A 48 4.212 -1.251 -2.428 1.00 0.00 N ATOM 708 CA VAL A 48 2.827 -1.448 -2.014 1.00 0.00 C ATOM 709 C VAL A 48 2.211 -2.654 -2.715 1.00 0.00 C ATOM 710 O VAL A 48 2.280 -2.777 -3.937 1.00 0.00 O ATOM 711 CB VAL A 48 1.971 -0.203 -2.310 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.519 -0.450 -1.927 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.525 1.010 -1.579 1.00 0.00 C ATOM 0 H VAL A 48 4.324 -0.700 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 48 2.839 -1.624 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 48 2.010 -0.002 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.071 0.441 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.130 -1.291 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.457 -0.677 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.908 1.881 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.518 0.822 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.547 1.197 -1.907 1.00 0.00 H new ATOM 723 N ARG A 49 1.607 -3.541 -1.931 1.00 0.00 N ATOM 724 CA ARG A 49 0.978 -4.739 -2.476 1.00 0.00 C ATOM 725 C ARG A 49 -0.542 -4.647 -2.377 1.00 0.00 C ATOM 726 O ARG A 49 -1.077 -3.859 -1.598 1.00 0.00 O ATOM 727 CB ARG A 49 1.474 -5.983 -1.737 1.00 0.00 C ATOM 728 CG ARG A 49 0.898 -6.130 -0.338 1.00 0.00 C ATOM 729 CD ARG A 49 0.901 -7.581 0.116 1.00 0.00 C ATOM 730 NE ARG A 49 0.676 -7.706 1.554 1.00 0.00 N ATOM 731 CZ ARG A 49 0.437 -8.862 2.163 1.00 0.00 C ATOM 732 NH1 ARG A 49 0.394 -9.987 1.463 1.00 0.00 N ATOM 733 NH2 ARG A 49 0.242 -8.894 3.475 1.00 0.00 N ATOM 0 H ARG A 49 1.540 -3.453 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 49 1.253 -4.817 -3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.219 -6.868 -2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.561 -5.947 -1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.479 -5.528 0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.121 -5.744 -0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.128 -8.130 -0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.855 -8.040 -0.143 1.00 0.00 H new ATOM 0 HE ARG A 49 0.704 -6.859 2.122 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.545 -9.966 0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.210 -10.873 1.933 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.276 -8.030 4.017 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.059 -9.782 3.942 1.00 0.00 H new ATOM 747 N TRP A 50 -1.231 -5.458 -3.172 1.00 0.00 N ATOM 748 CA TRP A 50 -2.689 -5.468 -3.174 1.00 0.00 C ATOM 749 C TRP A 50 -3.224 -6.675 -3.937 1.00 0.00 C ATOM 750 O TRP A 50 -2.688 -7.052 -4.979 1.00 0.00 O ATOM 751 CB TRP A 50 -3.228 -4.178 -3.795 1.00 0.00 C ATOM 752 CG TRP A 50 -3.000 -4.090 -5.274 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.877 -4.439 -6.260 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.817 -3.624 -5.932 1.00 0.00 C ATOM 755 NE1 TRP A 50 -3.311 -4.219 -7.493 1.00 0.00 N ATOM 756 CE2 TRP A 50 -2.048 -3.718 -7.319 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.586 -3.135 -5.486 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -1.092 -3.342 -8.259 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.361 -2.763 -6.421 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.104 -2.867 -7.794 1.00 0.00 C ATOM 0 H TRP A 50 -0.804 -6.117 -3.823 1.00 0.00 H new ATOM 0 HA TRP A 50 -3.028 -5.535 -2.140 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.297 -4.106 -3.595 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.754 -3.324 -3.310 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.870 -4.831 -6.095 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.759 -4.399 -8.392 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.379 -3.049 -4.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.288 -3.422 -9.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.316 -2.385 -6.087 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.865 -2.566 -8.499 1.00 0.00 H new ATOM 771 N LYS A 51 -4.285 -7.279 -3.411 1.00 0.00 N ATOM 772 CA LYS A 51 -4.894 -8.444 -4.043 1.00 0.00 C ATOM 773 C LYS A 51 -6.406 -8.442 -3.844 1.00 0.00 C ATOM 774 O LYS A 51 -6.952 -7.574 -3.162 1.00 0.00 O ATOM 775 CB LYS A 51 -4.295 -9.731 -3.471 1.00 0.00 C ATOM 776 CG LYS A 51 -4.763 -10.046 -2.061 1.00 0.00 C ATOM 777 CD LYS A 51 -4.791 -11.543 -1.804 1.00 0.00 C ATOM 778 CE LYS A 51 -5.228 -11.856 -0.381 1.00 0.00 C ATOM 779 NZ LYS A 51 -6.706 -12.011 -0.276 1.00 0.00 N ATOM 0 H LYS A 51 -4.741 -6.981 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.686 -8.397 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.553 -10.564 -4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.208 -9.649 -3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.101 -9.565 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.759 -9.631 -1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.471 -12.022 -2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.801 -11.962 -1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.742 -12.772 -0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.898 -11.058 0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.040 -11.566 0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.162 -11.553 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.949 -13.022 -0.266 1.00 0.00 H new ATOM 793 N THR A 52 -7.078 -9.420 -4.442 1.00 0.00 N ATOM 794 CA THR A 52 -8.527 -9.532 -4.330 1.00 0.00 C ATOM 795 C THR A 52 -8.921 -10.476 -3.200 1.00 0.00 C ATOM 796 O THR A 52 -8.146 -11.347 -2.809 1.00 0.00 O ATOM 797 CB THR A 52 -9.155 -10.033 -5.644 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.632 -11.323 -5.977 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.880 -9.060 -6.781 1.00 0.00 C ATOM 0 H THR A 52 -6.642 -10.147 -5.009 1.00 0.00 H new ATOM 0 HA THR A 52 -8.904 -8.533 -4.113 1.00 0.00 H new ATOM 0 HB THR A 52 -10.233 -10.105 -5.501 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.372 -11.944 -6.142 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.333 -9.435 -7.699 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.306 -8.086 -6.538 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.804 -8.960 -6.922 1.00 0.00 H new ATOM 807 N ASN A 53 -10.130 -10.296 -2.679 1.00 0.00 N ATOM 808 CA ASN A 53 -10.627 -11.133 -1.593 1.00 0.00 C ATOM 809 C ASN A 53 -11.251 -12.415 -2.135 1.00 0.00 C ATOM 810 O ASN A 53 -11.464 -13.375 -1.394 1.00 0.00 O ATOM 811 CB ASN A 53 -11.654 -10.365 -0.758 1.00 0.00 C ATOM 812 CG ASN A 53 -11.782 -10.914 0.650 1.00 0.00 C ATOM 813 OD1 ASN A 53 -11.004 -10.564 1.537 1.00 0.00 O ATOM 814 ND2 ASN A 53 -12.767 -11.780 0.860 1.00 0.00 N ATOM 0 H ASN A 53 -10.784 -9.578 -2.991 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.782 -11.402 -0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.367 -9.314 -0.711 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.625 -10.408 -1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.902 -12.184 1.787 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.388 -12.041 0.094 1.00 0.00 H new ATOM 821 N ILE A 54 -11.540 -12.423 -3.432 1.00 0.00 N ATOM 822 CA ILE A 54 -12.138 -13.587 -4.074 1.00 0.00 C ATOM 823 C ILE A 54 -11.489 -13.863 -5.426 1.00 0.00 C ATOM 824 O ILE A 54 -11.474 -13.016 -6.319 1.00 0.00 O ATOM 825 CB ILE A 54 -13.654 -13.404 -4.272 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.385 -13.544 -2.935 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.182 -14.415 -5.279 1.00 0.00 C ATOM 828 CD1 ILE A 54 -14.513 -14.975 -2.463 1.00 0.00 C ATOM 0 H ILE A 54 -11.370 -11.637 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.967 -14.436 -3.412 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.837 -12.403 -4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.855 -12.966 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.381 -13.110 -3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.255 -14.273 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.679 -14.272 -6.236 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.991 -15.425 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -15.041 -14.998 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.070 -15.553 -3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.520 -15.407 -2.338 1.00 0.00 H new ATOM 840 N PRO A 55 -10.942 -15.077 -5.583 1.00 0.00 N ATOM 841 CA PRO A 55 -10.954 -16.093 -4.527 1.00 0.00 C ATOM 842 C PRO A 55 -10.044 -15.727 -3.359 1.00 0.00 C ATOM 843 O PRO A 55 -9.027 -15.058 -3.539 1.00 0.00 O ATOM 844 CB PRO A 55 -10.435 -17.347 -5.235 1.00 0.00 C ATOM 845 CG PRO A 55 -9.613 -16.831 -6.365 1.00 0.00 C ATOM 846 CD PRO A 55 -10.269 -15.551 -6.804 1.00 0.00 C ATOM 0 HA PRO A 55 -11.945 -16.213 -4.089 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.840 -17.964 -4.562 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.256 -17.968 -5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.584 -16.654 -6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.577 -17.551 -7.182 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.538 -14.828 -7.166 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.978 -15.720 -7.614 1.00 0.00 H new ATOM 854 N ALA A 56 -10.417 -16.169 -2.163 1.00 0.00 N ATOM 855 CA ALA A 56 -9.633 -15.889 -0.966 1.00 0.00 C ATOM 856 C ALA A 56 -8.143 -15.838 -1.286 1.00 0.00 C ATOM 857 O ALA A 56 -7.455 -14.882 -0.930 1.00 0.00 O ATOM 858 CB ALA A 56 -9.910 -16.936 0.103 1.00 0.00 C ATOM 0 H ALA A 56 -11.257 -16.723 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.930 -14.911 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.318 -16.715 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.969 -16.922 0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.641 -17.922 -0.275 1.00 0.00 H new ATOM 864 N ASN A 57 -7.651 -16.873 -1.959 1.00 0.00 N ATOM 865 CA ASN A 57 -6.241 -16.946 -2.325 1.00 0.00 C ATOM 866 C ASN A 57 -6.029 -16.490 -3.765 1.00 0.00 C ATOM 867 O ASN A 57 -6.652 -17.009 -4.692 1.00 0.00 O ATOM 868 CB ASN A 57 -5.720 -18.374 -2.149 1.00 0.00 C ATOM 869 CG ASN A 57 -4.213 -18.424 -1.987 1.00 0.00 C ATOM 870 OD1 ASN A 57 -3.469 -18.317 -2.962 1.00 0.00 O ATOM 871 ND2 ASN A 57 -3.756 -18.587 -0.751 1.00 0.00 N ATOM 0 H ASN A 57 -8.207 -17.672 -2.262 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.685 -16.280 -1.665 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.192 -18.825 -1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.010 -18.973 -3.013 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.751 -18.628 -0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.410 -18.671 0.027 1.00 0.00 H new ATOM 878 N THR A 58 -5.144 -15.514 -3.947 1.00 0.00 N ATOM 879 CA THR A 58 -4.849 -14.987 -5.273 1.00 0.00 C ATOM 880 C THR A 58 -3.469 -14.342 -5.314 1.00 0.00 C ATOM 881 O THR A 58 -3.047 -13.691 -4.357 1.00 0.00 O ATOM 882 CB THR A 58 -5.901 -13.950 -5.712 1.00 0.00 C ATOM 883 OG1 THR A 58 -7.173 -14.270 -5.137 1.00 0.00 O ATOM 884 CG2 THR A 58 -6.020 -13.909 -7.228 1.00 0.00 C ATOM 0 H THR A 58 -4.619 -15.073 -3.192 1.00 0.00 H new ATOM 0 HA THR A 58 -4.873 -15.832 -5.961 1.00 0.00 H new ATOM 0 HB THR A 58 -5.581 -12.969 -5.362 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.836 -13.606 -5.419 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.768 -13.170 -7.514 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.057 -13.637 -7.661 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.320 -14.890 -7.596 1.00 0.00 H new ATOM 892 N LYS A 59 -2.768 -14.525 -6.428 1.00 0.00 N ATOM 893 CA LYS A 59 -1.435 -13.959 -6.596 1.00 0.00 C ATOM 894 C LYS A 59 -1.377 -12.534 -6.055 1.00 0.00 C ATOM 895 O LYS A 59 -2.150 -11.670 -6.469 1.00 0.00 O ATOM 896 CB LYS A 59 -1.035 -13.972 -8.073 1.00 0.00 C ATOM 897 CG LYS A 59 -0.648 -15.348 -8.586 1.00 0.00 C ATOM 898 CD LYS A 59 0.810 -15.662 -8.296 1.00 0.00 C ATOM 899 CE LYS A 59 1.099 -17.148 -8.442 1.00 0.00 C ATOM 900 NZ LYS A 59 0.557 -17.934 -7.299 1.00 0.00 N ATOM 0 H LYS A 59 -3.102 -15.062 -7.229 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.733 -14.572 -6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.865 -13.591 -8.669 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.198 -13.290 -8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.283 -16.102 -8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.826 -15.400 -9.660 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.447 -15.098 -8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.059 -15.339 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.664 -17.513 -9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.176 -17.303 -8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.917 -18.909 -7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.857 -17.497 -6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.482 -17.945 -7.347 1.00 0.00 H new ATOM 914 N TYR A 60 -0.455 -12.295 -5.128 1.00 0.00 N ATOM 915 CA TYR A 60 -0.297 -10.975 -4.530 1.00 0.00 C ATOM 916 C TYR A 60 0.462 -10.040 -5.467 1.00 0.00 C ATOM 917 O TYR A 60 1.624 -10.280 -5.796 1.00 0.00 O ATOM 918 CB TYR A 60 0.438 -11.082 -3.193 1.00 0.00 C ATOM 919 CG TYR A 60 -0.480 -11.310 -2.014 1.00 0.00 C ATOM 920 CD1 TYR A 60 -1.191 -10.259 -1.448 1.00 0.00 C ATOM 921 CD2 TYR A 60 -0.637 -12.577 -1.465 1.00 0.00 C ATOM 922 CE1 TYR A 60 -2.030 -10.462 -0.370 1.00 0.00 C ATOM 923 CE2 TYR A 60 -1.476 -12.790 -0.388 1.00 0.00 C ATOM 924 CZ TYR A 60 -2.170 -11.729 0.156 1.00 0.00 C ATOM 925 OH TYR A 60 -3.006 -11.937 1.229 1.00 0.00 O ATOM 0 H TYR A 60 0.194 -12.998 -4.775 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.290 -10.561 -4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.156 -11.900 -3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.008 -10.168 -3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.086 -9.266 -1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.094 -13.409 -1.887 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.573 -9.633 0.059 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.588 -13.781 0.026 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.991 -12.885 1.476 1.00 0.00 H new ATOM 935 N LYS A 61 -0.203 -8.972 -5.893 1.00 0.00 N ATOM 936 CA LYS A 61 0.406 -7.997 -6.790 1.00 0.00 C ATOM 937 C LYS A 61 1.118 -6.902 -6.002 1.00 0.00 C ATOM 938 O LYS A 61 0.674 -6.514 -4.923 1.00 0.00 O ATOM 939 CB LYS A 61 -0.656 -7.377 -7.701 1.00 0.00 C ATOM 940 CG LYS A 61 -0.945 -8.198 -8.946 1.00 0.00 C ATOM 941 CD LYS A 61 -1.465 -7.329 -10.078 1.00 0.00 C ATOM 942 CE LYS A 61 -1.344 -8.032 -11.421 1.00 0.00 C ATOM 943 NZ LYS A 61 0.077 -8.232 -11.817 1.00 0.00 N ATOM 0 H LYS A 61 -1.166 -8.759 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 61 1.143 -8.516 -7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.580 -7.253 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.329 -6.381 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.036 -8.708 -9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.678 -8.970 -8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.508 -7.074 -9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.908 -6.393 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.846 -8.998 -11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.855 -7.446 -12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.254 -7.759 -12.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.700 -7.828 -11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.271 -9.249 -11.913 1.00 0.00 H new ATOM 957 N ASN A 62 2.223 -6.408 -6.550 1.00 0.00 N ATOM 958 CA ASN A 62 2.995 -5.357 -5.898 1.00 0.00 C ATOM 959 C ASN A 62 3.506 -4.344 -6.918 1.00 0.00 C ATOM 960 O ASN A 62 3.589 -4.637 -8.110 1.00 0.00 O ATOM 961 CB ASN A 62 4.173 -5.961 -5.130 1.00 0.00 C ATOM 962 CG ASN A 62 4.990 -6.914 -5.981 1.00 0.00 C ATOM 963 OD1 ASN A 62 5.548 -6.524 -7.007 1.00 0.00 O ATOM 964 ND2 ASN A 62 5.063 -8.170 -5.558 1.00 0.00 N ATOM 0 H ASN A 62 2.604 -6.719 -7.444 1.00 0.00 H new ATOM 0 HA ASN A 62 2.338 -4.842 -5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.816 -5.159 -4.768 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.799 -6.490 -4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.598 -8.857 -6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.584 -8.448 -4.701 1.00 0.00 H new ATOM 971 N ALA A 63 3.846 -3.151 -6.441 1.00 0.00 N ATOM 972 CA ALA A 63 4.351 -2.096 -7.310 1.00 0.00 C ATOM 973 C ALA A 63 5.655 -1.518 -6.772 1.00 0.00 C ATOM 974 O ALA A 63 6.117 -1.899 -5.698 1.00 0.00 O ATOM 975 CB ALA A 63 3.309 -0.997 -7.466 1.00 0.00 C ATOM 0 H ALA A 63 3.781 -2.891 -5.457 1.00 0.00 H new ATOM 0 HA ALA A 63 4.554 -2.532 -8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.699 -0.215 -8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.402 -1.415 -7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.078 -0.573 -6.489 1.00 0.00 H new ATOM 981 N ASN A 64 6.244 -0.596 -7.527 1.00 0.00 N ATOM 982 CA ASN A 64 7.497 0.033 -7.126 1.00 0.00 C ATOM 983 C ASN A 64 7.421 1.549 -7.288 1.00 0.00 C ATOM 984 O ASN A 64 7.342 2.061 -8.404 1.00 0.00 O ATOM 985 CB ASN A 64 8.659 -0.521 -7.953 1.00 0.00 C ATOM 986 CG ASN A 64 8.450 -0.330 -9.443 1.00 0.00 C ATOM 987 OD1 ASN A 64 8.703 0.747 -9.984 1.00 0.00 O ATOM 988 ND2 ASN A 64 7.986 -1.378 -10.115 1.00 0.00 N ATOM 0 H ASN A 64 5.874 -0.268 -8.419 1.00 0.00 H new ATOM 0 HA ASN A 64 7.668 -0.195 -6.074 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.583 -0.028 -7.652 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.780 -1.583 -7.739 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.826 -1.309 -11.120 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.790 -2.251 -9.626 1.00 0.00 H new ATOM 995 N ALA A 65 7.446 2.260 -6.165 1.00 0.00 N ATOM 996 CA ALA A 65 7.383 3.716 -6.182 1.00 0.00 C ATOM 997 C ALA A 65 7.965 4.306 -4.903 1.00 0.00 C ATOM 998 O ALA A 65 7.449 4.076 -3.809 1.00 0.00 O ATOM 999 CB ALA A 65 5.946 4.179 -6.373 1.00 0.00 C ATOM 0 H ALA A 65 7.509 1.851 -5.233 1.00 0.00 H new ATOM 0 HA ALA A 65 7.983 4.071 -7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.913 5.268 -6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.563 3.795 -7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.332 3.806 -5.554 1.00 0.00 H new ATOM 1005 N THR A 66 9.045 5.068 -5.046 1.00 0.00 N ATOM 1006 CA THR A 66 9.700 5.689 -3.902 1.00 0.00 C ATOM 1007 C THR A 66 8.992 6.977 -3.496 1.00 0.00 C ATOM 1008 O THR A 66 9.236 8.040 -4.070 1.00 0.00 O ATOM 1009 CB THR A 66 11.178 6.001 -4.201 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.272 7.093 -5.123 1.00 0.00 O ATOM 1011 CG2 THR A 66 11.883 4.782 -4.777 1.00 0.00 C ATOM 0 H THR A 66 9.485 5.270 -5.944 1.00 0.00 H new ATOM 0 HA THR A 66 9.647 4.974 -3.081 1.00 0.00 H new ATOM 0 HB THR A 66 11.665 6.274 -3.265 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.885 7.897 -4.718 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.926 5.027 -4.980 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.836 3.962 -4.060 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.393 4.483 -5.704 1.00 0.00 H new ATOM 1019 N THR A 67 8.114 6.878 -2.503 1.00 0.00 N ATOM 1020 CA THR A 67 7.371 8.035 -2.021 1.00 0.00 C ATOM 1021 C THR A 67 6.534 7.680 -0.798 1.00 0.00 C ATOM 1022 O THR A 67 6.412 6.509 -0.434 1.00 0.00 O ATOM 1023 CB THR A 67 6.447 8.604 -3.114 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.366 9.327 -2.514 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.894 7.490 -3.989 1.00 0.00 C ATOM 0 H THR A 67 7.900 6.007 -2.017 1.00 0.00 H new ATOM 0 HA THR A 67 8.106 8.792 -1.747 1.00 0.00 H new ATOM 0 HB THR A 67 7.033 9.278 -3.739 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.784 9.687 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.244 7.916 -4.753 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.718 6.960 -4.467 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.323 6.794 -3.374 1.00 0.00 H new ATOM 1033 N LEU A 68 5.957 8.697 -0.166 1.00 0.00 N ATOM 1034 CA LEU A 68 5.129 8.492 1.017 1.00 0.00 C ATOM 1035 C LEU A 68 3.670 8.275 0.630 1.00 0.00 C ATOM 1036 O LEU A 68 2.773 8.388 1.465 1.00 0.00 O ATOM 1037 CB LEU A 68 5.247 9.691 1.960 1.00 0.00 C ATOM 1038 CG LEU A 68 6.370 9.624 2.995 1.00 0.00 C ATOM 1039 CD1 LEU A 68 6.621 10.997 3.600 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.035 8.613 4.082 1.00 0.00 C ATOM 0 H LEU A 68 6.048 9.671 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 68 5.485 7.598 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.388 10.589 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.300 9.807 2.488 1.00 0.00 H new ATOM 0 HG LEU A 68 7.281 9.299 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.424 10.930 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.907 11.695 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.713 11.352 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.846 8.579 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.112 8.908 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.907 7.627 3.635 1.00 0.00 H new ATOM 1052 N SER A 69 3.441 7.962 -0.641 1.00 0.00 N ATOM 1053 CA SER A 69 2.090 7.731 -1.139 1.00 0.00 C ATOM 1054 C SER A 69 2.111 6.823 -2.366 1.00 0.00 C ATOM 1055 O SER A 69 3.171 6.370 -2.798 1.00 0.00 O ATOM 1056 CB SER A 69 1.417 9.060 -1.486 1.00 0.00 C ATOM 1057 OG SER A 69 2.346 9.970 -2.049 1.00 0.00 O ATOM 0 H SER A 69 4.173 7.863 -1.344 1.00 0.00 H new ATOM 0 HA SER A 69 1.519 7.237 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.602 8.886 -2.189 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.977 9.494 -0.588 1.00 0.00 H new ATOM 0 HG SER A 69 1.891 10.811 -2.264 1.00 0.00 H new ATOM 1063 N TYR A 70 0.933 6.562 -2.921 1.00 0.00 N ATOM 1064 CA TYR A 70 0.815 5.707 -4.096 1.00 0.00 C ATOM 1065 C TYR A 70 -0.615 5.708 -4.628 1.00 0.00 C ATOM 1066 O TYR A 70 -1.574 5.562 -3.868 1.00 0.00 O ATOM 1067 CB TYR A 70 1.244 4.278 -3.758 1.00 0.00 C ATOM 1068 CG TYR A 70 0.942 3.280 -4.853 1.00 0.00 C ATOM 1069 CD1 TYR A 70 1.153 3.600 -6.189 1.00 0.00 C ATOM 1070 CD2 TYR A 70 0.447 2.017 -4.552 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.878 2.691 -7.192 1.00 0.00 C ATOM 1072 CE2 TYR A 70 0.170 1.102 -5.549 1.00 0.00 C ATOM 1073 CZ TYR A 70 0.387 1.444 -6.868 1.00 0.00 C ATOM 1074 OH TYR A 70 0.113 0.536 -7.865 1.00 0.00 O ATOM 0 H TYR A 70 0.046 6.930 -2.576 1.00 0.00 H new ATOM 0 HA TYR A 70 1.472 6.103 -4.870 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.315 4.268 -3.554 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.742 3.964 -2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.538 4.575 -6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.276 1.746 -3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.047 2.956 -8.225 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.214 0.124 -5.298 1.00 0.00 H new ATOM 0 HH TYR A 70 0.204 -0.374 -7.513 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.751 5.872 -5.940 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.063 5.891 -6.577 1.00 0.00 C ATOM 1086 C LEU A 71 -2.296 4.617 -7.382 1.00 0.00 C ATOM 1087 O LEU A 71 -1.727 4.437 -8.458 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.192 7.114 -7.487 1.00 0.00 C ATOM 1089 CG LEU A 71 -3.417 7.144 -8.401 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -4.696 7.055 -7.583 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -3.414 8.403 -9.256 1.00 0.00 C ATOM 0 H LEU A 71 0.031 5.994 -6.583 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.819 5.947 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.208 8.007 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.298 7.176 -8.108 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.374 6.279 -9.063 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.557 7.078 -8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.701 6.124 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.748 7.899 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.293 8.407 -9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.433 9.281 -8.611 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.514 8.423 -9.870 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.139 3.735 -6.854 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.451 2.479 -7.525 1.00 0.00 C ATOM 1105 C VAL A 72 -4.529 2.675 -8.584 1.00 0.00 C ATOM 1106 O VAL A 72 -5.521 3.369 -8.357 1.00 0.00 O ATOM 1107 CB VAL A 72 -3.920 1.409 -6.521 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -3.984 0.043 -7.188 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -3.003 1.377 -5.309 1.00 0.00 C ATOM 0 H VAL A 72 -3.618 3.867 -5.963 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.533 2.139 -8.005 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.923 1.669 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.317 -0.700 -6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.686 0.078 -8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.995 -0.228 -7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.350 0.615 -4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.987 1.142 -5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.014 2.351 -4.819 1.00 0.00 H new ATOM 1119 N THR A 73 -4.330 2.057 -9.745 1.00 0.00 N ATOM 1120 CA THR A 73 -5.285 2.164 -10.841 1.00 0.00 C ATOM 1121 C THR A 73 -5.447 0.829 -11.560 1.00 0.00 C ATOM 1122 O THR A 73 -4.611 -0.064 -11.428 1.00 0.00 O ATOM 1123 CB THR A 73 -4.853 3.234 -11.860 1.00 0.00 C ATOM 1124 OG1 THR A 73 -3.616 2.854 -12.475 1.00 0.00 O ATOM 1125 CG2 THR A 73 -4.696 4.590 -11.188 1.00 0.00 C ATOM 0 H THR A 73 -3.516 1.477 -9.950 1.00 0.00 H new ATOM 0 HA THR A 73 -6.239 2.456 -10.402 1.00 0.00 H new ATOM 0 HB THR A 73 -5.628 3.312 -12.622 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.349 3.539 -13.123 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.390 5.330 -11.928 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.647 4.890 -10.747 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.938 4.524 -10.407 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.530 0.700 -12.321 1.00 0.00 N ATOM 1134 CA GLY A 74 -6.781 -0.529 -13.051 1.00 0.00 C ATOM 1135 C GLY A 74 -7.431 -1.592 -12.188 1.00 0.00 C ATOM 1136 O GLY A 74 -7.402 -2.777 -12.523 1.00 0.00 O ATOM 0 H GLY A 74 -7.237 1.424 -12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.423 -0.316 -13.905 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.840 -0.912 -13.447 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.018 -1.170 -11.073 1.00 0.00 N ATOM 1141 CA LEU A 75 -8.677 -2.096 -10.158 1.00 0.00 C ATOM 1142 C LEU A 75 -10.083 -2.432 -10.643 1.00 0.00 C ATOM 1143 O LEU A 75 -10.511 -1.978 -11.704 1.00 0.00 O ATOM 1144 CB LEU A 75 -8.739 -1.496 -8.752 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.402 -1.067 -8.146 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -7.600 0.100 -7.191 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -6.741 -2.237 -7.432 1.00 0.00 C ATOM 0 H LEU A 75 -8.051 -0.193 -10.781 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.094 -3.016 -10.128 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.399 -0.629 -8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.199 -2.227 -8.087 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.745 -0.742 -8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.638 0.392 -6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.030 0.943 -7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.273 -0.198 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.791 -1.914 -7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.393 -2.592 -6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.565 -3.044 -8.143 1.00 0.00 H new ATOM 1159 N LYS A 76 -10.799 -3.228 -9.857 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.160 -3.623 -10.203 1.00 0.00 C ATOM 1161 C LYS A 76 -13.176 -2.906 -9.319 1.00 0.00 C ATOM 1162 O LYS A 76 -12.948 -2.674 -8.132 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.325 -5.138 -10.061 1.00 0.00 C ATOM 1164 CG LYS A 76 -11.777 -5.923 -11.240 1.00 0.00 C ATOM 1165 CD LYS A 76 -12.513 -7.239 -11.425 1.00 0.00 C ATOM 1166 CE LYS A 76 -12.091 -7.939 -12.708 1.00 0.00 C ATOM 1167 NZ LYS A 76 -10.692 -8.444 -12.630 1.00 0.00 N ATOM 0 H LYS A 76 -10.460 -3.613 -8.975 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.342 -3.339 -11.240 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.822 -5.466 -9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.383 -5.370 -9.941 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.864 -5.326 -12.148 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.715 -6.117 -11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.317 -7.890 -10.573 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.587 -7.056 -11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.767 -8.771 -12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.181 -7.247 -13.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.442 -8.914 -13.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.044 -7.647 -12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.611 -9.123 -11.847 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.325 -2.547 -9.910 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.400 -1.853 -9.194 1.00 0.00 C ATOM 1183 C PRO A 77 -16.091 -2.751 -8.173 1.00 0.00 C ATOM 1184 O PRO A 77 -16.113 -3.972 -8.321 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.374 -1.462 -10.309 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.129 -2.456 -11.391 1.00 0.00 C ATOM 1187 CD PRO A 77 -14.665 -2.792 -11.322 1.00 0.00 C ATOM 0 HA PRO A 77 -15.026 -1.006 -8.619 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.407 -1.499 -9.963 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.191 -0.445 -10.656 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -16.741 -3.347 -11.248 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.389 -2.044 -12.366 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.476 -3.827 -11.607 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.077 -2.165 -11.992 1.00 0.00 H new ATOM 1195 N ASN A 78 -16.655 -2.137 -7.138 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.347 -2.882 -6.092 1.00 0.00 C ATOM 1197 C ASN A 78 -16.644 -4.207 -5.812 1.00 0.00 C ATOM 1198 O ASN A 78 -17.261 -5.271 -5.854 1.00 0.00 O ATOM 1199 CB ASN A 78 -18.800 -3.138 -6.496 1.00 0.00 C ATOM 1200 CG ASN A 78 -18.921 -3.679 -7.908 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -19.253 -2.946 -8.839 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -18.651 -4.969 -8.072 1.00 0.00 N ATOM 0 H ASN A 78 -16.647 -1.126 -7.001 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.330 -2.283 -5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.249 -3.846 -5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.366 -2.210 -6.416 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -18.715 -5.390 -8.999 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -18.379 -5.539 -7.271 1.00 0.00 H new ATOM 1209 N THR A 79 -15.348 -4.134 -5.526 1.00 0.00 N ATOM 1210 CA THR A 79 -14.560 -5.326 -5.239 1.00 0.00 C ATOM 1211 C THR A 79 -13.632 -5.100 -4.052 1.00 0.00 C ATOM 1212 O THR A 79 -12.976 -4.062 -3.952 1.00 0.00 O ATOM 1213 CB THR A 79 -13.721 -5.752 -6.459 1.00 0.00 C ATOM 1214 OG1 THR A 79 -14.577 -6.004 -7.579 1.00 0.00 O ATOM 1215 CG2 THR A 79 -12.905 -6.998 -6.147 1.00 0.00 C ATOM 0 H THR A 79 -14.822 -3.261 -5.487 1.00 0.00 H new ATOM 0 HA THR A 79 -15.266 -6.120 -4.997 1.00 0.00 H new ATOM 0 HB THR A 79 -13.036 -4.940 -6.702 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.882 -5.152 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.321 -7.279 -7.023 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.233 -6.794 -5.314 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.576 -7.815 -5.880 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.579 -6.077 -3.153 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.729 -5.984 -1.971 1.00 0.00 C ATOM 1225 C LEU A 80 -11.260 -6.156 -2.342 1.00 0.00 C ATOM 1226 O LEU A 80 -10.874 -7.161 -2.940 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.135 -7.042 -0.943 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.667 -6.797 0.492 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -11.225 -6.315 0.508 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -13.575 -5.792 1.185 1.00 0.00 C ATOM 0 H LEU A 80 -14.115 -6.943 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.861 -4.993 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.222 -7.120 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.747 -8.006 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.719 -7.740 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.909 -6.146 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.584 -7.069 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.146 -5.384 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.227 -5.630 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.555 -4.848 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.594 -6.177 1.206 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.445 -5.171 -1.982 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.018 -5.214 -2.277 1.00 0.00 C ATOM 1244 C TYR A 81 -8.194 -4.906 -1.030 1.00 0.00 C ATOM 1245 O TYR A 81 -8.655 -4.212 -0.125 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.675 -4.218 -3.386 1.00 0.00 C ATOM 1247 CG TYR A 81 -8.785 -4.799 -4.778 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -7.713 -5.463 -5.361 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -9.961 -4.685 -5.509 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -7.808 -5.996 -6.632 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -10.066 -5.215 -6.780 1.00 0.00 C ATOM 1252 CZ TYR A 81 -8.987 -5.870 -7.337 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.087 -6.399 -8.604 1.00 0.00 O ATOM 0 H TYR A 81 -10.748 -4.333 -1.486 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.773 -6.221 -2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.339 -3.357 -3.307 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.659 -3.853 -3.233 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.789 -5.564 -4.811 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -10.808 -4.173 -5.076 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.964 -6.508 -7.071 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.987 -5.117 -7.335 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.015 -6.663 -8.776 1.00 0.00 H new ATOM 1263 N GLU A 82 -6.973 -5.429 -0.992 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.084 -5.211 0.144 1.00 0.00 C ATOM 1265 C GLU A 82 -4.988 -4.210 -0.208 1.00 0.00 C ATOM 1266 O GLU A 82 -4.670 -4.006 -1.380 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.458 -6.533 0.591 1.00 0.00 C ATOM 1268 CG GLU A 82 -6.327 -7.324 1.554 1.00 0.00 C ATOM 1269 CD GLU A 82 -7.549 -7.921 0.883 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -7.456 -8.270 -0.313 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -8.596 -8.039 1.552 1.00 0.00 O ATOM 0 H GLU A 82 -6.577 -6.006 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.676 -4.803 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.255 -7.145 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.498 -6.329 1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.735 -8.124 1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.646 -6.673 2.368 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.414 -3.586 0.816 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.354 -2.605 0.616 1.00 0.00 C ATOM 1280 C PHE A 83 -2.354 -2.641 1.769 1.00 0.00 C ATOM 1281 O PHE A 83 -2.739 -2.649 2.938 1.00 0.00 O ATOM 1282 CB PHE A 83 -3.948 -1.201 0.486 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.966 -1.080 -0.612 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.662 -1.479 -1.903 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.227 -0.568 -0.352 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -5.597 -1.369 -2.915 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -7.166 -0.455 -1.360 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.851 -0.857 -2.643 1.00 0.00 C ATOM 0 H PHE A 83 -4.665 -3.742 1.792 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.829 -2.857 -0.305 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.411 -0.922 1.432 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.142 -0.490 0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.683 -1.881 -2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.479 -0.254 0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.347 -1.683 -3.918 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.145 -0.053 -1.144 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.583 -0.771 -3.432 1.00 0.00 H new ATOM 1298 N SER A 84 -1.069 -2.665 1.429 1.00 0.00 N ATOM 1299 CA SER A 84 -0.014 -2.705 2.434 1.00 0.00 C ATOM 1300 C SER A 84 1.250 -2.020 1.923 1.00 0.00 C ATOM 1301 O SER A 84 1.753 -2.343 0.847 1.00 0.00 O ATOM 1302 CB SER A 84 0.298 -4.153 2.820 1.00 0.00 C ATOM 1303 OG SER A 84 -0.878 -4.840 3.212 1.00 0.00 O ATOM 0 H SER A 84 -0.734 -2.657 0.466 1.00 0.00 H new ATOM 0 HA SER A 84 -0.366 -2.169 3.315 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.759 -4.667 1.976 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.021 -4.168 3.636 1.00 0.00 H new ATOM 0 HG SER A 84 -0.653 -5.763 3.452 1.00 0.00 H new ATOM 1309 N VAL A 85 1.758 -1.071 2.703 1.00 0.00 N ATOM 1310 CA VAL A 85 2.963 -0.340 2.332 1.00 0.00 C ATOM 1311 C VAL A 85 4.127 -0.696 3.250 1.00 0.00 C ATOM 1312 O VAL A 85 4.040 -0.542 4.467 1.00 0.00 O ATOM 1313 CB VAL A 85 2.733 1.183 2.380 1.00 0.00 C ATOM 1314 CG1 VAL A 85 3.847 1.914 1.647 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.375 1.535 1.790 1.00 0.00 C ATOM 0 H VAL A 85 1.353 -0.791 3.596 1.00 0.00 H new ATOM 0 HA VAL A 85 3.208 -0.631 1.311 1.00 0.00 H new ATOM 0 HB VAL A 85 2.745 1.503 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.668 2.988 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.803 1.686 2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.869 1.593 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.229 2.614 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.332 1.203 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.590 1.040 2.362 1.00 0.00 H new ATOM 1325 N MET A 86 5.217 -1.173 2.657 1.00 0.00 N ATOM 1326 CA MET A 86 6.400 -1.549 3.422 1.00 0.00 C ATOM 1327 C MET A 86 7.636 -0.823 2.903 1.00 0.00 C ATOM 1328 O MET A 86 7.647 -0.318 1.780 1.00 0.00 O ATOM 1329 CB MET A 86 6.617 -3.062 3.354 1.00 0.00 C ATOM 1330 CG MET A 86 6.637 -3.610 1.936 1.00 0.00 C ATOM 1331 SD MET A 86 7.174 -5.330 1.864 1.00 0.00 S ATOM 1332 CE MET A 86 8.760 -5.224 2.690 1.00 0.00 C ATOM 0 H MET A 86 5.305 -1.308 1.650 1.00 0.00 H new ATOM 0 HA MET A 86 6.239 -1.258 4.460 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.560 -3.308 3.843 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.827 -3.560 3.916 1.00 0.00 H new ATOM 0 HG2 MET A 86 5.640 -3.526 1.504 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.302 -3.000 1.324 1.00 0.00 H new ATOM 0 HE1 MET A 86 9.514 -5.744 2.099 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.044 -4.177 2.800 1.00 0.00 H new ATOM 0 HE3 MET A 86 8.689 -5.686 3.675 1.00 0.00 H new ATOM 1342 N VAL A 87 8.678 -0.774 3.727 1.00 0.00 N ATOM 1343 CA VAL A 87 9.920 -0.110 3.351 1.00 0.00 C ATOM 1344 C VAL A 87 11.071 -1.106 3.262 1.00 0.00 C ATOM 1345 O VAL A 87 11.215 -1.984 4.113 1.00 0.00 O ATOM 1346 CB VAL A 87 10.291 0.997 4.356 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.394 0.429 5.763 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.593 1.672 3.948 1.00 0.00 C ATOM 0 H VAL A 87 8.686 -1.187 4.660 1.00 0.00 H new ATOM 0 HA VAL A 87 9.755 0.339 2.371 1.00 0.00 H new ATOM 0 HB VAL A 87 9.501 1.748 4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.657 1.226 6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.436 -0.004 6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.163 -0.343 5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.840 2.451 4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.394 0.933 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.478 2.116 2.959 1.00 0.00 H new ATOM 1358 N THR A 88 11.890 -0.964 2.224 1.00 0.00 N ATOM 1359 CA THR A 88 13.028 -1.852 2.022 1.00 0.00 C ATOM 1360 C THR A 88 14.278 -1.066 1.644 1.00 0.00 C ATOM 1361 O THR A 88 14.219 -0.131 0.845 1.00 0.00 O ATOM 1362 CB THR A 88 12.740 -2.894 0.925 1.00 0.00 C ATOM 1363 OG1 THR A 88 11.524 -3.592 1.219 1.00 0.00 O ATOM 1364 CG2 THR A 88 13.885 -3.888 0.808 1.00 0.00 C ATOM 0 H THR A 88 11.786 -0.242 1.511 1.00 0.00 H new ATOM 0 HA THR A 88 13.198 -2.368 2.967 1.00 0.00 H new ATOM 0 HB THR A 88 12.637 -2.369 -0.025 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.347 -4.252 0.516 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.658 -4.614 0.027 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.803 -3.357 0.555 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.015 -4.406 1.758 1.00 0.00 H new ATOM 1372 N LYS A 89 15.410 -1.450 2.223 1.00 0.00 N ATOM 1373 CA LYS A 89 16.677 -0.783 1.946 1.00 0.00 C ATOM 1374 C LYS A 89 17.654 -1.732 1.261 1.00 0.00 C ATOM 1375 O LYS A 89 18.868 -1.549 1.335 1.00 0.00 O ATOM 1376 CB LYS A 89 17.291 -0.251 3.243 1.00 0.00 C ATOM 1377 CG LYS A 89 17.693 -1.343 4.219 1.00 0.00 C ATOM 1378 CD LYS A 89 18.399 -0.772 5.437 1.00 0.00 C ATOM 1379 CE LYS A 89 17.408 -0.181 6.429 1.00 0.00 C ATOM 1380 NZ LYS A 89 18.027 0.889 7.259 1.00 0.00 N ATOM 0 H LYS A 89 15.476 -2.221 2.888 1.00 0.00 H new ATOM 0 HA LYS A 89 16.479 0.053 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 89 18.168 0.349 3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.575 0.413 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.807 -1.893 4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 89 18.348 -2.056 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.979 -1.556 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.104 -0.002 5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.553 0.226 5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.029 -0.970 7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.320 1.266 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.827 0.495 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.366 1.654 6.642 1.00 0.00 H new ATOM 1394 N GLY A 90 17.115 -2.748 0.593 1.00 0.00 N ATOM 1395 CA GLY A 90 17.954 -3.710 -0.097 1.00 0.00 C ATOM 1396 C GLY A 90 17.988 -5.055 0.601 1.00 0.00 C ATOM 1397 O GLY A 90 17.412 -6.029 0.116 1.00 0.00 O ATOM 0 H GLY A 90 16.113 -2.922 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.589 -3.842 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.968 -3.317 -0.171 1.00 0.00 H new ATOM 1401 N ARG A 91 18.667 -5.111 1.742 1.00 0.00 N ATOM 1402 CA ARG A 91 18.777 -6.348 2.507 1.00 0.00 C ATOM 1403 C ARG A 91 17.797 -6.353 3.676 1.00 0.00 C ATOM 1404 O ARG A 91 17.260 -7.398 4.044 1.00 0.00 O ATOM 1405 CB ARG A 91 20.205 -6.528 3.024 1.00 0.00 C ATOM 1406 CG ARG A 91 21.171 -7.054 1.975 1.00 0.00 C ATOM 1407 CD ARG A 91 20.911 -8.520 1.664 1.00 0.00 C ATOM 1408 NE ARG A 91 21.674 -8.977 0.506 1.00 0.00 N ATOM 1409 CZ ARG A 91 21.320 -10.014 -0.245 1.00 0.00 C ATOM 1410 NH1 ARG A 91 20.220 -10.698 0.040 1.00 0.00 N ATOM 1411 NH2 ARG A 91 22.067 -10.370 -1.283 1.00 0.00 N ATOM 0 H ARG A 91 19.149 -4.314 2.157 1.00 0.00 H new ATOM 0 HA ARG A 91 18.531 -7.178 1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 91 20.571 -5.571 3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 91 20.192 -7.215 3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.076 -6.465 1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 91 22.195 -6.932 2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 91 21.171 -9.126 2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 91 19.847 -8.668 1.479 1.00 0.00 H new ATOM 0 HE ARG A 91 22.526 -8.472 0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 91 19.644 -10.428 0.837 1.00 0.00 H new ATOM 0 HH12 ARG A 91 19.950 -11.494 -0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 91 22.914 -9.847 -1.505 1.00 0.00 H new ATOM 0 HH22 ARG A 91 21.794 -11.166 -1.859 1.00 0.00 H new ATOM 1425 N ARG A 92 17.569 -5.179 4.255 1.00 0.00 N ATOM 1426 CA ARG A 92 16.655 -5.048 5.384 1.00 0.00 C ATOM 1427 C ARG A 92 15.280 -4.577 4.918 1.00 0.00 C ATOM 1428 O ARG A 92 15.158 -3.899 3.898 1.00 0.00 O ATOM 1429 CB ARG A 92 17.219 -4.068 6.414 1.00 0.00 C ATOM 1430 CG ARG A 92 18.284 -4.676 7.313 1.00 0.00 C ATOM 1431 CD ARG A 92 17.667 -5.530 8.409 1.00 0.00 C ATOM 1432 NE ARG A 92 17.510 -6.922 7.995 1.00 0.00 N ATOM 1433 CZ ARG A 92 18.518 -7.784 7.919 1.00 0.00 C ATOM 1434 NH1 ARG A 92 19.749 -7.399 8.226 1.00 0.00 N ATOM 1435 NH2 ARG A 92 18.296 -9.034 7.534 1.00 0.00 N ATOM 0 H ARG A 92 18.004 -4.305 3.961 1.00 0.00 H new ATOM 0 HA ARG A 92 16.547 -6.029 5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.642 -3.210 5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.403 -3.695 7.033 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.962 -5.284 6.715 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.880 -3.881 7.762 1.00 0.00 H new ATOM 0 HD2 ARG A 92 18.294 -5.485 9.300 1.00 0.00 H new ATOM 0 HD3 ARG A 92 16.694 -5.121 8.683 1.00 0.00 H new ATOM 0 HE ARG A 92 16.576 -7.250 7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.924 -6.439 8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.521 -8.063 8.167 1.00 0.00 H new ATOM 0 HH21 ARG A 92 17.351 -9.334 7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 92 19.071 -9.695 7.476 1.00 0.00 H new ATOM 1449 N SER A 93 14.249 -4.942 5.673 1.00 0.00 N ATOM 1450 CA SER A 93 12.882 -4.561 5.336 1.00 0.00 C ATOM 1451 C SER A 93 11.965 -4.699 6.547 1.00 0.00 C ATOM 1452 O SER A 93 12.341 -5.289 7.560 1.00 0.00 O ATOM 1453 CB SER A 93 12.359 -5.423 4.185 1.00 0.00 C ATOM 1454 OG SER A 93 12.273 -6.785 4.566 1.00 0.00 O ATOM 0 H SER A 93 14.334 -5.501 6.522 1.00 0.00 H new ATOM 0 HA SER A 93 12.889 -3.516 5.025 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.377 -5.066 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.019 -5.324 3.323 1.00 0.00 H new ATOM 0 HG SER A 93 11.935 -7.314 3.814 1.00 0.00 H new ATOM 1460 N SER A 94 10.759 -4.151 6.434 1.00 0.00 N ATOM 1461 CA SER A 94 9.788 -4.209 7.521 1.00 0.00 C ATOM 1462 C SER A 94 8.540 -4.973 7.093 1.00 0.00 C ATOM 1463 O SER A 94 8.235 -5.074 5.904 1.00 0.00 O ATOM 1464 CB SER A 94 9.407 -2.796 7.968 1.00 0.00 C ATOM 1465 OG SER A 94 8.621 -2.145 6.985 1.00 0.00 O ATOM 0 H SER A 94 10.431 -3.662 5.601 1.00 0.00 H new ATOM 0 HA SER A 94 10.246 -4.736 8.358 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.855 -2.845 8.906 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.310 -2.216 8.159 1.00 0.00 H new ATOM 0 HG SER A 94 7.690 -2.441 7.062 1.00 0.00 H new ATOM 1471 N THR A 95 7.819 -5.512 8.072 1.00 0.00 N ATOM 1472 CA THR A 95 6.604 -6.269 7.799 1.00 0.00 C ATOM 1473 C THR A 95 5.571 -5.410 7.079 1.00 0.00 C ATOM 1474 O THR A 95 5.803 -4.229 6.822 1.00 0.00 O ATOM 1475 CB THR A 95 5.982 -6.821 9.096 1.00 0.00 C ATOM 1476 OG1 THR A 95 4.781 -7.540 8.796 1.00 0.00 O ATOM 1477 CG2 THR A 95 5.675 -5.693 10.070 1.00 0.00 C ATOM 0 H THR A 95 8.056 -5.438 9.061 1.00 0.00 H new ATOM 0 HA THR A 95 6.889 -7.103 7.158 1.00 0.00 H new ATOM 0 HB THR A 95 6.701 -7.496 9.560 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.393 -7.889 9.625 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.237 -6.106 10.978 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.596 -5.166 10.319 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.972 -4.998 9.611 1.00 0.00 H new ATOM 1485 N TRP A 96 4.431 -6.011 6.755 1.00 0.00 N ATOM 1486 CA TRP A 96 3.362 -5.299 6.065 1.00 0.00 C ATOM 1487 C TRP A 96 2.512 -4.505 7.050 1.00 0.00 C ATOM 1488 O TRP A 96 1.841 -5.078 7.908 1.00 0.00 O ATOM 1489 CB TRP A 96 2.483 -6.283 5.291 1.00 0.00 C ATOM 1490 CG TRP A 96 3.213 -6.993 4.191 1.00 0.00 C ATOM 1491 CD1 TRP A 96 3.676 -8.277 4.210 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.563 -6.457 2.910 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.294 -8.572 3.019 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.238 -7.472 2.204 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.372 -5.219 2.291 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 4.721 -7.285 0.912 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 3.852 -5.035 1.008 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.519 -6.063 0.330 1.00 0.00 C ATOM 0 H TRP A 96 4.224 -6.989 6.959 1.00 0.00 H new ATOM 0 HA TRP A 96 3.818 -4.601 5.363 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.078 -7.021 5.984 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.635 -5.746 4.867 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.572 -8.961 5.040 1.00 0.00 H new ATOM 0 HE1 TRP A 96 4.725 -9.465 2.780 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.859 -4.420 2.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.237 -8.076 0.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.710 -4.082 0.520 1.00 0.00 H new ATOM 0 HH2 TRP A 96 4.881 -5.888 -0.672 1.00 0.00 H new ATOM 1509 N SER A 97 2.544 -3.182 6.921 1.00 0.00 N ATOM 1510 CA SER A 97 1.778 -2.309 7.804 1.00 0.00 C ATOM 1511 C SER A 97 0.322 -2.757 7.880 1.00 0.00 C ATOM 1512 O SER A 97 -0.094 -3.677 7.177 1.00 0.00 O ATOM 1513 CB SER A 97 1.853 -0.862 7.314 1.00 0.00 C ATOM 1514 OG SER A 97 1.693 -0.790 5.908 1.00 0.00 O ATOM 0 H SER A 97 3.092 -2.691 6.214 1.00 0.00 H new ATOM 0 HA SER A 97 2.212 -2.370 8.802 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.079 -0.269 7.802 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.812 -0.429 7.597 1.00 0.00 H new ATOM 0 HG SER A 97 2.572 -0.702 5.483 1.00 0.00 H new ATOM 1520 N MET A 98 -0.448 -2.099 8.741 1.00 0.00 N ATOM 1521 CA MET A 98 -1.859 -2.428 8.909 1.00 0.00 C ATOM 1522 C MET A 98 -2.561 -2.523 7.558 1.00 0.00 C ATOM 1523 O MET A 98 -2.758 -1.517 6.877 1.00 0.00 O ATOM 1524 CB MET A 98 -2.549 -1.378 9.782 1.00 0.00 C ATOM 1525 CG MET A 98 -2.519 0.021 9.188 1.00 0.00 C ATOM 1526 SD MET A 98 -2.716 1.309 10.434 1.00 0.00 S ATOM 1527 CE MET A 98 -1.190 1.127 11.354 1.00 0.00 C ATOM 0 H MET A 98 -0.119 -1.336 9.332 1.00 0.00 H new ATOM 0 HA MET A 98 -1.923 -3.399 9.401 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.586 -1.674 9.941 1.00 0.00 H new ATOM 0 HB3 MET A 98 -2.069 -1.359 10.761 1.00 0.00 H new ATOM 0 HG2 MET A 98 -1.575 0.169 8.664 1.00 0.00 H new ATOM 0 HG3 MET A 98 -3.313 0.114 8.447 1.00 0.00 H new ATOM 0 HE1 MET A 98 -0.943 2.071 11.840 1.00 0.00 H new ATOM 0 HE2 MET A 98 -1.311 0.351 12.110 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.386 0.848 10.673 1.00 0.00 H new ATOM 1537 N THR A 99 -2.936 -3.740 7.175 1.00 0.00 N ATOM 1538 CA THR A 99 -3.614 -3.967 5.905 1.00 0.00 C ATOM 1539 C THR A 99 -4.937 -3.212 5.846 1.00 0.00 C ATOM 1540 O THR A 99 -5.913 -3.600 6.487 1.00 0.00 O ATOM 1541 CB THR A 99 -3.880 -5.466 5.670 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.696 -6.223 5.946 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.327 -5.718 4.238 1.00 0.00 C ATOM 0 H THR A 99 -2.781 -4.584 7.727 1.00 0.00 H new ATOM 0 HA THR A 99 -2.952 -3.596 5.122 1.00 0.00 H new ATOM 0 HB THR A 99 -4.677 -5.781 6.343 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.874 -7.175 5.796 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.509 -6.783 4.096 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.244 -5.164 4.040 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.548 -5.388 3.550 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.962 -2.132 5.072 1.00 0.00 N ATOM 1552 CA ALA A 100 -6.166 -1.324 4.927 1.00 0.00 C ATOM 1553 C ALA A 100 -7.044 -1.845 3.793 1.00 0.00 C ATOM 1554 O ALA A 100 -6.572 -2.054 2.675 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.799 0.133 4.686 1.00 0.00 C ATOM 0 H ALA A 100 -4.162 -1.797 4.536 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.735 -1.395 5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.708 0.724 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.220 0.507 5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.206 0.213 3.775 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.323 -2.054 4.089 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.266 -2.551 3.094 1.00 0.00 C ATOM 1563 C HIS A 101 -10.010 -1.398 2.427 1.00 0.00 C ATOM 1564 O HIS A 101 -10.660 -0.595 3.096 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.264 -3.511 3.742 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.672 -4.839 4.101 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.593 -5.302 5.397 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -9.130 -5.805 3.324 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -9.026 -6.495 5.402 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.736 -6.824 4.156 1.00 0.00 N ATOM 0 H HIS A 101 -8.730 -1.887 5.009 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.702 -3.086 2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.669 -3.048 4.642 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -11.100 -3.668 3.060 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -9.026 -5.779 2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.832 -7.099 6.276 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -8.292 -7.693 3.860 1.00 0.00 H new ATOM 1579 N GLY A 102 -9.910 -1.321 1.103 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.578 -0.263 0.369 1.00 0.00 C ATOM 1581 C GLY A 102 -11.522 -0.798 -0.690 1.00 0.00 C ATOM 1582 O GLY A 102 -11.094 -1.449 -1.643 1.00 0.00 O ATOM 0 H GLY A 102 -9.378 -1.973 0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.136 0.362 1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.831 0.375 -0.103 1.00 0.00 H new ATOM 1586 N THR A 103 -12.812 -0.525 -0.522 1.00 0.00 N ATOM 1587 CA THR A 103 -13.820 -0.986 -1.469 1.00 0.00 C ATOM 1588 C THR A 103 -14.190 0.114 -2.457 1.00 0.00 C ATOM 1589 O THR A 103 -14.835 1.098 -2.094 1.00 0.00 O ATOM 1590 CB THR A 103 -15.094 -1.461 -0.746 1.00 0.00 C ATOM 1591 OG1 THR A 103 -14.758 -2.426 0.257 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.081 -2.068 -1.731 1.00 0.00 C ATOM 0 H THR A 103 -13.183 0.013 0.261 1.00 0.00 H new ATOM 0 HA THR A 103 -13.384 -1.825 -2.011 1.00 0.00 H new ATOM 0 HB THR A 103 -15.561 -0.596 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.574 -2.721 0.713 1.00 0.00 H new ATOM 0 HG21 THR A 103 -16.973 -2.396 -1.197 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.358 -1.321 -2.475 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.621 -2.922 -2.228 1.00 0.00 H new ATOM 1600 N THR A 104 -13.777 -0.058 -3.709 1.00 0.00 N ATOM 1601 CA THR A 104 -14.065 0.921 -4.750 1.00 0.00 C ATOM 1602 C THR A 104 -15.567 1.088 -4.948 1.00 0.00 C ATOM 1603 O THR A 104 -16.366 0.360 -4.358 1.00 0.00 O ATOM 1604 CB THR A 104 -13.424 0.519 -6.092 1.00 0.00 C ATOM 1605 OG1 THR A 104 -13.839 -0.802 -6.457 1.00 0.00 O ATOM 1606 CG2 THR A 104 -11.906 0.573 -6.004 1.00 0.00 C ATOM 0 H THR A 104 -13.242 -0.866 -4.027 1.00 0.00 H new ATOM 0 HA THR A 104 -13.637 1.868 -4.420 1.00 0.00 H new ATOM 0 HB THR A 104 -13.754 1.226 -6.853 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.224 -1.164 -7.129 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.475 0.285 -6.963 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.592 1.587 -5.755 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.562 -0.114 -5.231 1.00 0.00 H new ATOM 1614 N PHE A 105 -15.947 2.050 -5.782 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.354 2.312 -6.057 1.00 0.00 C ATOM 1616 C PHE A 105 -17.878 1.381 -7.146 1.00 0.00 C ATOM 1617 O PHE A 105 -17.103 0.782 -7.891 1.00 0.00 O ATOM 1618 CB PHE A 105 -17.550 3.770 -6.480 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.504 4.738 -5.332 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.345 4.582 -4.242 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.619 5.805 -5.344 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.304 5.470 -3.184 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.574 6.696 -4.288 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.419 6.530 -3.208 1.00 0.00 C ATOM 0 H PHE A 105 -15.299 2.661 -6.279 1.00 0.00 H new ATOM 0 HA PHE A 105 -17.918 2.127 -5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -16.778 4.038 -7.202 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.509 3.867 -6.988 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.041 3.756 -4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -15.958 5.942 -6.187 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.963 5.335 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -15.878 7.522 -4.307 1.00 0.00 H new ATOM 0 HZ PHE A 105 -17.388 7.228 -2.384 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.200 1.264 -7.231 1.00 0.00 N ATOM 1635 CA GLU A 106 -19.827 0.404 -8.228 1.00 0.00 C ATOM 1636 C GLU A 106 -19.733 1.025 -9.619 1.00 0.00 C ATOM 1637 O GLU A 106 -19.962 2.223 -9.793 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.293 0.154 -7.867 1.00 0.00 C ATOM 1639 CG GLU A 106 -22.148 1.410 -7.889 1.00 0.00 C ATOM 1640 CD GLU A 106 -23.626 1.112 -7.722 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -24.175 0.354 -8.549 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -24.233 1.637 -6.766 1.00 0.00 O ATOM 0 H GLU A 106 -19.856 1.753 -6.622 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.295 -0.547 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -21.711 -0.572 -8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -21.343 -0.292 -6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.824 2.080 -7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -21.991 1.936 -8.831 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.394 0.203 -10.605 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.269 0.670 -11.982 1.00 0.00 C ATOM 1651 C LEU A 107 -20.535 0.368 -12.777 1.00 0.00 C ATOM 1652 O LEU A 107 -21.189 1.276 -13.290 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.062 0.015 -12.655 1.00 0.00 C ATOM 1654 CG LEU A 107 -17.929 0.241 -14.162 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -17.831 1.726 -14.472 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -16.717 -0.501 -14.708 1.00 0.00 C ATOM 0 H LEU A 107 -19.201 -0.790 -10.477 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.125 1.750 -11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.157 0.383 -12.171 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.107 -1.058 -12.471 1.00 0.00 H new ATOM 0 HG LEU A 107 -18.821 -0.153 -14.649 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.737 1.867 -15.549 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.729 2.232 -14.117 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.957 2.145 -13.973 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.638 -0.329 -15.781 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.815 -0.138 -14.215 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -16.829 -1.569 -14.519 1.00 0.00 H new