USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 830 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 72 ASN : amide:sc= -0.0442 X(o=-0.9,f=-0.85) USER MOD Set 1.2: A 78 ASN : amide:sc= -0.852! C(o=-0.9!,f=-3.1!) USER MOD Set 2.1: A 19 SER OG : rot 160:sc= -0.0931 USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= -0.881 USER MOD Set 2.3: A 70 MET CE :methyl -143:sc= -0.969 (180deg=-0.566) USER MOD Single : A 11 GLN : amide:sc= -0.309 K(o=-0.31,f=-0.9) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0109 F(o=-0.65,f=-0.011) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.329 F(o=-1.1!,f=-0.33) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -148:sc= -3.78! (180deg=-8.22!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -160:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0405 K(o=-0.04,f=-0.79) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.16) USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0264) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00328 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 105:sc= 0.664 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= 0.26 (180deg=0.0755) USER MOD Single : A 62 TYR OH : rot 53:sc= 1.2 USER MOD Single : A 63 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0215) USER MOD Single : A 64 ASN : amide:sc= -0.592 X(o=-0.59,f=-0.59) USER MOD Single : A 65 LYS NZ :NH3+ -146:sc= -1.14 (180deg=-2.22!) USER MOD Single : A 68 SER OG : rot 95:sc= 0.267 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.56! C(o=-1.6!,f=-1.2!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -164:sc= -0.405 (180deg=-1.03) USER MOD Single : A 91 THR OG1 : rot -170:sc= -1.11 USER MOD Single : A 94 HIS :FLIP no HE2:sc= 0.0656 F(o=-0.71,f=0.066) USER MOD Single : A 98 MET CE :methyl -157:sc= -0.0608 (180deg=-0.446) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0572 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -9.337 15.662 0.821 1.00 0.00 N ATOM 78 CA ALA A 9 -8.077 14.935 0.721 1.00 0.00 C ATOM 79 C ALA A 9 -8.028 13.782 1.718 1.00 0.00 C ATOM 80 O ALA A 9 -7.975 12.615 1.330 1.00 0.00 O ATOM 81 CB ALA A 9 -6.904 15.878 0.942 1.00 0.00 C ATOM 0 HA ALA A 9 -8.007 14.516 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.970 15.321 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.922 16.664 0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.979 16.325 1.933 1.00 0.00 H new ATOM 87 N ASP A 10 -8.044 14.117 3.003 1.00 0.00 N ATOM 88 CA ASP A 10 -8.001 13.110 4.057 1.00 0.00 C ATOM 89 C ASP A 10 -8.923 11.940 3.728 1.00 0.00 C ATOM 90 O ASP A 10 -8.518 10.780 3.801 1.00 0.00 O ATOM 91 CB ASP A 10 -8.399 13.727 5.398 1.00 0.00 C ATOM 92 CG ASP A 10 -9.771 14.371 5.356 1.00 0.00 C ATOM 93 OD1 ASP A 10 -10.041 15.129 4.401 1.00 0.00 O ATOM 94 OD2 ASP A 10 -10.574 14.116 6.277 1.00 0.00 O ATOM 0 H ASP A 10 -8.086 15.079 3.340 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.979 12.736 4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.387 12.955 6.167 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.659 14.474 5.684 1.00 0.00 H new ATOM 99 N GLN A 11 -10.163 12.254 3.367 1.00 0.00 N ATOM 100 CA GLN A 11 -11.142 11.228 3.028 1.00 0.00 C ATOM 101 C GLN A 11 -10.644 10.358 1.879 1.00 0.00 C ATOM 102 O GLN A 11 -10.806 9.137 1.896 1.00 0.00 O ATOM 103 CB GLN A 11 -12.478 11.872 2.654 1.00 0.00 C ATOM 104 CG GLN A 11 -13.602 10.868 2.454 1.00 0.00 C ATOM 105 CD GLN A 11 -13.883 10.050 3.699 1.00 0.00 C ATOM 106 OE1 GLN A 11 -13.156 9.108 4.015 1.00 0.00 O ATOM 107 NE2 GLN A 11 -14.943 10.407 4.415 1.00 0.00 N ATOM 0 H GLN A 11 -10.513 13.210 3.302 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.284 10.594 3.903 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.765 12.575 3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.350 12.449 1.738 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.508 11.397 2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.344 10.198 1.634 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.518 11.194 4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -15.182 9.894 5.264 1.00 0.00 H new ATOM 116 N ILE A 12 -10.038 10.993 0.882 1.00 0.00 N ATOM 117 CA ILE A 12 -9.516 10.277 -0.275 1.00 0.00 C ATOM 118 C ILE A 12 -8.470 9.249 0.141 1.00 0.00 C ATOM 119 O ILE A 12 -8.602 8.060 -0.151 1.00 0.00 O ATOM 120 CB ILE A 12 -8.892 11.242 -1.301 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.931 12.261 -1.773 1.00 0.00 C ATOM 122 CG2 ILE A 12 -8.328 10.467 -2.482 1.00 0.00 C ATOM 123 CD1 ILE A 12 -9.329 13.457 -2.477 1.00 0.00 C ATOM 0 H ILE A 12 -9.896 12.003 0.852 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.361 9.766 -0.737 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.075 11.780 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.632 11.768 -2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.505 12.607 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.891 11.163 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.561 9.777 -2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.128 9.905 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.124 14.137 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.650 13.975 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.778 13.123 -3.356 1.00 0.00 H new ATOM 135 N ARG A 13 -7.431 9.715 0.827 1.00 0.00 N ATOM 136 CA ARG A 13 -6.361 8.836 1.284 1.00 0.00 C ATOM 137 C ARG A 13 -6.928 7.640 2.044 1.00 0.00 C ATOM 138 O ARG A 13 -6.621 6.491 1.729 1.00 0.00 O ATOM 139 CB ARG A 13 -5.387 9.605 2.177 1.00 0.00 C ATOM 140 CG ARG A 13 -4.686 10.753 1.467 1.00 0.00 C ATOM 141 CD ARG A 13 -3.609 11.375 2.342 1.00 0.00 C ATOM 142 NE ARG A 13 -4.154 11.897 3.593 1.00 0.00 N ATOM 143 CZ ARG A 13 -3.406 12.224 4.640 1.00 0.00 C ATOM 144 NH1 ARG A 13 -2.088 12.084 4.588 1.00 0.00 N ATOM 145 NH2 ARG A 13 -3.975 12.693 5.743 1.00 0.00 N ATOM 0 H ARG A 13 -7.308 10.696 1.078 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.827 8.469 0.408 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.929 9.998 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.637 8.914 2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.240 10.391 0.541 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.417 11.513 1.193 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.845 10.629 2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.119 12.181 1.796 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.164 12.017 3.666 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.646 11.724 3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.516 12.336 5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.988 12.803 5.787 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.399 12.944 6.547 1.00 0.00 H new ATOM 159 N GLN A 14 -7.756 7.920 3.045 1.00 0.00 N ATOM 160 CA GLN A 14 -8.364 6.867 3.850 1.00 0.00 C ATOM 161 C GLN A 14 -8.993 5.798 2.963 1.00 0.00 C ATOM 162 O GLN A 14 -8.731 4.607 3.129 1.00 0.00 O ATOM 163 CB GLN A 14 -9.421 7.457 4.785 1.00 0.00 C ATOM 164 CG GLN A 14 -10.179 6.410 5.585 1.00 0.00 C ATOM 165 CD GLN A 14 -9.368 5.861 6.743 1.00 0.00 C ATOM 166 OE1 GLN A 14 -8.374 5.037 6.432 1.00 0.00 O flip ATOM 167 NE2 GLN A 14 -9.633 6.173 7.904 1.00 0.00 N flip ATOM 0 H GLN A 14 -8.021 8.866 3.318 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.579 6.402 4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.938 8.150 5.474 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.132 8.037 4.196 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.101 6.848 5.967 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.465 5.591 4.925 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.406 6.810 8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.079 5.795 8.673 1.00 0.00 H new ATOM 176 N SER A 15 -9.824 6.232 2.020 1.00 0.00 N ATOM 177 CA SER A 15 -10.494 5.311 1.109 1.00 0.00 C ATOM 178 C SER A 15 -9.489 4.371 0.451 1.00 0.00 C ATOM 179 O SER A 15 -9.688 3.156 0.417 1.00 0.00 O ATOM 180 CB SER A 15 -11.260 6.089 0.037 1.00 0.00 C ATOM 181 OG SER A 15 -12.213 5.263 -0.609 1.00 0.00 O ATOM 0 H SER A 15 -10.049 7.215 1.867 1.00 0.00 H new ATOM 0 HA SER A 15 -11.199 4.714 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.763 6.942 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.560 6.486 -0.698 1.00 0.00 H new ATOM 0 HG SER A 15 -12.690 5.784 -1.288 1.00 0.00 H new ATOM 187 N VAL A 16 -8.408 4.942 -0.072 1.00 0.00 N ATOM 188 CA VAL A 16 -7.370 4.156 -0.728 1.00 0.00 C ATOM 189 C VAL A 16 -7.025 2.913 0.084 1.00 0.00 C ATOM 190 O VAL A 16 -6.983 1.803 -0.448 1.00 0.00 O ATOM 191 CB VAL A 16 -6.091 4.985 -0.945 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.004 4.134 -1.583 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.388 6.210 -1.796 1.00 0.00 C ATOM 0 H VAL A 16 -8.229 5.946 -0.054 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.767 3.854 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.730 5.324 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.108 4.737 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.772 3.291 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.352 3.762 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.473 6.784 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.774 5.895 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.131 6.830 -1.294 1.00 0.00 H new ATOM 203 N ARG A 17 -6.780 3.106 1.376 1.00 0.00 N ATOM 204 CA ARG A 17 -6.438 2.000 2.262 1.00 0.00 C ATOM 205 C ARG A 17 -7.485 0.893 2.179 1.00 0.00 C ATOM 206 O ARG A 17 -7.218 -0.190 1.657 1.00 0.00 O ATOM 207 CB ARG A 17 -6.317 2.494 3.705 1.00 0.00 C ATOM 208 CG ARG A 17 -5.331 3.638 3.876 1.00 0.00 C ATOM 209 CD ARG A 17 -5.039 3.908 5.344 1.00 0.00 C ATOM 210 NE ARG A 17 -4.115 5.024 5.523 1.00 0.00 N ATOM 211 CZ ARG A 17 -3.489 5.284 6.665 1.00 0.00 C ATOM 212 NH1 ARG A 17 -3.685 4.511 7.724 1.00 0.00 N ATOM 213 NH2 ARG A 17 -2.662 6.319 6.749 1.00 0.00 N ATOM 0 H ARG A 17 -6.812 4.018 1.832 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.478 1.594 1.942 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.298 2.816 4.053 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.010 1.663 4.340 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.402 3.400 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.733 4.539 3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.972 4.123 5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.618 3.012 5.800 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.941 5.638 4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.318 3.714 7.663 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.203 4.714 8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.507 6.915 5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.182 6.518 7.626 1.00 0.00 H new ATOM 227 N HIS A 18 -8.677 1.172 2.697 1.00 0.00 N ATOM 228 CA HIS A 18 -9.764 0.200 2.681 1.00 0.00 C ATOM 229 C HIS A 18 -9.810 -0.542 1.349 1.00 0.00 C ATOM 230 O HIS A 18 -9.737 -1.770 1.308 1.00 0.00 O ATOM 231 CB HIS A 18 -11.101 0.894 2.938 1.00 0.00 C ATOM 232 CG HIS A 18 -12.272 0.180 2.336 1.00 0.00 C ATOM 233 ND1 HIS A 18 -12.581 -1.137 2.297 1.00 0.00 N flip ATOM 234 CD2 HIS A 18 -13.292 0.832 1.675 1.00 0.00 C flip ATOM 235 CE1 HIS A 18 -13.771 -1.256 1.621 1.00 0.00 C flip ATOM 236 NE2 HIS A 18 -14.179 -0.054 1.257 1.00 0.00 N flip ATOM 0 H HIS A 18 -8.914 2.063 3.133 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.582 -0.525 3.474 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.254 0.983 4.014 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.058 1.907 2.537 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.356 1.899 1.523 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.289 -2.182 1.420 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -15.034 0.155 0.741 1.00 0.00 H new ATOM 245 N SER A 19 -9.932 0.212 0.261 1.00 0.00 N ATOM 246 CA SER A 19 -9.993 -0.374 -1.073 1.00 0.00 C ATOM 247 C SER A 19 -8.942 -1.468 -1.233 1.00 0.00 C ATOM 248 O SER A 19 -9.265 -2.616 -1.544 1.00 0.00 O ATOM 249 CB SER A 19 -9.788 0.705 -2.137 1.00 0.00 C ATOM 250 OG SER A 19 -10.401 0.338 -3.361 1.00 0.00 O ATOM 0 H SER A 19 -9.991 1.230 0.277 1.00 0.00 H new ATOM 0 HA SER A 19 -10.979 -0.819 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.205 1.649 -1.787 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.722 0.866 -2.295 1.00 0.00 H new ATOM 0 HG SER A 19 -10.542 1.138 -3.909 1.00 0.00 H new ATOM 256 N LEU A 20 -7.682 -1.105 -1.020 1.00 0.00 N ATOM 257 CA LEU A 20 -6.581 -2.055 -1.141 1.00 0.00 C ATOM 258 C LEU A 20 -6.863 -3.321 -0.337 1.00 0.00 C ATOM 259 O LEU A 20 -6.947 -4.416 -0.893 1.00 0.00 O ATOM 260 CB LEU A 20 -5.275 -1.416 -0.665 1.00 0.00 C ATOM 261 CG LEU A 20 -4.709 -0.307 -1.553 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.717 0.544 -0.776 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.051 -0.899 -2.791 1.00 0.00 C ATOM 0 H LEU A 20 -7.397 -0.160 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.483 -2.328 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.436 -1.009 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.523 -2.199 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.532 0.332 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.325 1.328 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.218 0.997 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.896 -0.082 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.654 -0.096 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.239 -1.561 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.789 -1.465 -3.359 1.00 0.00 H new ATOM 275 N LYS A 21 -7.011 -3.162 0.974 1.00 0.00 N ATOM 276 CA LYS A 21 -7.287 -4.290 1.855 1.00 0.00 C ATOM 277 C LYS A 21 -8.490 -5.086 1.359 1.00 0.00 C ATOM 278 O LYS A 21 -8.547 -6.306 1.516 1.00 0.00 O ATOM 279 CB LYS A 21 -7.540 -3.799 3.282 1.00 0.00 C ATOM 280 CG LYS A 21 -7.539 -4.911 4.317 1.00 0.00 C ATOM 281 CD LYS A 21 -7.662 -4.360 5.728 1.00 0.00 C ATOM 282 CE LYS A 21 -9.061 -3.829 5.999 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.142 -3.119 7.306 1.00 0.00 N ATOM 0 H LYS A 21 -6.944 -2.262 1.450 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.415 -4.944 1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.776 -3.067 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.500 -3.284 3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.365 -5.594 4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.619 -5.489 4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.423 -5.143 6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.934 -3.562 5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.353 -3.150 5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.771 -4.656 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.111 -2.772 7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.888 -3.774 8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.483 -2.314 7.305 1.00 0.00 H new ATOM 297 N ASP A 22 -9.448 -4.389 0.759 1.00 0.00 N ATOM 298 CA ASP A 22 -10.649 -5.031 0.237 1.00 0.00 C ATOM 299 C ASP A 22 -10.293 -6.073 -0.820 1.00 0.00 C ATOM 300 O ASP A 22 -10.793 -7.197 -0.790 1.00 0.00 O ATOM 301 CB ASP A 22 -11.595 -3.987 -0.358 1.00 0.00 C ATOM 302 CG ASP A 22 -13.033 -4.463 -0.396 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.746 -4.281 0.614 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.447 -5.018 -1.435 1.00 0.00 O ATOM 0 H ASP A 22 -9.417 -3.379 0.622 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.150 -5.534 1.064 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.534 -3.070 0.228 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.270 -3.741 -1.369 1.00 0.00 H new ATOM 309 N ILE A 23 -9.426 -5.690 -1.752 1.00 0.00 N ATOM 310 CA ILE A 23 -9.004 -6.591 -2.817 1.00 0.00 C ATOM 311 C ILE A 23 -8.138 -7.721 -2.270 1.00 0.00 C ATOM 312 O ILE A 23 -8.388 -8.896 -2.541 1.00 0.00 O ATOM 313 CB ILE A 23 -8.220 -5.841 -3.910 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.170 -5.002 -4.765 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.447 -6.825 -4.777 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.472 -4.224 -5.859 1.00 0.00 C ATOM 0 H ILE A 23 -9.003 -4.763 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.910 -7.010 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.507 -5.171 -3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.915 -5.658 -5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.706 -4.305 -4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.898 -6.280 -5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.746 -7.383 -4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.143 -7.517 -5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.208 -3.652 -6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.746 -3.543 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.959 -4.916 -6.527 1.00 0.00 H new ATOM 328 N LEU A 24 -7.120 -7.358 -1.498 1.00 0.00 N ATOM 329 CA LEU A 24 -6.217 -8.341 -0.910 1.00 0.00 C ATOM 330 C LEU A 24 -6.955 -9.236 0.079 1.00 0.00 C ATOM 331 O LEU A 24 -6.483 -10.318 0.426 1.00 0.00 O ATOM 332 CB LEU A 24 -5.052 -7.639 -0.210 1.00 0.00 C ATOM 333 CG LEU A 24 -4.211 -6.705 -1.079 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.477 -5.689 -0.217 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.226 -7.502 -1.921 1.00 0.00 C ATOM 0 H LEU A 24 -6.899 -6.390 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.826 -8.965 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.450 -7.064 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.395 -8.400 0.211 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.880 -6.166 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.884 -5.033 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.201 -5.095 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.820 -6.210 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.636 -6.820 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.563 -8.068 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.772 -8.189 -2.567 1.00 0.00 H new ATOM 347 N MET A 25 -8.119 -8.778 0.530 1.00 0.00 N ATOM 348 CA MET A 25 -8.925 -9.539 1.477 1.00 0.00 C ATOM 349 C MET A 25 -9.660 -10.676 0.775 1.00 0.00 C ATOM 350 O MET A 25 -9.695 -11.804 1.266 1.00 0.00 O ATOM 351 CB MET A 25 -9.929 -8.621 2.177 1.00 0.00 C ATOM 352 CG MET A 25 -9.378 -7.959 3.429 1.00 0.00 C ATOM 353 SD MET A 25 -9.535 -9.001 4.893 1.00 0.00 S ATOM 354 CE MET A 25 -7.869 -9.644 5.031 1.00 0.00 C ATOM 0 H MET A 25 -8.525 -7.884 0.255 1.00 0.00 H new ATOM 0 HA MET A 25 -8.256 -9.969 2.222 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.250 -7.848 1.479 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.814 -9.199 2.441 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.327 -7.714 3.273 1.00 0.00 H new ATOM 0 HG3 MET A 25 -9.903 -7.019 3.599 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.901 -10.649 5.451 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.409 -9.678 4.043 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.282 -8.997 5.683 1.00 0.00 H new ATOM 364 N LYS A 26 -10.248 -10.371 -0.377 1.00 0.00 N ATOM 365 CA LYS A 26 -10.983 -11.367 -1.148 1.00 0.00 C ATOM 366 C LYS A 26 -10.036 -12.191 -2.016 1.00 0.00 C ATOM 367 O LYS A 26 -10.362 -13.307 -2.420 1.00 0.00 O ATOM 368 CB LYS A 26 -12.035 -10.688 -2.027 1.00 0.00 C ATOM 369 CG LYS A 26 -11.447 -9.924 -3.201 1.00 0.00 C ATOM 370 CD LYS A 26 -11.319 -10.806 -4.432 1.00 0.00 C ATOM 371 CE LYS A 26 -12.646 -10.941 -5.161 1.00 0.00 C ATOM 372 NZ LYS A 26 -12.667 -12.129 -6.059 1.00 0.00 N ATOM 0 H LYS A 26 -10.230 -9.442 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.481 -12.036 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.723 -11.444 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.620 -10.002 -1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.079 -9.066 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.466 -9.534 -2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.573 -10.385 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.962 -11.793 -4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.454 -11.021 -4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.832 -10.040 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.588 -12.186 -6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.913 -12.041 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.515 -12.991 -5.498 1.00 0.00 H new ATOM 386 N ARG A 27 -8.862 -11.633 -2.296 1.00 0.00 N ATOM 387 CA ARG A 27 -7.868 -12.317 -3.115 1.00 0.00 C ATOM 388 C ARG A 27 -7.120 -13.366 -2.299 1.00 0.00 C ATOM 389 O ARG A 27 -6.611 -14.347 -2.845 1.00 0.00 O ATOM 390 CB ARG A 27 -6.878 -11.308 -3.700 1.00 0.00 C ATOM 391 CG ARG A 27 -7.476 -10.426 -4.783 1.00 0.00 C ATOM 392 CD ARG A 27 -7.654 -11.188 -6.087 1.00 0.00 C ATOM 393 NE ARG A 27 -6.475 -11.093 -6.943 1.00 0.00 N ATOM 394 CZ ARG A 27 -6.448 -11.504 -8.206 1.00 0.00 C ATOM 395 NH1 ARG A 27 -7.530 -12.035 -8.757 1.00 0.00 N ATOM 396 NH2 ARG A 27 -5.336 -11.385 -8.920 1.00 0.00 N ATOM 0 H ARG A 27 -8.576 -10.710 -1.968 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.388 -12.820 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.499 -10.676 -2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.024 -11.846 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.440 -10.042 -4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.830 -9.564 -4.949 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.860 -12.236 -5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.521 -10.797 -6.620 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.625 -10.689 -6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.387 -12.129 -8.211 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.506 -12.350 -9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.501 -10.978 -8.499 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.316 -11.701 -9.890 1.00 0.00 H new ATOM 410 N LEU A 28 -7.055 -13.154 -0.989 1.00 0.00 N ATOM 411 CA LEU A 28 -6.368 -14.081 -0.097 1.00 0.00 C ATOM 412 C LEU A 28 -7.322 -15.160 0.407 1.00 0.00 C ATOM 413 O LEU A 28 -6.967 -16.337 0.473 1.00 0.00 O ATOM 414 CB LEU A 28 -5.763 -13.326 1.088 1.00 0.00 C ATOM 415 CG LEU A 28 -6.735 -12.930 2.199 1.00 0.00 C ATOM 416 CD1 LEU A 28 -7.057 -14.128 3.079 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.159 -11.794 3.032 1.00 0.00 C ATOM 0 H LEU A 28 -7.470 -12.348 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.568 -14.563 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.977 -13.943 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.286 -12.422 0.711 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.661 -12.584 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.750 -13.827 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.512 -14.912 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.139 -14.505 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.865 -11.525 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.219 -12.113 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.980 -10.929 2.393 1.00 0.00 H new ATOM 429 N THR A 29 -8.536 -14.750 0.761 1.00 0.00 N ATOM 430 CA THR A 29 -9.542 -15.681 1.258 1.00 0.00 C ATOM 431 C THR A 29 -9.870 -16.744 0.216 1.00 0.00 C ATOM 432 O THR A 29 -10.128 -17.899 0.554 1.00 0.00 O ATOM 433 CB THR A 29 -10.839 -14.948 1.652 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.744 -15.861 2.284 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.503 -14.329 0.432 1.00 0.00 C ATOM 0 H THR A 29 -8.846 -13.780 0.713 1.00 0.00 H new ATOM 0 HA THR A 29 -9.120 -16.160 2.142 1.00 0.00 H new ATOM 0 HB THR A 29 -10.583 -14.150 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.565 -15.388 2.533 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.416 -13.817 0.735 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.822 -13.613 -0.029 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.747 -15.112 -0.286 1.00 0.00 H new ATOM 443 N ASP A 30 -9.858 -16.347 -1.052 1.00 0.00 N ATOM 444 CA ASP A 30 -10.152 -17.267 -2.144 1.00 0.00 C ATOM 445 C ASP A 30 -9.002 -18.248 -2.353 1.00 0.00 C ATOM 446 O ASP A 30 -9.220 -19.444 -2.544 1.00 0.00 O ATOM 447 CB ASP A 30 -10.418 -16.492 -3.435 1.00 0.00 C ATOM 448 CG ASP A 30 -10.574 -17.403 -4.637 1.00 0.00 C ATOM 449 OD1 ASP A 30 -11.666 -17.986 -4.801 1.00 0.00 O ATOM 450 OD2 ASP A 30 -9.603 -17.535 -5.412 1.00 0.00 O ATOM 0 H ASP A 30 -9.648 -15.394 -1.349 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.045 -17.833 -1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.322 -15.894 -3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.597 -15.797 -3.614 1.00 0.00 H new ATOM 455 N SER A 31 -7.777 -17.732 -2.317 1.00 0.00 N ATOM 456 CA SER A 31 -6.593 -18.562 -2.508 1.00 0.00 C ATOM 457 C SER A 31 -6.244 -19.313 -1.226 1.00 0.00 C ATOM 458 O SER A 31 -6.877 -19.120 -0.189 1.00 0.00 O ATOM 459 CB SER A 31 -5.407 -17.701 -2.947 1.00 0.00 C ATOM 460 OG SER A 31 -5.346 -17.599 -4.359 1.00 0.00 O ATOM 0 H SER A 31 -7.579 -16.744 -2.158 1.00 0.00 H new ATOM 0 HA SER A 31 -6.812 -19.291 -3.288 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.495 -16.706 -2.511 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.480 -18.134 -2.570 1.00 0.00 H new ATOM 0 HG SER A 31 -4.443 -17.332 -4.629 1.00 0.00 H new ATOM 466 N ASN A 32 -5.231 -20.169 -1.308 1.00 0.00 N ATOM 467 CA ASN A 32 -4.797 -20.951 -0.155 1.00 0.00 C ATOM 468 C ASN A 32 -3.838 -20.147 0.717 1.00 0.00 C ATOM 469 O ASN A 32 -2.682 -20.530 0.906 1.00 0.00 O ATOM 470 CB ASN A 32 -4.123 -22.245 -0.615 1.00 0.00 C ATOM 471 CG ASN A 32 -4.144 -23.320 0.454 1.00 0.00 C ATOM 472 OD1 ASN A 32 -5.134 -23.482 1.167 1.00 0.00 O ATOM 473 ND2 ASN A 32 -3.048 -24.060 0.571 1.00 0.00 N ATOM 0 H ASN A 32 -4.696 -20.339 -2.159 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.678 -21.199 0.437 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.626 -22.615 -1.509 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.091 -22.034 -0.894 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.004 -24.798 1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.250 -23.891 -0.042 1.00 0.00 H new ATOM 480 N LEU A 33 -4.324 -19.030 1.247 1.00 0.00 N ATOM 481 CA LEU A 33 -3.511 -18.171 2.101 1.00 0.00 C ATOM 482 C LEU A 33 -4.040 -18.167 3.532 1.00 0.00 C ATOM 483 O LEU A 33 -5.095 -17.597 3.813 1.00 0.00 O ATOM 484 CB LEU A 33 -3.488 -16.745 1.549 1.00 0.00 C ATOM 485 CG LEU A 33 -2.403 -16.442 0.515 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.709 -15.145 -0.217 1.00 0.00 C ATOM 487 CD2 LEU A 33 -1.036 -16.371 1.181 1.00 0.00 C ATOM 0 H LEU A 33 -5.277 -18.698 1.100 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.495 -18.567 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.459 -16.535 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.368 -16.055 2.385 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.388 -17.252 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.926 -14.947 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.668 -15.233 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.753 -14.325 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.276 -16.155 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.038 -15.582 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.813 -17.326 1.658 1.00 0.00 H new ATOM 499 N LYS A 34 -3.300 -18.804 4.433 1.00 0.00 N ATOM 500 CA LYS A 34 -3.692 -18.871 5.836 1.00 0.00 C ATOM 501 C LYS A 34 -3.206 -17.641 6.596 1.00 0.00 C ATOM 502 O LYS A 34 -3.085 -17.664 7.821 1.00 0.00 O ATOM 503 CB LYS A 34 -3.131 -20.139 6.483 1.00 0.00 C ATOM 504 CG LYS A 34 -3.838 -21.410 6.045 1.00 0.00 C ATOM 505 CD LYS A 34 -3.671 -22.522 7.067 1.00 0.00 C ATOM 506 CE LYS A 34 -4.731 -23.599 6.897 1.00 0.00 C ATOM 507 NZ LYS A 34 -4.391 -24.836 7.652 1.00 0.00 N ATOM 0 H LYS A 34 -2.425 -19.281 4.217 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.781 -18.898 5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.071 -20.221 6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.205 -20.047 7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.899 -21.205 5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.441 -21.736 5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.681 -22.966 6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.732 -22.106 8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.694 -23.218 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.840 -23.838 5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.138 -25.546 7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.485 -25.214 7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.312 -24.614 8.665 1.00 0.00 H new ATOM 521 N VAL A 35 -2.929 -16.568 5.862 1.00 0.00 N ATOM 522 CA VAL A 35 -2.459 -15.328 6.467 1.00 0.00 C ATOM 523 C VAL A 35 -3.587 -14.614 7.204 1.00 0.00 C ATOM 524 O VAL A 35 -4.759 -14.713 6.841 1.00 0.00 O ATOM 525 CB VAL A 35 -1.867 -14.377 5.411 1.00 0.00 C ATOM 526 CG1 VAL A 35 -1.015 -15.148 4.414 1.00 0.00 C ATOM 527 CG2 VAL A 35 -2.976 -13.615 4.700 1.00 0.00 C ATOM 0 H VAL A 35 -3.022 -16.533 4.847 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.679 -15.599 7.178 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.226 -13.655 5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.605 -14.459 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.199 -15.644 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.629 -15.895 3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.540 -12.947 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.644 -14.321 4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.540 -13.030 5.427 1.00 0.00 H new ATOM 537 N PRO A 36 -3.226 -13.874 8.263 1.00 0.00 N ATOM 538 CA PRO A 36 -4.193 -13.127 9.073 1.00 0.00 C ATOM 539 C PRO A 36 -4.784 -11.939 8.321 1.00 0.00 C ATOM 540 O PRO A 36 -4.326 -11.593 7.233 1.00 0.00 O ATOM 541 CB PRO A 36 -3.362 -12.647 10.265 1.00 0.00 C ATOM 542 CG PRO A 36 -1.963 -12.596 9.755 1.00 0.00 C ATOM 543 CD PRO A 36 -1.847 -13.711 8.752 1.00 0.00 C ATOM 0 HA PRO A 36 -5.050 -13.740 9.353 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.694 -11.668 10.610 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.451 -13.330 11.110 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.751 -11.632 9.293 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.247 -12.725 10.567 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.162 -13.455 7.944 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.472 -14.626 9.210 1.00 0.00 H new ATOM 551 N GLU A 37 -5.802 -11.319 8.910 1.00 0.00 N ATOM 552 CA GLU A 37 -6.454 -10.170 8.294 1.00 0.00 C ATOM 553 C GLU A 37 -5.545 -8.945 8.329 1.00 0.00 C ATOM 554 O GLU A 37 -5.584 -8.104 7.431 1.00 0.00 O ATOM 555 CB GLU A 37 -7.772 -9.861 9.006 1.00 0.00 C ATOM 556 CG GLU A 37 -8.414 -8.557 8.561 1.00 0.00 C ATOM 557 CD GLU A 37 -9.793 -8.352 9.158 1.00 0.00 C ATOM 558 OE1 GLU A 37 -10.592 -9.311 9.151 1.00 0.00 O ATOM 559 OE2 GLU A 37 -10.072 -7.231 9.633 1.00 0.00 O ATOM 0 H GLU A 37 -6.192 -11.593 9.812 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.661 -10.418 7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.471 -10.679 8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.594 -9.820 10.081 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.771 -7.724 8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.488 -8.545 7.474 1.00 0.00 H new ATOM 566 N GLU A 38 -4.728 -8.851 9.373 1.00 0.00 N ATOM 567 CA GLU A 38 -3.810 -7.729 9.526 1.00 0.00 C ATOM 568 C GLU A 38 -2.832 -7.662 8.356 1.00 0.00 C ATOM 569 O GLU A 38 -2.525 -6.582 7.850 1.00 0.00 O ATOM 570 CB GLU A 38 -3.039 -7.847 10.843 1.00 0.00 C ATOM 571 CG GLU A 38 -2.652 -6.506 11.445 1.00 0.00 C ATOM 572 CD GLU A 38 -3.709 -5.963 12.387 1.00 0.00 C ATOM 573 OE1 GLU A 38 -4.907 -6.216 12.143 1.00 0.00 O ATOM 574 OE2 GLU A 38 -3.338 -5.285 13.367 1.00 0.00 O ATOM 0 H GLU A 38 -4.683 -9.538 10.125 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.398 -6.811 9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.647 -8.396 11.562 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.136 -8.434 10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.710 -6.612 11.984 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.481 -5.788 10.643 1.00 0.00 H new ATOM 581 N LYS A 39 -2.346 -8.823 7.932 1.00 0.00 N ATOM 582 CA LYS A 39 -1.404 -8.899 6.822 1.00 0.00 C ATOM 583 C LYS A 39 -1.773 -7.904 5.726 1.00 0.00 C ATOM 584 O LYS A 39 -1.038 -6.951 5.467 1.00 0.00 O ATOM 585 CB LYS A 39 -1.373 -10.317 6.249 1.00 0.00 C ATOM 586 CG LYS A 39 -0.608 -10.428 4.941 1.00 0.00 C ATOM 587 CD LYS A 39 0.886 -10.576 5.180 1.00 0.00 C ATOM 588 CE LYS A 39 1.574 -9.222 5.256 1.00 0.00 C ATOM 589 NZ LYS A 39 3.003 -9.302 4.842 1.00 0.00 N ATOM 0 H LYS A 39 -2.589 -9.725 8.341 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.414 -8.645 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.922 -10.986 6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.396 -10.659 6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.974 -11.285 4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.794 -9.543 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.055 -11.124 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.328 -11.165 4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.050 -8.512 4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.512 -8.840 6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.395 -8.342 4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.541 -9.837 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.072 -9.783 3.923 1.00 0.00 H new ATOM 603 N ALA A 40 -2.916 -8.131 5.088 1.00 0.00 N ATOM 604 CA ALA A 40 -3.384 -7.253 4.023 1.00 0.00 C ATOM 605 C ALA A 40 -3.445 -5.804 4.494 1.00 0.00 C ATOM 606 O ALA A 40 -3.013 -4.893 3.787 1.00 0.00 O ATOM 607 CB ALA A 40 -4.748 -7.706 3.525 1.00 0.00 C ATOM 0 H ALA A 40 -3.535 -8.916 5.290 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.672 -7.311 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.084 -7.041 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.675 -8.723 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.463 -7.679 4.347 1.00 0.00 H new ATOM 613 N ALA A 41 -3.984 -5.598 5.691 1.00 0.00 N ATOM 614 CA ALA A 41 -4.101 -4.259 6.256 1.00 0.00 C ATOM 615 C ALA A 41 -2.747 -3.558 6.290 1.00 0.00 C ATOM 616 O ALA A 41 -2.524 -2.579 5.577 1.00 0.00 O ATOM 617 CB ALA A 41 -4.698 -4.327 7.654 1.00 0.00 C ATOM 0 H ALA A 41 -4.347 -6.341 6.288 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.766 -3.678 5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.780 -3.320 8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.688 -4.780 7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.054 -4.929 8.296 1.00 0.00 H new ATOM 623 N LYS A 42 -1.845 -4.064 7.124 1.00 0.00 N ATOM 624 CA LYS A 42 -0.512 -3.487 7.252 1.00 0.00 C ATOM 625 C LYS A 42 0.030 -3.062 5.891 1.00 0.00 C ATOM 626 O LYS A 42 0.382 -1.899 5.688 1.00 0.00 O ATOM 627 CB LYS A 42 0.442 -4.494 7.899 1.00 0.00 C ATOM 628 CG LYS A 42 0.134 -4.771 9.361 1.00 0.00 C ATOM 629 CD LYS A 42 1.052 -5.838 9.932 1.00 0.00 C ATOM 630 CE LYS A 42 2.340 -5.235 10.471 1.00 0.00 C ATOM 631 NZ LYS A 42 2.131 -4.564 11.784 1.00 0.00 N ATOM 0 H LYS A 42 -2.013 -4.873 7.722 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.585 -2.604 7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.399 -5.431 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.463 -4.120 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.241 -3.852 9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.903 -5.091 9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.537 -6.373 10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.287 -6.569 9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.090 -6.018 10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.732 -4.514 9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.051 -4.285 12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.541 -3.718 11.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.656 -5.219 12.437 1.00 0.00 H new ATOM 645 N VAL A 43 0.092 -4.009 4.961 1.00 0.00 N ATOM 646 CA VAL A 43 0.587 -3.731 3.618 1.00 0.00 C ATOM 647 C VAL A 43 -0.096 -2.505 3.023 1.00 0.00 C ATOM 648 O VAL A 43 0.565 -1.558 2.598 1.00 0.00 O ATOM 649 CB VAL A 43 0.370 -4.933 2.679 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.765 -4.576 1.254 1.00 0.00 C ATOM 651 CG2 VAL A 43 1.153 -6.141 3.172 1.00 0.00 C ATOM 0 H VAL A 43 -0.195 -4.976 5.113 1.00 0.00 H new ATOM 0 HA VAL A 43 1.656 -3.539 3.709 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.690 -5.189 2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.605 -5.437 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.156 -3.741 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.817 -4.293 1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.989 -6.981 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.216 -5.900 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.816 -6.409 4.174 1.00 0.00 H new ATOM 661 N ALA A 44 -1.425 -2.530 2.996 1.00 0.00 N ATOM 662 CA ALA A 44 -2.199 -1.420 2.455 1.00 0.00 C ATOM 663 C ALA A 44 -1.822 -0.107 3.132 1.00 0.00 C ATOM 664 O ALA A 44 -1.493 0.876 2.466 1.00 0.00 O ATOM 665 CB ALA A 44 -3.688 -1.689 2.612 1.00 0.00 C ATOM 0 H ALA A 44 -1.988 -3.307 3.343 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.967 -1.331 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.254 -0.852 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.951 -2.601 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.927 -1.807 3.669 1.00 0.00 H new ATOM 671 N THR A 45 -1.873 -0.095 4.460 1.00 0.00 N ATOM 672 CA THR A 45 -1.539 1.098 5.228 1.00 0.00 C ATOM 673 C THR A 45 -0.228 1.711 4.749 1.00 0.00 C ATOM 674 O THR A 45 -0.047 2.928 4.793 1.00 0.00 O ATOM 675 CB THR A 45 -1.428 0.785 6.732 1.00 0.00 C ATOM 676 OG1 THR A 45 -2.566 0.030 7.161 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.327 2.067 7.545 1.00 0.00 C ATOM 0 H THR A 45 -2.143 -0.899 5.027 1.00 0.00 H new ATOM 0 HA THR A 45 -2.348 1.811 5.072 1.00 0.00 H new ATOM 0 HB THR A 45 -0.523 0.199 6.893 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.487 -0.166 8.118 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.250 1.821 8.604 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.443 2.625 7.236 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.216 2.675 7.378 1.00 0.00 H new ATOM 685 N LYS A 46 0.684 0.860 4.290 1.00 0.00 N ATOM 686 CA LYS A 46 1.979 1.318 3.801 1.00 0.00 C ATOM 687 C LYS A 46 1.853 1.908 2.400 1.00 0.00 C ATOM 688 O LYS A 46 2.296 3.029 2.146 1.00 0.00 O ATOM 689 CB LYS A 46 2.981 0.161 3.790 1.00 0.00 C ATOM 690 CG LYS A 46 3.713 -0.022 5.108 1.00 0.00 C ATOM 691 CD LYS A 46 2.800 -0.596 6.178 1.00 0.00 C ATOM 692 CE LYS A 46 3.345 -0.336 7.574 1.00 0.00 C ATOM 693 NZ LYS A 46 3.068 1.055 8.027 1.00 0.00 N ATOM 0 H LYS A 46 0.550 -0.150 4.247 1.00 0.00 H new ATOM 0 HA LYS A 46 2.339 2.096 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.455 -0.762 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.711 0.331 2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.566 -0.685 4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.108 0.937 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.808 -0.155 6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.687 -1.669 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.900 -1.042 8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.420 -0.514 7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.455 1.193 8.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.514 1.729 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.041 1.217 8.043 1.00 0.00 H new ATOM 707 N ILE A 47 1.246 1.148 1.495 1.00 0.00 N ATOM 708 CA ILE A 47 1.060 1.598 0.121 1.00 0.00 C ATOM 709 C ILE A 47 0.762 3.093 0.067 1.00 0.00 C ATOM 710 O ILE A 47 1.469 3.853 -0.594 1.00 0.00 O ATOM 711 CB ILE A 47 -0.084 0.834 -0.572 1.00 0.00 C ATOM 712 CG1 ILE A 47 0.151 -0.675 -0.476 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.205 1.265 -2.026 1.00 0.00 C ATOM 714 CD1 ILE A 47 1.591 -1.078 -0.703 1.00 0.00 C ATOM 0 H ILE A 47 0.875 0.218 1.688 1.00 0.00 H new ATOM 0 HA ILE A 47 1.993 1.396 -0.405 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.019 1.071 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.164 -1.022 0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.479 -1.180 -1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.018 0.716 -2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.413 2.334 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.729 1.054 -2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.683 -2.161 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.905 -0.762 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.224 -0.602 0.045 1.00 0.00 H new ATOM 726 N GLU A 48 -0.287 3.508 0.770 1.00 0.00 N ATOM 727 CA GLU A 48 -0.677 4.912 0.803 1.00 0.00 C ATOM 728 C GLU A 48 0.363 5.748 1.543 1.00 0.00 C ATOM 729 O GLU A 48 0.580 6.917 1.223 1.00 0.00 O ATOM 730 CB GLU A 48 -2.044 5.070 1.471 1.00 0.00 C ATOM 731 CG GLU A 48 -2.818 6.288 0.996 1.00 0.00 C ATOM 732 CD GLU A 48 -2.332 7.574 1.638 1.00 0.00 C ATOM 733 OE1 GLU A 48 -1.645 7.496 2.677 1.00 0.00 O ATOM 734 OE2 GLU A 48 -2.640 8.658 1.099 1.00 0.00 O ATOM 0 H GLU A 48 -0.882 2.892 1.324 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.740 5.269 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.638 4.176 1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.906 5.136 2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.729 6.371 -0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.876 6.152 1.220 1.00 0.00 H new ATOM 741 N LYS A 49 1.003 5.141 2.536 1.00 0.00 N ATOM 742 CA LYS A 49 2.021 5.826 3.324 1.00 0.00 C ATOM 743 C LYS A 49 3.181 6.275 2.441 1.00 0.00 C ATOM 744 O LYS A 49 3.734 7.357 2.630 1.00 0.00 O ATOM 745 CB LYS A 49 2.537 4.911 4.436 1.00 0.00 C ATOM 746 CG LYS A 49 3.249 5.654 5.554 1.00 0.00 C ATOM 747 CD LYS A 49 3.503 4.751 6.750 1.00 0.00 C ATOM 748 CE LYS A 49 3.817 5.558 8.000 1.00 0.00 C ATOM 749 NZ LYS A 49 2.580 5.956 8.728 1.00 0.00 N ATOM 0 H LYS A 49 0.835 4.174 2.815 1.00 0.00 H new ATOM 0 HA LYS A 49 1.565 6.709 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.699 4.356 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.220 4.179 4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.197 6.046 5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.649 6.509 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.627 4.127 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.333 4.080 6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.454 4.971 8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.379 6.450 7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.836 6.504 9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.983 6.538 8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.056 5.104 9.013 1.00 0.00 H new ATOM 763 N GLU A 50 3.543 5.435 1.476 1.00 0.00 N ATOM 764 CA GLU A 50 4.638 5.747 0.564 1.00 0.00 C ATOM 765 C GLU A 50 4.134 6.534 -0.642 1.00 0.00 C ATOM 766 O GLU A 50 4.768 7.494 -1.081 1.00 0.00 O ATOM 767 CB GLU A 50 5.324 4.461 0.097 1.00 0.00 C ATOM 768 CG GLU A 50 6.443 4.697 -0.904 1.00 0.00 C ATOM 769 CD GLU A 50 7.703 5.234 -0.254 1.00 0.00 C ATOM 770 OE1 GLU A 50 8.333 4.489 0.526 1.00 0.00 O ATOM 771 OE2 GLU A 50 8.060 6.400 -0.525 1.00 0.00 O ATOM 0 H GLU A 50 3.095 4.535 1.306 1.00 0.00 H new ATOM 0 HA GLU A 50 5.360 6.362 1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.728 3.939 0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.579 3.804 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.672 3.762 -1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.103 5.400 -1.664 1.00 0.00 H new ATOM 778 N LEU A 51 2.989 6.120 -1.175 1.00 0.00 N ATOM 779 CA LEU A 51 2.398 6.786 -2.331 1.00 0.00 C ATOM 780 C LEU A 51 2.258 8.284 -2.084 1.00 0.00 C ATOM 781 O LEU A 51 2.849 9.099 -2.793 1.00 0.00 O ATOM 782 CB LEU A 51 1.030 6.179 -2.649 1.00 0.00 C ATOM 783 CG LEU A 51 0.567 6.294 -4.102 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.341 5.329 -4.987 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.928 6.034 -4.207 1.00 0.00 C ATOM 0 H LEU A 51 2.452 5.327 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 51 3.061 6.638 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.051 5.124 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.286 6.657 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 51 0.764 7.309 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.998 5.425 -6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.405 5.562 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.176 4.308 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.240 6.120 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.149 5.030 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.468 6.765 -3.605 1.00 0.00 H new ATOM 797 N PHE A 52 1.473 8.641 -1.072 1.00 0.00 N ATOM 798 CA PHE A 52 1.256 10.042 -0.731 1.00 0.00 C ATOM 799 C PHE A 52 2.583 10.758 -0.500 1.00 0.00 C ATOM 800 O PHE A 52 2.796 11.867 -0.990 1.00 0.00 O ATOM 801 CB PHE A 52 0.380 10.154 0.519 1.00 0.00 C ATOM 802 CG PHE A 52 0.091 11.571 0.923 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.631 12.410 0.090 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.541 12.065 2.137 1.00 0.00 C ATOM 805 CE1 PHE A 52 -0.899 13.715 0.459 1.00 0.00 C ATOM 806 CE2 PHE A 52 0.276 13.368 2.512 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.444 14.195 1.671 1.00 0.00 C ATOM 0 H PHE A 52 0.977 7.980 -0.474 1.00 0.00 H new ATOM 0 HA PHE A 52 0.747 10.519 -1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.562 9.636 0.340 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.873 9.642 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.989 12.040 -0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.106 11.424 2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.463 14.358 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.631 13.740 3.462 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.650 15.215 1.961 1.00 0.00 H new ATOM 817 N SER A 53 3.473 10.115 0.249 1.00 0.00 N ATOM 818 CA SER A 53 4.779 10.691 0.548 1.00 0.00 C ATOM 819 C SER A 53 5.608 10.847 -0.723 1.00 0.00 C ATOM 820 O SER A 53 6.533 11.658 -0.779 1.00 0.00 O ATOM 821 CB SER A 53 5.528 9.816 1.555 1.00 0.00 C ATOM 822 OG SER A 53 4.964 9.932 2.850 1.00 0.00 O ATOM 0 H SER A 53 3.314 9.195 0.660 1.00 0.00 H new ATOM 0 HA SER A 53 4.622 11.678 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.495 8.775 1.232 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.578 10.107 1.585 1.00 0.00 H new ATOM 0 HG SER A 53 4.445 9.126 3.054 1.00 0.00 H new ATOM 828 N PHE A 54 5.271 10.063 -1.742 1.00 0.00 N ATOM 829 CA PHE A 54 5.984 10.112 -3.013 1.00 0.00 C ATOM 830 C PHE A 54 5.495 11.278 -3.866 1.00 0.00 C ATOM 831 O PHE A 54 6.282 12.122 -4.296 1.00 0.00 O ATOM 832 CB PHE A 54 5.805 8.797 -3.774 1.00 0.00 C ATOM 833 CG PHE A 54 6.683 8.681 -4.986 1.00 0.00 C ATOM 834 CD1 PHE A 54 8.061 8.618 -4.856 1.00 0.00 C ATOM 835 CD2 PHE A 54 6.132 8.635 -6.256 1.00 0.00 C ATOM 836 CE1 PHE A 54 8.872 8.512 -5.970 1.00 0.00 C ATOM 837 CE2 PHE A 54 6.938 8.529 -7.374 1.00 0.00 C ATOM 838 CZ PHE A 54 8.310 8.466 -7.231 1.00 0.00 C ATOM 0 H PHE A 54 4.509 9.386 -1.712 1.00 0.00 H new ATOM 0 HA PHE A 54 7.043 10.259 -2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.016 7.966 -3.101 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.763 8.703 -4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.506 8.652 -3.873 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.060 8.683 -6.374 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.945 8.465 -5.855 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.495 8.495 -8.358 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.942 8.381 -8.103 1.00 0.00 H new ATOM 848 N PHE A 55 4.189 11.319 -4.109 1.00 0.00 N ATOM 849 CA PHE A 55 3.593 12.380 -4.913 1.00 0.00 C ATOM 850 C PHE A 55 3.479 13.672 -4.109 1.00 0.00 C ATOM 851 O PHE A 55 3.335 14.756 -4.675 1.00 0.00 O ATOM 852 CB PHE A 55 2.211 11.954 -5.414 1.00 0.00 C ATOM 853 CG PHE A 55 2.259 10.899 -6.482 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.580 11.231 -7.788 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.983 9.575 -6.179 1.00 0.00 C ATOM 856 CE1 PHE A 55 2.626 10.262 -8.773 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.028 8.603 -7.160 1.00 0.00 C ATOM 858 CZ PHE A 55 2.348 8.947 -8.459 1.00 0.00 C ATOM 0 H PHE A 55 3.523 10.630 -3.761 1.00 0.00 H new ATOM 0 HA PHE A 55 4.242 12.562 -5.770 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.627 11.581 -4.572 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.689 12.829 -5.802 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.797 12.259 -8.040 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.730 9.300 -5.166 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.879 10.534 -9.787 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.813 7.574 -6.911 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.381 8.189 -9.227 1.00 0.00 H new ATOM 868 N ARG A 56 3.545 13.548 -2.788 1.00 0.00 N ATOM 869 CA ARG A 56 3.448 14.705 -1.906 1.00 0.00 C ATOM 870 C ARG A 56 2.198 15.523 -2.218 1.00 0.00 C ATOM 871 O ARG A 56 2.168 16.735 -2.006 1.00 0.00 O ATOM 872 CB ARG A 56 4.693 15.583 -2.043 1.00 0.00 C ATOM 873 CG ARG A 56 5.812 15.207 -1.087 1.00 0.00 C ATOM 874 CD ARG A 56 7.164 15.684 -1.595 1.00 0.00 C ATOM 875 NE ARG A 56 8.268 15.134 -0.813 1.00 0.00 N ATOM 876 CZ ARG A 56 9.464 15.707 -0.727 1.00 0.00 C ATOM 877 NH1 ARG A 56 9.708 16.839 -1.371 1.00 0.00 N ATOM 878 NH2 ARG A 56 10.418 15.146 0.005 1.00 0.00 N ATOM 0 H ARG A 56 3.665 12.658 -2.304 1.00 0.00 H new ATOM 0 HA ARG A 56 3.378 14.344 -0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.063 15.517 -3.066 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.414 16.623 -1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.616 15.642 -0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.832 14.125 -0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.281 15.396 -2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.201 16.773 -1.559 1.00 0.00 H new ATOM 0 HE ARG A 56 8.113 14.263 -0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.977 17.273 -1.935 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.627 17.277 -1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.234 14.275 0.502 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.336 15.586 0.071 1.00 0.00 H new ATOM 892 N ASP A 57 1.169 14.851 -2.723 1.00 0.00 N ATOM 893 CA ASP A 57 -0.084 15.515 -3.064 1.00 0.00 C ATOM 894 C ASP A 57 -1.134 14.501 -3.506 1.00 0.00 C ATOM 895 O ASP A 57 -0.834 13.321 -3.691 1.00 0.00 O ATOM 896 CB ASP A 57 0.145 16.546 -4.171 1.00 0.00 C ATOM 897 CG ASP A 57 0.538 17.904 -3.626 1.00 0.00 C ATOM 898 OD1 ASP A 57 0.129 18.229 -2.491 1.00 0.00 O ATOM 899 OD2 ASP A 57 1.255 18.642 -4.333 1.00 0.00 O ATOM 0 H ASP A 57 1.178 13.847 -2.905 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.450 16.025 -2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.926 16.187 -4.841 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.764 16.645 -4.764 1.00 0.00 H new ATOM 904 N THR A 58 -2.368 14.968 -3.672 1.00 0.00 N ATOM 905 CA THR A 58 -3.463 14.101 -4.089 1.00 0.00 C ATOM 906 C THR A 58 -3.919 14.434 -5.505 1.00 0.00 C ATOM 907 O THR A 58 -5.078 14.222 -5.860 1.00 0.00 O ATOM 908 CB THR A 58 -4.666 14.217 -3.134 1.00 0.00 C ATOM 909 OG1 THR A 58 -5.101 15.579 -3.057 1.00 0.00 O ATOM 910 CG2 THR A 58 -4.304 13.716 -1.744 1.00 0.00 C ATOM 0 H THR A 58 -2.634 15.942 -3.524 1.00 0.00 H new ATOM 0 HA THR A 58 -3.085 13.079 -4.063 1.00 0.00 H new ATOM 0 HB THR A 58 -5.474 13.600 -3.527 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.867 15.644 -2.449 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.169 13.808 -1.087 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.001 12.670 -1.801 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.482 14.310 -1.346 1.00 0.00 H new ATOM 918 N ASP A 59 -3.000 14.956 -6.310 1.00 0.00 N ATOM 919 CA ASP A 59 -3.307 15.317 -7.689 1.00 0.00 C ATOM 920 C ASP A 59 -3.705 14.086 -8.497 1.00 0.00 C ATOM 921 O ASP A 59 -3.808 12.985 -7.958 1.00 0.00 O ATOM 922 CB ASP A 59 -2.105 16.003 -8.339 1.00 0.00 C ATOM 923 CG ASP A 59 -2.513 16.985 -9.420 1.00 0.00 C ATOM 924 OD1 ASP A 59 -3.714 17.321 -9.493 1.00 0.00 O ATOM 925 OD2 ASP A 59 -1.633 17.417 -10.193 1.00 0.00 O ATOM 0 H ASP A 59 -2.036 15.139 -6.031 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.148 16.010 -7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.532 16.527 -7.574 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.447 15.247 -8.768 1.00 0.00 H new ATOM 930 N ALA A 60 -3.927 14.281 -9.793 1.00 0.00 N ATOM 931 CA ALA A 60 -4.312 13.187 -10.675 1.00 0.00 C ATOM 932 C ALA A 60 -3.204 12.144 -10.771 1.00 0.00 C ATOM 933 O ALA A 60 -3.471 10.950 -10.913 1.00 0.00 O ATOM 934 CB ALA A 60 -4.658 13.721 -12.057 1.00 0.00 C ATOM 0 H ALA A 60 -3.847 15.187 -10.255 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.193 12.705 -10.252 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.944 12.893 -12.706 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.488 14.424 -11.978 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.791 14.229 -12.478 1.00 0.00 H new ATOM 940 N LYS A 61 -1.959 12.601 -10.694 1.00 0.00 N ATOM 941 CA LYS A 61 -0.809 11.707 -10.771 1.00 0.00 C ATOM 942 C LYS A 61 -0.755 10.784 -9.558 1.00 0.00 C ATOM 943 O LYS A 61 -0.261 9.659 -9.644 1.00 0.00 O ATOM 944 CB LYS A 61 0.486 12.516 -10.867 1.00 0.00 C ATOM 945 CG LYS A 61 0.593 13.620 -9.829 1.00 0.00 C ATOM 946 CD LYS A 61 1.964 14.275 -9.849 1.00 0.00 C ATOM 947 CE LYS A 61 2.014 15.433 -10.834 1.00 0.00 C ATOM 948 NZ LYS A 61 1.284 16.627 -10.323 1.00 0.00 N ATOM 0 H LYS A 61 -1.720 13.586 -10.578 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.916 11.095 -11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.335 11.841 -10.756 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.556 12.956 -11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.173 14.372 -10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.400 13.209 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.211 14.635 -8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.718 13.535 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.053 15.699 -11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.580 15.121 -11.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.609 17.475 -10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.263 16.502 -10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.469 16.738 -9.306 1.00 0.00 H new ATOM 962 N TYR A 62 -1.267 11.265 -8.431 1.00 0.00 N ATOM 963 CA TYR A 62 -1.276 10.482 -7.201 1.00 0.00 C ATOM 964 C TYR A 62 -2.293 9.348 -7.284 1.00 0.00 C ATOM 965 O TYR A 62 -1.982 8.196 -6.980 1.00 0.00 O ATOM 966 CB TYR A 62 -1.592 11.380 -6.003 1.00 0.00 C ATOM 967 CG TYR A 62 -2.063 10.619 -4.784 1.00 0.00 C ATOM 968 CD1 TYR A 62 -1.172 9.880 -4.016 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.399 10.639 -4.401 1.00 0.00 C ATOM 970 CE1 TYR A 62 -1.598 9.182 -2.902 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.833 9.946 -3.288 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.929 9.219 -2.542 1.00 0.00 C ATOM 973 OH TYR A 62 -3.358 8.526 -1.433 1.00 0.00 O ATOM 0 H TYR A 62 -1.681 12.193 -8.343 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.285 10.047 -7.070 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.701 11.951 -5.743 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.359 12.099 -6.291 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.129 9.850 -4.294 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.110 11.206 -4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.893 8.611 -2.317 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.874 9.973 -3.003 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.813 8.778 -0.659 1.00 0.00 H new ATOM 983 N LYS A 63 -3.510 9.683 -7.698 1.00 0.00 N ATOM 984 CA LYS A 63 -4.575 8.695 -7.824 1.00 0.00 C ATOM 985 C LYS A 63 -4.308 7.754 -8.995 1.00 0.00 C ATOM 986 O LYS A 63 -4.444 6.538 -8.869 1.00 0.00 O ATOM 987 CB LYS A 63 -5.925 9.391 -8.012 1.00 0.00 C ATOM 988 CG LYS A 63 -6.184 10.498 -7.005 1.00 0.00 C ATOM 989 CD LYS A 63 -7.094 11.571 -7.578 1.00 0.00 C ATOM 990 CE LYS A 63 -8.560 11.235 -7.358 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.107 10.393 -8.458 1.00 0.00 N ATOM 0 H LYS A 63 -3.784 10.632 -7.952 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.602 8.107 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.972 9.808 -9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.720 8.649 -7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.637 10.076 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.237 10.946 -6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.866 12.530 -7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.901 11.681 -8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.674 10.712 -6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.137 12.157 -7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.109 10.628 -8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.573 10.574 -9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.022 9.389 -8.202 1.00 0.00 H new ATOM 1005 N ASN A 64 -3.926 8.326 -10.132 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.640 7.538 -11.326 1.00 0.00 C ATOM 1007 C ASN A 64 -2.768 6.333 -10.985 1.00 0.00 C ATOM 1008 O ASN A 64 -2.958 5.242 -11.523 1.00 0.00 O ATOM 1009 CB ASN A 64 -2.945 8.403 -12.379 1.00 0.00 C ATOM 1010 CG ASN A 64 -3.930 9.083 -13.310 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -4.871 8.459 -13.800 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -3.718 10.371 -13.558 1.00 0.00 N ATOM 0 H ASN A 64 -3.807 9.332 -10.252 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.586 7.178 -11.729 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.338 9.159 -11.881 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.265 7.783 -12.964 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.348 10.882 -14.176 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.925 10.849 -13.130 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.810 6.538 -10.087 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.909 5.470 -9.672 1.00 0.00 C ATOM 1021 C LYS A 65 -1.626 4.474 -8.766 1.00 0.00 C ATOM 1022 O LYS A 65 -1.461 3.262 -8.907 1.00 0.00 O ATOM 1023 CB LYS A 65 0.306 6.053 -8.946 1.00 0.00 C ATOM 1024 CG LYS A 65 1.264 4.998 -8.420 1.00 0.00 C ATOM 1025 CD LYS A 65 1.801 4.124 -9.541 1.00 0.00 C ATOM 1026 CE LYS A 65 2.692 4.915 -10.486 1.00 0.00 C ATOM 1027 NZ LYS A 65 1.910 5.561 -11.576 1.00 0.00 N ATOM 0 H LYS A 65 -1.638 7.435 -9.633 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.573 4.944 -10.566 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.844 6.713 -9.627 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.039 6.666 -8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.094 5.483 -7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.754 4.376 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.365 3.293 -9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.969 3.693 -10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.230 5.678 -9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.440 4.252 -10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.478 5.579 -12.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.037 5.022 -11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.668 6.534 -11.300 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.423 4.992 -7.839 1.00 0.00 N ATOM 1042 CA TYR A 66 -3.165 4.148 -6.910 1.00 0.00 C ATOM 1043 C TYR A 66 -4.104 3.208 -7.659 1.00 0.00 C ATOM 1044 O TYR A 66 -4.097 1.998 -7.436 1.00 0.00 O ATOM 1045 CB TYR A 66 -3.962 5.011 -5.930 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.222 4.344 -5.423 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -5.160 3.168 -4.687 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.473 4.891 -5.682 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.308 2.555 -4.223 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.625 4.286 -5.220 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.538 3.118 -4.491 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.684 2.511 -4.031 1.00 0.00 O ATOM 0 H TYR A 66 -2.572 5.993 -7.711 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.447 3.546 -6.353 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.327 5.263 -5.081 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.228 5.949 -6.418 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.198 2.725 -4.474 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.545 5.804 -6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.242 1.640 -3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.589 4.725 -5.428 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.465 3.036 -4.305 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.912 3.776 -8.549 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.858 2.990 -9.332 1.00 0.00 C ATOM 1064 C ARG A 67 -5.127 2.050 -10.286 1.00 0.00 C ATOM 1065 O ARG A 67 -5.735 1.170 -10.894 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.789 3.912 -10.122 1.00 0.00 C ATOM 1067 CG ARG A 67 -6.075 4.737 -11.180 1.00 0.00 C ATOM 1068 CD ARG A 67 -6.037 4.015 -12.517 1.00 0.00 C ATOM 1069 NE ARG A 67 -5.148 4.675 -13.470 1.00 0.00 N ATOM 1070 CZ ARG A 67 -4.755 4.122 -14.612 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -5.169 2.907 -14.942 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -3.945 4.786 -15.427 1.00 0.00 N ATOM 0 H ARG A 67 -4.930 4.777 -8.745 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.451 2.390 -8.642 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.561 3.310 -10.602 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.294 4.584 -9.429 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.580 5.696 -11.297 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.058 4.950 -10.851 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.707 2.987 -12.365 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.044 3.968 -12.933 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.811 5.611 -13.246 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.791 2.393 -14.318 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.865 2.486 -15.820 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.624 5.721 -15.177 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.643 4.361 -16.304 1.00 0.00 H new ATOM 1086 N SER A 68 -3.818 2.244 -10.411 1.00 0.00 N ATOM 1087 CA SER A 68 -3.004 1.417 -11.294 1.00 0.00 C ATOM 1088 C SER A 68 -2.410 0.234 -10.536 1.00 0.00 C ATOM 1089 O SER A 68 -2.571 -0.920 -10.936 1.00 0.00 O ATOM 1090 CB SER A 68 -1.884 2.251 -11.920 1.00 0.00 C ATOM 1091 OG SER A 68 -2.302 2.832 -13.142 1.00 0.00 O ATOM 0 H SER A 68 -3.299 2.966 -9.912 1.00 0.00 H new ATOM 0 HA SER A 68 -3.647 1.033 -12.086 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.579 3.035 -11.227 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.011 1.622 -12.093 1.00 0.00 H new ATOM 0 HG SER A 68 -2.624 3.743 -12.978 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.722 0.529 -9.438 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.103 -0.510 -8.621 1.00 0.00 C ATOM 1099 C LEU A 69 -2.092 -1.634 -8.328 1.00 0.00 C ATOM 1100 O LEU A 69 -1.719 -2.806 -8.288 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.587 0.085 -7.310 1.00 0.00 C ATOM 1102 CG LEU A 69 0.488 1.165 -7.440 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.205 1.367 -6.114 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.481 0.800 -8.535 1.00 0.00 C ATOM 0 H LEU A 69 -1.579 1.478 -9.093 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.264 -0.926 -9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.433 0.507 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.188 -0.725 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 69 0.003 2.102 -7.714 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.966 2.139 -6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.486 1.674 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.677 0.433 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.239 1.580 -8.614 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.960 -0.148 -8.291 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.956 0.707 -9.486 1.00 0.00 H new ATOM 1116 N MET A 70 -3.353 -1.268 -8.127 1.00 0.00 N ATOM 1117 CA MET A 70 -4.396 -2.247 -7.842 1.00 0.00 C ATOM 1118 C MET A 70 -5.028 -2.760 -9.132 1.00 0.00 C ATOM 1119 O MET A 70 -5.671 -3.809 -9.145 1.00 0.00 O ATOM 1120 CB MET A 70 -5.471 -1.631 -6.943 1.00 0.00 C ATOM 1121 CG MET A 70 -6.336 -0.601 -7.649 1.00 0.00 C ATOM 1122 SD MET A 70 -7.227 0.464 -6.499 1.00 0.00 S ATOM 1123 CE MET A 70 -8.214 -0.742 -5.616 1.00 0.00 C ATOM 0 H MET A 70 -3.678 -0.302 -8.156 1.00 0.00 H new ATOM 0 HA MET A 70 -3.937 -3.089 -7.324 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.109 -2.426 -6.557 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.990 -1.162 -6.084 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.709 0.013 -8.295 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.051 -1.113 -8.293 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.194 -0.319 -5.396 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.333 -1.634 -6.230 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.716 -1.007 -4.684 1.00 0.00 H new ATOM 1133 N PHE A 71 -4.841 -2.013 -10.215 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.394 -2.392 -11.510 1.00 0.00 C ATOM 1135 C PHE A 71 -5.005 -3.823 -11.869 1.00 0.00 C ATOM 1136 O PHE A 71 -5.757 -4.533 -12.535 1.00 0.00 O ATOM 1137 CB PHE A 71 -4.908 -1.431 -12.597 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.572 -1.645 -13.927 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -5.103 -2.612 -14.802 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -6.664 -0.881 -14.302 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -5.712 -2.811 -16.026 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -7.277 -1.075 -15.526 1.00 0.00 C ATOM 1143 CZ PHE A 71 -6.801 -2.043 -16.389 1.00 0.00 C ATOM 0 H PHE A 71 -4.311 -1.142 -10.222 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.481 -2.335 -11.444 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.087 -0.406 -12.271 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.830 -1.544 -12.716 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.252 -3.217 -14.524 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.042 -0.124 -13.630 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.336 -3.567 -16.699 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.127 -0.471 -15.807 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.279 -2.199 -17.345 1.00 0.00 H new ATOM 1153 N ASN A 72 -3.824 -4.238 -11.424 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.333 -5.584 -11.699 1.00 0.00 C ATOM 1155 C ASN A 72 -3.770 -6.556 -10.608 1.00 0.00 C ATOM 1156 O ASN A 72 -3.958 -7.747 -10.861 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.807 -5.580 -11.812 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.328 -5.061 -13.155 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -0.795 -5.814 -13.969 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.517 -3.767 -13.390 1.00 0.00 N ATOM 0 H ASN A 72 -3.189 -3.662 -10.871 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.760 -5.913 -12.646 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.388 -4.963 -11.017 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.432 -6.592 -11.662 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.215 -3.360 -14.275 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.964 -3.181 -12.685 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.931 -6.041 -9.394 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.348 -6.864 -8.263 1.00 0.00 C ATOM 1169 C LEU A 73 -5.751 -7.419 -8.481 1.00 0.00 C ATOM 1170 O LEU A 73 -6.046 -8.556 -8.111 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.305 -6.047 -6.971 1.00 0.00 C ATOM 1172 CG LEU A 73 -2.928 -5.535 -6.545 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -3.065 -4.449 -5.490 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -2.070 -6.680 -6.027 1.00 0.00 C ATOM 0 H LEU A 73 -3.779 -5.058 -9.167 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.656 -7.702 -8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.970 -5.191 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.708 -6.659 -6.164 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.436 -5.105 -7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.075 -4.097 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.641 -3.618 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.577 -4.853 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.094 -6.297 -5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.558 -7.140 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.943 -7.424 -6.813 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.615 -6.610 -9.087 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.987 -7.020 -9.358 1.00 0.00 C ATOM 1188 C LYS A 74 -8.085 -7.738 -10.700 1.00 0.00 C ATOM 1189 O LYS A 74 -9.151 -8.224 -11.079 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.916 -5.804 -9.350 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.631 -4.813 -10.465 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.812 -3.887 -10.703 1.00 0.00 C ATOM 1193 CE LYS A 74 -9.390 -2.624 -11.439 1.00 0.00 C ATOM 1194 NZ LYS A 74 -10.545 -1.955 -12.099 1.00 0.00 N ATOM 0 H LYS A 74 -6.388 -5.666 -9.400 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.295 -7.710 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.948 -6.145 -9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.825 -5.295 -8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.750 -4.223 -10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.400 -5.353 -11.383 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.574 -4.409 -11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.264 -3.619 -9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.923 -1.933 -10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.639 -2.874 -12.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.216 -1.099 -12.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.976 -2.605 -12.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.251 -1.693 -11.382 1.00 0.00 H new ATOM 1208 N ASP A 75 -6.967 -7.803 -11.414 1.00 0.00 N ATOM 1209 CA ASP A 75 -6.926 -8.464 -12.714 1.00 0.00 C ATOM 1210 C ASP A 75 -6.795 -9.975 -12.550 1.00 0.00 C ATOM 1211 O ASP A 75 -5.900 -10.475 -11.869 1.00 0.00 O ATOM 1212 CB ASP A 75 -5.762 -7.926 -13.548 1.00 0.00 C ATOM 1213 CG ASP A 75 -5.999 -8.079 -15.037 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -7.073 -7.657 -15.514 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -5.108 -8.619 -15.726 1.00 0.00 O ATOM 0 H ASP A 75 -6.076 -7.406 -11.115 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.861 -8.252 -13.232 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.607 -6.873 -13.314 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.848 -8.452 -13.272 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.708 -10.721 -13.189 1.00 0.00 N ATOM 1221 CA PRO A 76 -7.716 -12.186 -13.129 1.00 0.00 C ATOM 1222 C PRO A 76 -6.542 -12.803 -13.882 1.00 0.00 C ATOM 1223 O PRO A 76 -6.219 -13.976 -13.695 1.00 0.00 O ATOM 1224 CB PRO A 76 -9.039 -12.561 -13.801 1.00 0.00 C ATOM 1225 CG PRO A 76 -9.343 -11.417 -14.705 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.804 -10.192 -14.019 1.00 0.00 C ATOM 0 HA PRO A 76 -7.622 -12.553 -12.107 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.949 -13.493 -14.359 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.830 -12.705 -13.065 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.876 -11.555 -15.680 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.416 -11.329 -14.875 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.445 -9.455 -14.737 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.566 -9.702 -13.413 1.00 0.00 H new ATOM 1234 N LYS A 77 -5.907 -12.006 -14.734 1.00 0.00 N ATOM 1235 CA LYS A 77 -4.767 -12.472 -15.514 1.00 0.00 C ATOM 1236 C LYS A 77 -3.522 -12.592 -14.641 1.00 0.00 C ATOM 1237 O LYS A 77 -2.752 -13.542 -14.770 1.00 0.00 O ATOM 1238 CB LYS A 77 -4.496 -11.518 -16.680 1.00 0.00 C ATOM 1239 CG LYS A 77 -5.712 -11.264 -17.553 1.00 0.00 C ATOM 1240 CD LYS A 77 -6.235 -12.551 -18.169 1.00 0.00 C ATOM 1241 CE LYS A 77 -7.329 -12.277 -19.190 1.00 0.00 C ATOM 1242 NZ LYS A 77 -7.773 -13.522 -19.875 1.00 0.00 N ATOM 0 H LYS A 77 -6.163 -11.033 -14.902 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.008 -13.459 -15.909 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.138 -10.567 -16.285 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.696 -11.929 -17.296 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.498 -10.799 -16.958 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.453 -10.560 -18.344 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.415 -13.086 -18.648 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.623 -13.200 -17.384 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.181 -11.812 -18.694 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.964 -11.565 -19.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.519 -13.293 -20.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.966 -13.953 -20.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.145 -14.192 -19.171 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.333 -11.622 -13.752 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.182 -11.620 -12.857 1.00 0.00 C ATOM 1258 C ASN A 78 -2.602 -11.956 -11.429 1.00 0.00 C ATOM 1259 O ASN A 78 -2.841 -11.064 -10.616 1.00 0.00 O ATOM 1260 CB ASN A 78 -1.487 -10.257 -12.889 1.00 0.00 C ATOM 1261 CG ASN A 78 -0.002 -10.358 -12.599 1.00 0.00 C ATOM 1262 OD1 ASN A 78 0.521 -11.445 -12.353 1.00 0.00 O ATOM 1263 ND2 ASN A 78 0.684 -9.222 -12.627 1.00 0.00 N ATOM 0 H ASN A 78 -3.962 -10.828 -13.632 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.485 -12.384 -13.201 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.633 -9.801 -13.868 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.953 -9.597 -12.157 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.687 -9.227 -12.440 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.208 -8.344 -12.836 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.689 -13.248 -11.132 1.00 0.00 N ATOM 1271 CA ASN A 79 -3.080 -13.703 -9.803 1.00 0.00 C ATOM 1272 C ASN A 79 -1.853 -14.036 -8.959 1.00 0.00 C ATOM 1273 O ASN A 79 -1.813 -15.065 -8.284 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.990 -14.929 -9.907 1.00 0.00 C ATOM 1275 CG ASN A 79 -4.420 -15.447 -8.548 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -5.233 -14.826 -7.864 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -3.874 -16.590 -8.152 1.00 0.00 N ATOM 0 H ASN A 79 -2.494 -13.999 -11.794 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.626 -12.895 -9.316 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.874 -14.674 -10.492 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.469 -15.720 -10.446 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.124 -16.988 -7.247 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.204 -17.070 -8.753 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.856 -13.159 -9.003 1.00 0.00 N ATOM 1285 CA ILE A 80 0.370 -13.359 -8.241 1.00 0.00 C ATOM 1286 C ILE A 80 0.694 -12.137 -7.389 1.00 0.00 C ATOM 1287 O ILE A 80 0.857 -12.240 -6.172 1.00 0.00 O ATOM 1288 CB ILE A 80 1.565 -13.658 -9.166 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.187 -14.724 -10.196 1.00 0.00 C ATOM 1290 CG2 ILE A 80 2.768 -14.104 -8.349 1.00 0.00 C ATOM 1291 CD1 ILE A 80 2.381 -15.429 -10.802 1.00 0.00 C ATOM 0 H ILE A 80 -0.873 -12.303 -9.558 1.00 0.00 H new ATOM 0 HA ILE A 80 0.201 -14.217 -7.591 1.00 0.00 H new ATOM 0 HB ILE A 80 1.831 -12.745 -9.699 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.541 -15.463 -9.722 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.607 -14.258 -10.993 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.604 -14.312 -9.016 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.047 -13.314 -7.652 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.515 -15.006 -7.792 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.038 -16.171 -11.523 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.017 -14.701 -11.305 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.949 -15.924 -10.015 1.00 0.00 H new ATOM 1303 N LEU A 81 0.784 -10.980 -8.035 1.00 0.00 N ATOM 1304 CA LEU A 81 1.087 -9.735 -7.336 1.00 0.00 C ATOM 1305 C LEU A 81 0.517 -9.752 -5.921 1.00 0.00 C ATOM 1306 O LEU A 81 1.260 -9.821 -4.942 1.00 0.00 O ATOM 1307 CB LEU A 81 0.523 -8.543 -8.110 1.00 0.00 C ATOM 1308 CG LEU A 81 1.293 -7.229 -7.974 1.00 0.00 C ATOM 1309 CD1 LEU A 81 2.776 -7.451 -8.227 1.00 0.00 C ATOM 1310 CD2 LEU A 81 0.738 -6.183 -8.930 1.00 0.00 C ATOM 0 H LEU A 81 0.652 -10.877 -9.041 1.00 0.00 H new ATOM 0 HA LEU A 81 2.171 -9.639 -7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.481 -8.808 -9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.503 -8.375 -7.782 1.00 0.00 H new ATOM 0 HG LEU A 81 1.170 -6.862 -6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.308 -6.505 -8.126 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.166 -8.166 -7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.919 -7.842 -9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.298 -5.255 -8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.830 -6.542 -9.955 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.312 -6.002 -8.702 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.807 -9.693 -5.821 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.477 -9.703 -4.526 1.00 0.00 C ATOM 1324 C PHE A 82 -0.756 -10.625 -3.548 1.00 0.00 C ATOM 1325 O PHE A 82 -0.602 -10.301 -2.370 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.933 -10.147 -4.685 1.00 0.00 C ATOM 1327 CG PHE A 82 -3.123 -11.632 -4.561 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -2.845 -12.471 -5.627 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -3.580 -12.188 -3.377 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -3.020 -13.837 -5.516 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.757 -13.554 -3.259 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.476 -14.380 -4.330 1.00 0.00 C ATOM 0 H PHE A 82 -1.437 -9.638 -6.621 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.455 -8.689 -4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.542 -9.647 -3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.300 -9.822 -5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.487 -12.053 -6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.801 -11.547 -2.536 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.801 -14.480 -6.356 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.114 -13.975 -2.331 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.612 -15.448 -4.241 1.00 0.00 H new ATOM 1342 N LYS A 83 -0.316 -11.776 -4.044 1.00 0.00 N ATOM 1343 CA LYS A 83 0.389 -12.747 -3.216 1.00 0.00 C ATOM 1344 C LYS A 83 1.838 -12.322 -2.994 1.00 0.00 C ATOM 1345 O LYS A 83 2.385 -12.490 -1.904 1.00 0.00 O ATOM 1346 CB LYS A 83 0.347 -14.131 -3.868 1.00 0.00 C ATOM 1347 CG LYS A 83 0.527 -15.273 -2.883 1.00 0.00 C ATOM 1348 CD LYS A 83 -0.039 -16.574 -3.428 1.00 0.00 C ATOM 1349 CE LYS A 83 -0.142 -17.635 -2.343 1.00 0.00 C ATOM 1350 NZ LYS A 83 1.179 -18.256 -2.049 1.00 0.00 N ATOM 0 H LYS A 83 -0.435 -12.060 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.111 -12.793 -2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.607 -14.252 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.128 -14.190 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.587 -15.400 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.033 -15.026 -1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.025 -16.392 -3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.596 -16.938 -4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.543 -17.187 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.845 -18.407 -2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.067 -18.974 -1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.551 -18.705 -2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.843 -17.523 -1.727 1.00 0.00 H new ATOM 1364 N LYS A 84 2.453 -11.770 -4.034 1.00 0.00 N ATOM 1365 CA LYS A 84 3.837 -11.318 -3.953 1.00 0.00 C ATOM 1366 C LYS A 84 3.995 -10.237 -2.889 1.00 0.00 C ATOM 1367 O LYS A 84 5.005 -10.185 -2.187 1.00 0.00 O ATOM 1368 CB LYS A 84 4.301 -10.784 -5.310 1.00 0.00 C ATOM 1369 CG LYS A 84 4.050 -11.744 -6.460 1.00 0.00 C ATOM 1370 CD LYS A 84 4.277 -11.075 -7.805 1.00 0.00 C ATOM 1371 CE LYS A 84 5.707 -11.264 -8.287 1.00 0.00 C ATOM 1372 NZ LYS A 84 5.906 -12.593 -8.928 1.00 0.00 N ATOM 0 H LYS A 84 2.015 -11.625 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 84 4.456 -12.171 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.790 -9.843 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.367 -10.563 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.710 -12.606 -6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.027 -12.118 -6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.587 -11.489 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.057 -10.011 -7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.957 -10.477 -8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.391 -11.161 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.893 -12.682 -9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.692 -13.345 -8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.272 -12.681 -9.748 1.00 0.00 H new ATOM 1386 N VAL A 85 2.989 -9.375 -2.773 1.00 0.00 N ATOM 1387 CA VAL A 85 3.015 -8.297 -1.792 1.00 0.00 C ATOM 1388 C VAL A 85 2.730 -8.822 -0.390 1.00 0.00 C ATOM 1389 O VAL A 85 3.438 -8.496 0.563 1.00 0.00 O ATOM 1390 CB VAL A 85 1.990 -7.200 -2.137 1.00 0.00 C ATOM 1391 CG1 VAL A 85 2.116 -6.030 -1.173 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.168 -6.738 -3.575 1.00 0.00 C ATOM 0 H VAL A 85 2.146 -9.403 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 85 4.017 -7.869 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 85 0.988 -7.618 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.384 -5.265 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.935 -6.376 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.120 -5.610 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.436 -5.963 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.173 -6.337 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.023 -7.582 -4.249 1.00 0.00 H new ATOM 1402 N LEU A 86 1.688 -9.638 -0.271 1.00 0.00 N ATOM 1403 CA LEU A 86 1.308 -10.210 1.016 1.00 0.00 C ATOM 1404 C LEU A 86 2.424 -11.088 1.573 1.00 0.00 C ATOM 1405 O LEU A 86 2.810 -10.958 2.734 1.00 0.00 O ATOM 1406 CB LEU A 86 0.023 -11.028 0.873 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.286 -10.263 1.071 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.276 -8.972 0.268 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.474 -11.128 0.678 1.00 0.00 C ATOM 0 H LEU A 86 1.092 -9.918 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 86 1.134 -9.390 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.011 -11.478 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.055 -11.846 1.593 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.380 -10.010 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.215 -8.441 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.447 -8.345 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.158 -9.203 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.397 -10.567 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.386 -11.413 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.492 -12.025 1.297 1.00 0.00 H new ATOM 1421 N LYS A 87 2.940 -11.981 0.735 1.00 0.00 N ATOM 1422 CA LYS A 87 4.015 -12.879 1.141 1.00 0.00 C ATOM 1423 C LYS A 87 5.270 -12.094 1.509 1.00 0.00 C ATOM 1424 O LYS A 87 5.951 -12.413 2.482 1.00 0.00 O ATOM 1425 CB LYS A 87 4.331 -13.870 0.018 1.00 0.00 C ATOM 1426 CG LYS A 87 4.876 -15.198 0.515 1.00 0.00 C ATOM 1427 CD LYS A 87 3.761 -16.201 0.761 1.00 0.00 C ATOM 1428 CE LYS A 87 4.309 -17.604 0.971 1.00 0.00 C ATOM 1429 NZ LYS A 87 5.507 -17.863 0.125 1.00 0.00 N ATOM 0 H LYS A 87 2.631 -12.102 -0.230 1.00 0.00 H new ATOM 0 HA LYS A 87 3.682 -13.430 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.425 -14.052 -0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.057 -13.420 -0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.575 -15.602 -0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.435 -15.041 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.186 -15.899 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.076 -16.200 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.569 -17.739 2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.535 -18.335 0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.689 -18.886 0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.338 -17.503 -0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.332 -17.381 0.535 1.00 0.00 H new ATOM 1443 N GLY A 88 5.570 -11.064 0.723 1.00 0.00 N ATOM 1444 CA GLY A 88 6.742 -10.249 0.984 1.00 0.00 C ATOM 1445 C GLY A 88 7.599 -10.053 -0.252 1.00 0.00 C ATOM 1446 O GLY A 88 8.561 -9.287 -0.232 1.00 0.00 O ATOM 0 H GLY A 88 5.022 -10.780 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.427 -9.276 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.340 -10.717 1.766 1.00 0.00 H new ATOM 1450 N GLU A 89 7.249 -10.749 -1.329 1.00 0.00 N ATOM 1451 CA GLU A 89 7.995 -10.650 -2.578 1.00 0.00 C ATOM 1452 C GLU A 89 8.098 -9.198 -3.036 1.00 0.00 C ATOM 1453 O GLU A 89 9.193 -8.679 -3.253 1.00 0.00 O ATOM 1454 CB GLU A 89 7.327 -11.493 -3.666 1.00 0.00 C ATOM 1455 CG GLU A 89 7.576 -12.985 -3.518 1.00 0.00 C ATOM 1456 CD GLU A 89 8.997 -13.377 -3.872 1.00 0.00 C ATOM 1457 OE1 GLU A 89 9.929 -12.913 -3.182 1.00 0.00 O ATOM 1458 OE2 GLU A 89 9.177 -14.148 -4.838 1.00 0.00 O ATOM 0 H GLU A 89 6.454 -11.387 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 89 9.001 -11.030 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.253 -11.309 -3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.690 -11.167 -4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.365 -13.285 -2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.882 -13.531 -4.158 1.00 0.00 H new ATOM 1465 N VAL A 90 6.948 -8.546 -3.181 1.00 0.00 N ATOM 1466 CA VAL A 90 6.907 -7.154 -3.613 1.00 0.00 C ATOM 1467 C VAL A 90 6.698 -6.218 -2.428 1.00 0.00 C ATOM 1468 O VAL A 90 5.711 -6.330 -1.700 1.00 0.00 O ATOM 1469 CB VAL A 90 5.787 -6.919 -4.643 1.00 0.00 C ATOM 1470 CG1 VAL A 90 5.619 -5.433 -4.919 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.078 -7.678 -5.929 1.00 0.00 C ATOM 0 H VAL A 90 6.032 -8.960 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 90 7.869 -6.938 -4.078 1.00 0.00 H new ATOM 0 HB VAL A 90 4.852 -7.296 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.823 -5.286 -5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.362 -4.918 -3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.551 -5.028 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.276 -7.500 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.023 -7.333 -6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.144 -8.745 -5.715 1.00 0.00 H new ATOM 1481 N THR A 91 7.634 -5.292 -2.240 1.00 0.00 N ATOM 1482 CA THR A 91 7.553 -4.335 -1.144 1.00 0.00 C ATOM 1483 C THR A 91 6.466 -3.297 -1.399 1.00 0.00 C ATOM 1484 O THR A 91 6.209 -2.898 -2.535 1.00 0.00 O ATOM 1485 CB THR A 91 8.896 -3.613 -0.928 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.598 -3.502 -2.172 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.756 -4.360 0.080 1.00 0.00 C ATOM 0 H THR A 91 8.457 -5.185 -2.833 1.00 0.00 H new ATOM 0 HA THR A 91 7.306 -4.903 -0.247 1.00 0.00 H new ATOM 0 HB THR A 91 8.689 -2.617 -0.537 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.511 -3.188 -2.005 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.699 -3.831 0.216 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.231 -4.418 1.034 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.954 -5.367 -0.287 1.00 0.00 H new ATOM 1495 N PRO A 92 5.811 -2.847 -0.318 1.00 0.00 N ATOM 1496 CA PRO A 92 4.742 -1.848 -0.399 1.00 0.00 C ATOM 1497 C PRO A 92 5.266 -0.467 -0.778 1.00 0.00 C ATOM 1498 O PRO A 92 4.490 0.458 -1.015 1.00 0.00 O ATOM 1499 CB PRO A 92 4.164 -1.831 1.018 1.00 0.00 C ATOM 1500 CG PRO A 92 5.281 -2.293 1.888 1.00 0.00 C ATOM 1501 CD PRO A 92 6.065 -3.279 1.067 1.00 0.00 C ATOM 0 HA PRO A 92 4.011 -2.095 -1.169 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.832 -0.831 1.298 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.299 -2.489 1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.908 -1.456 2.196 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.901 -2.758 2.798 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.127 -3.249 1.309 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.728 -4.302 1.237 1.00 0.00 H new ATOM 1509 N ASP A 93 6.587 -0.336 -0.833 1.00 0.00 N ATOM 1510 CA ASP A 93 7.215 0.932 -1.184 1.00 0.00 C ATOM 1511 C ASP A 93 7.788 0.882 -2.597 1.00 0.00 C ATOM 1512 O ASP A 93 8.043 1.918 -3.212 1.00 0.00 O ATOM 1513 CB ASP A 93 8.322 1.272 -0.184 1.00 0.00 C ATOM 1514 CG ASP A 93 9.541 0.386 -0.346 1.00 0.00 C ATOM 1515 OD1 ASP A 93 10.421 0.730 -1.163 1.00 0.00 O ATOM 1516 OD2 ASP A 93 9.616 -0.651 0.345 1.00 0.00 O ATOM 0 H ASP A 93 7.243 -1.092 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 93 6.452 1.709 -1.148 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.615 2.314 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.935 1.171 0.830 1.00 0.00 H new ATOM 1521 N HIS A 94 7.988 -0.329 -3.107 1.00 0.00 N ATOM 1522 CA HIS A 94 8.530 -0.515 -4.448 1.00 0.00 C ATOM 1523 C HIS A 94 7.409 -0.649 -5.474 1.00 0.00 C ATOM 1524 O HIS A 94 7.536 -0.192 -6.611 1.00 0.00 O ATOM 1525 CB HIS A 94 9.428 -1.752 -4.491 1.00 0.00 C ATOM 1526 CG HIS A 94 10.379 -1.762 -5.648 1.00 0.00 C ATOM 1527 ND1 HIS A 94 10.415 -2.536 -6.758 1.00 0.00 N flip ATOM 1528 CD2 HIS A 94 11.452 -0.901 -5.748 1.00 0.00 C flip ATOM 1529 CE1 HIS A 94 11.497 -2.133 -7.501 1.00 0.00 C flip ATOM 1530 NE2 HIS A 94 12.105 -1.145 -6.870 1.00 0.00 N flip ATOM 0 H HIS A 94 7.783 -1.197 -2.611 1.00 0.00 H new ATOM 0 HA HIS A 94 9.124 0.364 -4.698 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.997 -1.810 -3.563 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.803 -2.643 -4.538 1.00 0.00 H new ATOM 0 HD1 HIS A 94 9.760 -3.280 -6.998 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.717 -0.146 -5.023 1.00 0.00 H new ATOM 0 HE1 HIS A 94 11.801 -2.555 -8.447 1.00 0.00 H new ATOM 1539 N LEU A 95 6.313 -1.279 -5.066 1.00 0.00 N ATOM 1540 CA LEU A 95 5.170 -1.474 -5.951 1.00 0.00 C ATOM 1541 C LEU A 95 4.852 -0.197 -6.721 1.00 0.00 C ATOM 1542 O LEU A 95 4.268 -0.242 -7.804 1.00 0.00 O ATOM 1543 CB LEU A 95 3.946 -1.915 -5.145 1.00 0.00 C ATOM 1544 CG LEU A 95 2.672 -2.176 -5.948 1.00 0.00 C ATOM 1545 CD1 LEU A 95 2.863 -3.358 -6.885 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.493 -2.417 -5.016 1.00 0.00 C ATOM 0 H LEU A 95 6.192 -1.663 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 95 5.427 -2.254 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.202 -2.825 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.731 -1.149 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 95 2.459 -1.293 -6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.945 -3.528 -7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.679 -3.146 -7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.102 -4.248 -6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.595 -2.601 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.698 -3.283 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.341 -1.540 -4.387 1.00 0.00 H new ATOM 1558 N ILE A 96 5.242 0.941 -6.156 1.00 0.00 N ATOM 1559 CA ILE A 96 5.002 2.231 -6.791 1.00 0.00 C ATOM 1560 C ILE A 96 6.099 2.560 -7.798 1.00 0.00 C ATOM 1561 O ILE A 96 5.831 3.116 -8.863 1.00 0.00 O ATOM 1562 CB ILE A 96 4.919 3.364 -5.751 1.00 0.00 C ATOM 1563 CG1 ILE A 96 4.126 2.904 -4.526 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.283 4.601 -6.366 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.334 3.777 -3.309 1.00 0.00 C ATOM 0 H ILE A 96 5.726 0.996 -5.260 1.00 0.00 H new ATOM 0 HA ILE A 96 4.046 2.155 -7.310 1.00 0.00 H new ATOM 0 HB ILE A 96 5.929 3.619 -5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.065 2.889 -4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.411 1.881 -4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.231 5.393 -5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.884 4.938 -7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.277 4.360 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.742 3.392 -2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.389 3.773 -3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.022 4.797 -3.535 1.00 0.00 H new ATOM 1577 N ARG A 97 7.334 2.211 -7.454 1.00 0.00 N ATOM 1578 CA ARG A 97 8.472 2.469 -8.329 1.00 0.00 C ATOM 1579 C ARG A 97 8.495 1.486 -9.496 1.00 0.00 C ATOM 1580 O ARG A 97 9.189 1.702 -10.488 1.00 0.00 O ATOM 1581 CB ARG A 97 9.780 2.372 -7.541 1.00 0.00 C ATOM 1582 CG ARG A 97 10.092 3.614 -6.723 1.00 0.00 C ATOM 1583 CD ARG A 97 11.352 3.432 -5.891 1.00 0.00 C ATOM 1584 NE ARG A 97 12.563 3.555 -6.698 1.00 0.00 N ATOM 1585 CZ ARG A 97 13.757 3.130 -6.300 1.00 0.00 C ATOM 1586 NH1 ARG A 97 13.899 2.557 -5.113 1.00 0.00 N ATOM 1587 NH2 ARG A 97 14.812 3.278 -7.091 1.00 0.00 N ATOM 0 H ARG A 97 7.572 1.749 -6.576 1.00 0.00 H new ATOM 0 HA ARG A 97 8.370 3.478 -8.728 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.729 1.511 -6.874 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.600 2.189 -8.236 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.215 4.468 -7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.251 3.840 -6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.371 4.175 -5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.333 2.452 -5.413 1.00 0.00 H new ATOM 0 HE ARG A 97 12.488 3.991 -7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.090 2.441 -4.502 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.817 2.232 -4.810 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.706 3.718 -8.005 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.729 2.952 -6.785 1.00 0.00 H new ATOM 1601 N MET A 98 7.731 0.406 -9.368 1.00 0.00 N ATOM 1602 CA MET A 98 7.663 -0.609 -10.413 1.00 0.00 C ATOM 1603 C MET A 98 6.964 -0.065 -11.655 1.00 0.00 C ATOM 1604 O MET A 98 6.083 0.790 -11.559 1.00 0.00 O ATOM 1605 CB MET A 98 6.927 -1.849 -9.901 1.00 0.00 C ATOM 1606 CG MET A 98 7.663 -2.576 -8.787 1.00 0.00 C ATOM 1607 SD MET A 98 8.786 -3.843 -9.408 1.00 0.00 S ATOM 1608 CE MET A 98 7.620 -5.072 -9.990 1.00 0.00 C ATOM 0 H MET A 98 7.151 0.211 -8.552 1.00 0.00 H new ATOM 0 HA MET A 98 8.682 -0.886 -10.684 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.941 -1.554 -9.542 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.771 -2.537 -10.732 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.227 -1.853 -8.198 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.937 -3.036 -8.117 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.104 -6.048 -10.019 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.765 -5.111 -9.315 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.280 -4.806 -10.991 1.00 0.00 H new ATOM 1618 N SER A 99 7.363 -0.566 -12.820 1.00 0.00 N ATOM 1619 CA SER A 99 6.777 -0.127 -14.081 1.00 0.00 C ATOM 1620 C SER A 99 5.493 -0.894 -14.380 1.00 0.00 C ATOM 1621 O SER A 99 5.256 -1.986 -13.861 1.00 0.00 O ATOM 1622 CB SER A 99 7.776 -0.317 -15.225 1.00 0.00 C ATOM 1623 OG SER A 99 8.554 -1.486 -15.034 1.00 0.00 O ATOM 0 H SER A 99 8.089 -1.276 -12.917 1.00 0.00 H new ATOM 0 HA SER A 99 6.534 0.932 -13.991 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.241 -0.383 -16.172 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.430 0.553 -15.289 1.00 0.00 H new ATOM 0 HG SER A 99 9.183 -1.586 -15.779 1.00 0.00 H new ATOM 1629 N PRO A 100 4.642 -0.311 -15.237 1.00 0.00 N ATOM 1630 CA PRO A 100 3.367 -0.921 -15.626 1.00 0.00 C ATOM 1631 C PRO A 100 3.558 -2.154 -16.502 1.00 0.00 C ATOM 1632 O PRO A 100 2.600 -2.864 -16.806 1.00 0.00 O ATOM 1633 CB PRO A 100 2.667 0.190 -16.411 1.00 0.00 C ATOM 1634 CG PRO A 100 3.773 1.041 -16.932 1.00 0.00 C ATOM 1635 CD PRO A 100 4.859 0.989 -15.893 1.00 0.00 C ATOM 0 HA PRO A 100 2.802 -1.271 -14.762 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.065 -0.218 -17.223 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.994 0.762 -15.772 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.133 0.669 -17.892 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.435 2.065 -17.093 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.850 1.051 -16.344 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.778 1.814 -15.186 1.00 0.00 H new ATOM 1643 N GLU A 101 4.800 -2.403 -16.904 1.00 0.00 N ATOM 1644 CA GLU A 101 5.115 -3.551 -17.746 1.00 0.00 C ATOM 1645 C GLU A 101 5.712 -4.685 -16.918 1.00 0.00 C ATOM 1646 O GLU A 101 5.703 -5.843 -17.335 1.00 0.00 O ATOM 1647 CB GLU A 101 6.089 -3.147 -18.854 1.00 0.00 C ATOM 1648 CG GLU A 101 6.323 -4.237 -19.886 1.00 0.00 C ATOM 1649 CD GLU A 101 7.185 -3.770 -21.043 1.00 0.00 C ATOM 1650 OE1 GLU A 101 6.632 -3.164 -21.986 1.00 0.00 O ATOM 1651 OE2 GLU A 101 8.409 -4.010 -21.007 1.00 0.00 O ATOM 0 H GLU A 101 5.605 -1.825 -16.660 1.00 0.00 H new ATOM 0 HA GLU A 101 4.188 -3.903 -18.198 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.706 -2.259 -19.357 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.044 -2.873 -18.405 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.799 -5.091 -19.405 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.363 -4.581 -20.269 1.00 0.00 H new ATOM 1658 N GLU A 102 6.230 -4.343 -15.742 1.00 0.00 N ATOM 1659 CA GLU A 102 6.832 -5.333 -14.856 1.00 0.00 C ATOM 1660 C GLU A 102 5.795 -5.904 -13.893 1.00 0.00 C ATOM 1661 O GLU A 102 5.911 -7.044 -13.442 1.00 0.00 O ATOM 1662 CB GLU A 102 7.986 -4.710 -14.069 1.00 0.00 C ATOM 1663 CG GLU A 102 9.289 -4.642 -14.849 1.00 0.00 C ATOM 1664 CD GLU A 102 10.033 -5.963 -14.858 1.00 0.00 C ATOM 1665 OE1 GLU A 102 10.767 -6.238 -13.887 1.00 0.00 O ATOM 1666 OE2 GLU A 102 9.879 -6.723 -15.838 1.00 0.00 O ATOM 0 H GLU A 102 6.245 -3.389 -15.381 1.00 0.00 H new ATOM 0 HA GLU A 102 7.218 -6.146 -15.471 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.703 -3.703 -13.762 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.147 -5.287 -13.159 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.078 -4.341 -15.875 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.928 -3.872 -14.416 1.00 0.00 H new ATOM 1673 N LEU A 103 4.781 -5.103 -13.582 1.00 0.00 N ATOM 1674 CA LEU A 103 3.723 -5.527 -12.672 1.00 0.00 C ATOM 1675 C LEU A 103 3.052 -6.802 -13.174 1.00 0.00 C ATOM 1676 O LEU A 103 2.453 -7.546 -12.398 1.00 0.00 O ATOM 1677 CB LEU A 103 2.682 -4.417 -12.516 1.00 0.00 C ATOM 1678 CG LEU A 103 3.149 -3.157 -11.786 1.00 0.00 C ATOM 1679 CD1 LEU A 103 2.226 -1.989 -12.094 1.00 0.00 C ATOM 1680 CD2 LEU A 103 3.217 -3.405 -10.286 1.00 0.00 C ATOM 0 H LEU A 103 4.670 -4.157 -13.947 1.00 0.00 H new ATOM 0 HA LEU A 103 4.174 -5.733 -11.701 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.335 -4.130 -13.508 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.823 -4.824 -11.983 1.00 0.00 H new ATOM 0 HG LEU A 103 4.149 -2.905 -12.138 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.574 -1.101 -11.566 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.228 -1.797 -13.167 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.214 -2.230 -11.770 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.551 -2.498 -9.782 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.229 -3.682 -9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.920 -4.213 -10.082 1.00 0.00 H new