USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 628 hydrogens (15 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 NoAdj-H: A 122 LYS HZ1 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD NoAdj-H: A 122 LYS HZ2 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD Set 1.1: A 110 ASN : amide:sc= 0 X(o=-0.12,f=-0.12) USER MOD Set 1.2: A 132 SER OG : rot 180:sc= -0.12 USER MOD Single : A 79 SER OG : rot -56:sc= 0.495 USER MOD Single : A 81 HIS : no HE2:sc= -13.2! C(o=-13!,f=-16!) USER MOD Single : A 85 SER OG : rot 110:sc= -2.27! USER MOD Single : A 87 MET CE :methyl -173:sc= 0 (180deg=-0.0804) USER MOD Single : A 90 THR OG1 : rot 129:sc= 1.33 USER MOD Single : A 92 TYR OH : rot 158:sc= -0.624! USER MOD Single : A 94 THR OG1 : rot 39:sc= 0.643 USER MOD Single : A 96 SER OG : rot -172:sc= -1.79! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -1.77 K(o=-1.8,f=-5.4!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 116 CYS SG : rot 139:sc= -2.52! USER MOD Single : A 121 MET CE :methyl 170:sc= -0.0664 (180deg=-0.318) USER MOD Single : A 122 LYS NZ :NH3+ -148:sc= -0.471 (180deg=-0.534) USER MOD Single : A 123 MET CE :methyl -129:sc= -10.4! (180deg=-17.7!) USER MOD Single : A 124 MET CE :methyl -139:sc= -0.958 (180deg=-3.33!) USER MOD Single : A 125 ASN : amide:sc=-0.00627 K(o=-0.0063,f=-1.3) USER MOD Single : A 126 GLN : amide:sc= -0.115 K(o=-0.12,f=-1!) USER MOD Single : A 131 LYS NZ :NH3+ -114:sc= 1 (180deg=-0.411) USER MOD Single : A 134 THR OG1 : rot 7:sc= 0.126 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= -0.412 USER MOD Single : A 144 GLN : amide:sc= -2.24! C(o=-2.2!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 77 17.037 16.757 -4.284 1.00 0.00 N ATOM 2 CA GLU A 77 16.238 16.068 -3.279 1.00 0.00 C ATOM 3 C GLU A 77 15.639 14.785 -3.847 1.00 0.00 C ATOM 4 O GLU A 77 15.450 14.659 -5.055 1.00 0.00 O ATOM 5 CB GLU A 77 15.123 16.979 -2.760 1.00 0.00 C ATOM 6 CG GLU A 77 15.148 18.380 -3.353 1.00 0.00 C ATOM 7 CD GLU A 77 14.703 18.407 -4.802 1.00 0.00 C ATOM 8 OE1 GLU A 77 15.512 18.035 -5.678 1.00 0.00 O ATOM 9 OE2 GLU A 77 13.546 18.801 -5.061 1.00 0.00 O ATOM 0 HA GLU A 77 16.895 15.807 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.159 16.519 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 77 15.202 17.052 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.500 19.031 -2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 77 16.158 18.784 -3.279 1.00 0.00 H new ATOM 16 N ILE A 78 15.344 13.836 -2.965 1.00 0.00 N ATOM 17 CA ILE A 78 14.766 12.562 -3.377 1.00 0.00 C ATOM 18 C ILE A 78 13.783 12.041 -2.335 1.00 0.00 C ATOM 19 O ILE A 78 14.139 11.846 -1.172 1.00 0.00 O ATOM 20 CB ILE A 78 15.856 11.500 -3.612 1.00 0.00 C ATOM 21 CG1 ILE A 78 15.219 10.138 -3.895 1.00 0.00 C ATOM 22 CG2 ILE A 78 16.786 11.416 -2.411 1.00 0.00 C ATOM 23 CD1 ILE A 78 14.249 10.154 -5.056 1.00 0.00 C ATOM 0 H ILE A 78 15.496 13.925 -1.960 1.00 0.00 H new ATOM 0 HA ILE A 78 14.238 12.744 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 78 16.445 11.794 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 78 16.007 9.413 -4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 78 14.697 9.797 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 78 17.550 10.661 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 78 17.263 12.383 -2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 78 16.212 11.144 -1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 78 13.836 9.155 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.441 10.854 -4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.770 10.464 -5.962 1.00 0.00 H new ATOM 35 N SER A 79 12.543 11.817 -2.759 1.00 0.00 N ATOM 36 CA SER A 79 11.506 11.317 -1.863 1.00 0.00 C ATOM 37 C SER A 79 10.854 10.062 -2.432 1.00 0.00 C ATOM 38 O SER A 79 9.631 9.924 -2.415 1.00 0.00 O ATOM 39 CB SER A 79 10.445 12.394 -1.627 1.00 0.00 C ATOM 40 OG SER A 79 9.511 11.984 -0.644 1.00 0.00 O ATOM 0 H SER A 79 12.232 11.974 -3.718 1.00 0.00 H new ATOM 0 HA SER A 79 11.974 11.062 -0.912 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.926 13.320 -1.312 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.925 12.607 -2.561 1.00 0.00 H new ATOM 0 HG SER A 79 9.112 11.129 -0.908 1.00 0.00 H new ATOM 46 N GLY A 80 11.678 9.149 -2.936 1.00 0.00 N ATOM 47 CA GLY A 80 11.162 7.916 -3.503 1.00 0.00 C ATOM 48 C GLY A 80 9.866 8.126 -4.260 1.00 0.00 C ATOM 49 O GLY A 80 9.855 8.737 -5.329 1.00 0.00 O ATOM 0 H GLY A 80 12.694 9.241 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.907 7.489 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.000 7.192 -2.704 1.00 0.00 H new ATOM 53 N HIS A 81 8.770 7.618 -3.706 1.00 0.00 N ATOM 54 CA HIS A 81 7.461 7.753 -4.335 1.00 0.00 C ATOM 55 C HIS A 81 6.348 7.389 -3.358 1.00 0.00 C ATOM 56 O HIS A 81 6.494 6.476 -2.547 1.00 0.00 O ATOM 57 CB HIS A 81 7.377 6.866 -5.579 1.00 0.00 C ATOM 58 CG HIS A 81 7.393 5.400 -5.273 1.00 0.00 C ATOM 59 ND1 HIS A 81 6.300 4.580 -5.466 1.00 0.00 N ATOM 60 CD2 HIS A 81 8.376 4.606 -4.788 1.00 0.00 C ATOM 61 CE1 HIS A 81 6.612 3.345 -5.110 1.00 0.00 C ATOM 62 NE2 HIS A 81 7.865 3.336 -4.696 1.00 0.00 N ATOM 0 H HIS A 81 8.762 7.109 -2.822 1.00 0.00 H new ATOM 0 HA HIS A 81 7.332 8.794 -4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.464 7.105 -6.124 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.212 7.100 -6.239 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.394 4.879 -5.827 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.376 4.915 -4.523 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.954 2.490 -5.151 1.00 0.00 H new ATOM 71 N ILE A 82 5.235 8.112 -3.442 1.00 0.00 N ATOM 72 CA ILE A 82 4.097 7.867 -2.565 1.00 0.00 C ATOM 73 C ILE A 82 2.976 7.147 -3.306 1.00 0.00 C ATOM 74 O ILE A 82 2.376 7.697 -4.230 1.00 0.00 O ATOM 75 CB ILE A 82 3.548 9.181 -1.976 1.00 0.00 C ATOM 76 CG1 ILE A 82 4.591 9.834 -1.068 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.259 8.920 -1.210 1.00 0.00 C ATOM 78 CD1 ILE A 82 5.884 10.171 -1.779 1.00 0.00 C ATOM 0 H ILE A 82 5.098 8.872 -4.109 1.00 0.00 H new ATOM 0 HA ILE A 82 4.455 7.235 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 82 3.329 9.866 -2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.171 10.746 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.807 9.164 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.883 9.857 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.515 8.495 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.454 8.221 -0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.577 10.631 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.326 9.260 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.681 10.866 -2.594 1.00 0.00 H new ATOM 90 N VAL A 83 2.698 5.916 -2.894 1.00 0.00 N ATOM 91 CA VAL A 83 1.648 5.119 -3.518 1.00 0.00 C ATOM 92 C VAL A 83 0.273 5.524 -3.001 1.00 0.00 C ATOM 93 O VAL A 83 -0.200 5.005 -1.990 1.00 0.00 O ATOM 94 CB VAL A 83 1.858 3.615 -3.262 1.00 0.00 C ATOM 95 CG1 VAL A 83 0.863 2.793 -4.066 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.286 3.210 -3.593 1.00 0.00 C ATOM 0 H VAL A 83 3.185 5.447 -2.130 1.00 0.00 H new ATOM 0 HA VAL A 83 1.701 5.308 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 83 1.686 3.418 -2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.026 1.733 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.152 3.063 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.000 2.993 -5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.415 2.144 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.490 3.421 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.978 3.774 -2.968 1.00 0.00 H new ATOM 106 N ARG A 84 -0.367 6.453 -3.705 1.00 0.00 N ATOM 107 CA ARG A 84 -1.691 6.926 -3.318 1.00 0.00 C ATOM 108 C ARG A 84 -2.769 6.294 -4.191 1.00 0.00 C ATOM 109 O ARG A 84 -2.730 6.397 -5.417 1.00 0.00 O ATOM 110 CB ARG A 84 -1.762 8.451 -3.424 1.00 0.00 C ATOM 111 CG ARG A 84 -1.732 8.963 -4.855 1.00 0.00 C ATOM 112 CD ARG A 84 -0.809 10.163 -4.998 1.00 0.00 C ATOM 113 NE ARG A 84 -0.477 10.434 -6.394 1.00 0.00 N ATOM 114 CZ ARG A 84 -0.103 11.628 -6.843 1.00 0.00 C ATOM 115 NH1 ARG A 84 -0.017 12.655 -6.010 1.00 0.00 N ATOM 116 NH2 ARG A 84 0.185 11.795 -8.127 1.00 0.00 N ATOM 0 H ARG A 84 0.010 6.892 -4.545 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.867 6.632 -2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.676 8.798 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.927 8.884 -2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.400 8.166 -5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.740 9.239 -5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.285 11.041 -4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.107 9.985 -4.435 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.535 9.665 -7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.238 12.530 -5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.270 13.570 -6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.120 11.007 -8.771 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.472 12.712 -8.470 1.00 0.00 H new ATOM 130 N SER A 85 -3.734 5.638 -3.551 1.00 0.00 N ATOM 131 CA SER A 85 -4.823 4.989 -4.271 1.00 0.00 C ATOM 132 C SER A 85 -5.482 5.958 -5.249 1.00 0.00 C ATOM 133 O SER A 85 -5.920 7.042 -4.864 1.00 0.00 O ATOM 134 CB SER A 85 -5.863 4.452 -3.286 1.00 0.00 C ATOM 135 OG SER A 85 -6.249 5.450 -2.357 1.00 0.00 O ATOM 0 H SER A 85 -3.783 5.543 -2.537 1.00 0.00 H new ATOM 0 HA SER A 85 -4.407 4.157 -4.838 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.739 4.101 -3.832 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.454 3.593 -2.753 1.00 0.00 H new ATOM 0 HG SER A 85 -7.171 5.728 -2.540 1.00 0.00 H new ATOM 141 N PRO A 86 -5.557 5.575 -6.532 1.00 0.00 N ATOM 142 CA PRO A 86 -6.164 6.410 -7.574 1.00 0.00 C ATOM 143 C PRO A 86 -7.668 6.577 -7.379 1.00 0.00 C ATOM 144 O PRO A 86 -8.263 7.538 -7.864 1.00 0.00 O ATOM 145 CB PRO A 86 -5.875 5.641 -8.865 1.00 0.00 C ATOM 146 CG PRO A 86 -5.676 4.229 -8.434 1.00 0.00 C ATOM 147 CD PRO A 86 -5.056 4.298 -7.066 1.00 0.00 C ATOM 0 HA PRO A 86 -5.761 7.423 -7.568 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.703 5.726 -9.569 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.989 6.030 -9.366 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.624 3.692 -8.406 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.028 3.696 -9.130 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.359 3.455 -6.444 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.967 4.282 -7.116 1.00 0.00 H new ATOM 155 N MET A 87 -8.276 5.634 -6.668 1.00 0.00 N ATOM 156 CA MET A 87 -9.711 5.678 -6.411 1.00 0.00 C ATOM 157 C MET A 87 -10.030 5.153 -5.015 1.00 0.00 C ATOM 158 O MET A 87 -9.138 4.724 -4.282 1.00 0.00 O ATOM 159 CB MET A 87 -10.464 4.859 -7.461 1.00 0.00 C ATOM 160 CG MET A 87 -9.740 3.590 -7.877 1.00 0.00 C ATOM 161 SD MET A 87 -10.325 2.941 -9.454 1.00 0.00 S ATOM 162 CE MET A 87 -12.042 2.613 -9.068 1.00 0.00 C ATOM 0 H MET A 87 -7.798 4.831 -6.260 1.00 0.00 H new ATOM 0 HA MET A 87 -10.034 6.717 -6.471 1.00 0.00 H new ATOM 0 HB2 MET A 87 -11.446 4.595 -7.068 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.630 5.478 -8.343 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.671 3.792 -7.946 1.00 0.00 H new ATOM 0 HG3 MET A 87 -9.872 2.832 -7.105 1.00 0.00 H new ATOM 0 HE1 MET A 87 -12.510 2.092 -9.904 1.00 0.00 H new ATOM 0 HE2 MET A 87 -12.102 1.992 -8.174 1.00 0.00 H new ATOM 0 HE3 MET A 87 -12.561 3.555 -8.891 1.00 0.00 H new ATOM 172 N VAL A 88 -11.309 5.189 -4.653 1.00 0.00 N ATOM 173 CA VAL A 88 -11.746 4.718 -3.345 1.00 0.00 C ATOM 174 C VAL A 88 -11.391 3.249 -3.143 1.00 0.00 C ATOM 175 O VAL A 88 -11.179 2.512 -4.106 1.00 0.00 O ATOM 176 CB VAL A 88 -13.265 4.894 -3.163 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.731 4.216 -1.884 1.00 0.00 C ATOM 178 CG2 VAL A 88 -13.635 6.369 -3.158 1.00 0.00 C ATOM 0 H VAL A 88 -12.060 5.540 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.225 5.322 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.771 4.419 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.807 4.351 -1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.502 3.151 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -13.219 4.659 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.712 6.473 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -13.121 6.870 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.338 6.822 -4.104 1.00 0.00 H new ATOM 188 N GLY A 89 -11.328 2.829 -1.884 1.00 0.00 N ATOM 189 CA GLY A 89 -11.000 1.450 -1.575 1.00 0.00 C ATOM 190 C GLY A 89 -10.802 1.221 -0.091 1.00 0.00 C ATOM 191 O GLY A 89 -11.133 2.081 0.726 1.00 0.00 O ATOM 0 H GLY A 89 -11.499 3.420 -1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.797 0.800 -1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.092 1.167 -2.108 1.00 0.00 H new ATOM 195 N THR A 90 -10.261 0.059 0.262 1.00 0.00 N ATOM 196 CA THR A 90 -10.021 -0.279 1.659 1.00 0.00 C ATOM 197 C THR A 90 -8.582 -0.738 1.869 1.00 0.00 C ATOM 198 O THR A 90 -8.231 -1.874 1.553 1.00 0.00 O ATOM 199 CB THR A 90 -10.988 -1.372 2.116 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.221 -1.271 1.425 1.00 0.00 O ATOM 201 CG2 THR A 90 -11.287 -1.325 3.599 1.00 0.00 C ATOM 0 H THR A 90 -9.981 -0.664 -0.401 1.00 0.00 H new ATOM 0 HA THR A 90 -10.189 0.617 2.256 1.00 0.00 H new ATOM 0 HB THR A 90 -10.486 -2.314 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.452 -2.142 1.039 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.979 -2.127 3.856 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.361 -1.450 4.161 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.736 -0.364 3.849 1.00 0.00 H new ATOM 209 N PHE A 91 -7.755 0.152 2.408 1.00 0.00 N ATOM 210 CA PHE A 91 -6.356 -0.165 2.663 1.00 0.00 C ATOM 211 C PHE A 91 -6.233 -1.243 3.736 1.00 0.00 C ATOM 212 O PHE A 91 -7.208 -1.568 4.413 1.00 0.00 O ATOM 213 CB PHE A 91 -5.597 1.091 3.095 1.00 0.00 C ATOM 214 CG PHE A 91 -4.119 0.875 3.247 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.312 0.688 2.130 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.534 0.857 4.507 1.00 0.00 C ATOM 217 CE1 PHE A 91 -1.948 0.488 2.268 1.00 0.00 C ATOM 218 CE2 PHE A 91 -2.170 0.657 4.652 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.376 0.472 3.531 1.00 0.00 C ATOM 0 H PHE A 91 -8.030 1.097 2.676 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.919 -0.544 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.767 1.879 2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.004 1.444 4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.753 0.699 1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.149 1.000 5.383 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.331 0.345 1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.727 0.645 5.637 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.313 0.316 3.641 1.00 0.00 H new ATOM 229 N TYR A 92 -5.034 -1.795 3.884 1.00 0.00 N ATOM 230 CA TYR A 92 -4.796 -2.837 4.875 1.00 0.00 C ATOM 231 C TYR A 92 -3.308 -2.993 5.166 1.00 0.00 C ATOM 232 O TYR A 92 -2.462 -2.620 4.352 1.00 0.00 O ATOM 233 CB TYR A 92 -5.370 -4.166 4.392 1.00 0.00 C ATOM 234 CG TYR A 92 -6.838 -4.340 4.703 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.362 -3.947 5.934 1.00 0.00 C ATOM 236 CD2 TYR A 92 -7.705 -4.900 3.766 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.708 -4.106 6.221 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.053 -5.062 4.045 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.548 -4.664 5.275 1.00 0.00 C ATOM 240 OH TYR A 92 -10.885 -4.823 5.556 1.00 0.00 O ATOM 0 H TYR A 92 -4.215 -1.539 3.333 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.296 -2.541 5.797 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.224 -4.245 3.315 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.811 -4.982 4.851 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.708 -3.512 6.675 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.320 -5.213 2.807 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.099 -3.796 7.179 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.713 -5.496 3.308 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.390 -4.887 4.719 1.00 0.00 H new ATOM 250 N ARG A 93 -2.997 -3.555 6.329 1.00 0.00 N ATOM 251 CA ARG A 93 -1.613 -3.772 6.730 1.00 0.00 C ATOM 252 C ARG A 93 -1.321 -5.262 6.866 1.00 0.00 C ATOM 253 O ARG A 93 -0.172 -5.692 6.766 1.00 0.00 O ATOM 254 CB ARG A 93 -1.324 -3.058 8.053 1.00 0.00 C ATOM 255 CG ARG A 93 -0.810 -1.638 7.877 1.00 0.00 C ATOM 256 CD ARG A 93 -1.180 -0.762 9.062 1.00 0.00 C ATOM 257 NE ARG A 93 -0.217 -0.884 10.153 1.00 0.00 N ATOM 258 CZ ARG A 93 0.986 -0.319 10.139 1.00 0.00 C ATOM 259 NH1 ARG A 93 1.370 0.403 9.095 1.00 0.00 N ATOM 260 NH2 ARG A 93 1.807 -0.475 11.169 1.00 0.00 N ATOM 0 H ARG A 93 -3.687 -3.869 7.012 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.964 -3.359 5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.235 -3.034 8.650 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.589 -3.635 8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.273 -1.654 7.759 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.224 -1.211 6.964 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.235 0.278 8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.172 -1.037 9.421 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.482 -1.433 10.971 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.742 0.526 8.301 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.294 0.836 9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.516 -1.030 11.974 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.730 -0.041 11.156 1.00 0.00 H new ATOM 274 N THR A 94 -2.372 -6.045 7.091 1.00 0.00 N ATOM 275 CA THR A 94 -2.236 -7.489 7.238 1.00 0.00 C ATOM 276 C THR A 94 -3.345 -8.212 6.479 1.00 0.00 C ATOM 277 O THR A 94 -4.501 -8.213 6.901 1.00 0.00 O ATOM 278 CB THR A 94 -2.273 -7.879 8.717 1.00 0.00 C ATOM 279 OG1 THR A 94 -3.465 -7.417 9.328 1.00 0.00 O ATOM 280 CG2 THR A 94 -1.108 -7.326 9.510 1.00 0.00 C ATOM 0 H THR A 94 -3.329 -5.702 7.176 1.00 0.00 H new ATOM 0 HA THR A 94 -1.275 -7.787 6.819 1.00 0.00 H new ATOM 0 HB THR A 94 -2.218 -8.968 8.730 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.216 -7.531 8.708 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.195 -7.639 10.550 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.173 -7.703 9.094 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.116 -6.237 9.457 1.00 0.00 H new ATOM 288 N PRO A 95 -3.001 -8.835 5.342 1.00 0.00 N ATOM 289 CA PRO A 95 -3.965 -9.563 4.513 1.00 0.00 C ATOM 290 C PRO A 95 -4.368 -10.898 5.128 1.00 0.00 C ATOM 291 O PRO A 95 -4.263 -11.945 4.488 1.00 0.00 O ATOM 292 CB PRO A 95 -3.206 -9.782 3.208 1.00 0.00 C ATOM 293 CG PRO A 95 -1.772 -9.819 3.611 1.00 0.00 C ATOM 294 CD PRO A 95 -1.641 -8.874 4.775 1.00 0.00 C ATOM 0 HA PRO A 95 -4.900 -9.015 4.394 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.507 -10.712 2.725 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.398 -8.978 2.498 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.472 -10.828 3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.128 -9.514 2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.913 -9.232 5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.311 -7.886 4.454 1.00 0.00 H new ATOM 302 N SER A 96 -4.830 -10.852 6.372 1.00 0.00 N ATOM 303 CA SER A 96 -5.253 -12.055 7.078 1.00 0.00 C ATOM 304 C SER A 96 -5.230 -11.833 8.586 1.00 0.00 C ATOM 305 O SER A 96 -4.235 -11.370 9.141 1.00 0.00 O ATOM 306 CB SER A 96 -4.347 -13.234 6.712 1.00 0.00 C ATOM 307 OG SER A 96 -4.081 -14.044 7.844 1.00 0.00 O ATOM 0 H SER A 96 -4.921 -9.992 6.913 1.00 0.00 H new ATOM 0 HA SER A 96 -6.275 -12.284 6.775 1.00 0.00 H new ATOM 0 HB2 SER A 96 -4.821 -13.834 5.935 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.409 -12.862 6.299 1.00 0.00 H new ATOM 0 HG SER A 96 -3.403 -14.714 7.615 1.00 0.00 H new ATOM 313 N PRO A 97 -6.336 -12.166 9.268 1.00 0.00 N ATOM 314 CA PRO A 97 -6.451 -12.008 10.719 1.00 0.00 C ATOM 315 C PRO A 97 -5.260 -12.604 11.458 1.00 0.00 C ATOM 316 O PRO A 97 -5.322 -13.729 11.954 1.00 0.00 O ATOM 317 CB PRO A 97 -7.732 -12.774 11.055 1.00 0.00 C ATOM 318 CG PRO A 97 -8.544 -12.706 9.809 1.00 0.00 C ATOM 319 CD PRO A 97 -7.559 -12.726 8.671 1.00 0.00 C ATOM 0 HA PRO A 97 -6.475 -10.960 11.019 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.516 -13.806 11.333 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -8.257 -12.321 11.896 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.232 -13.549 9.745 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -9.148 -11.799 9.786 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -7.397 -13.737 8.298 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.906 -12.127 7.829 1.00 0.00 H new ATOM 327 N ASP A 98 -4.175 -11.837 11.516 1.00 0.00 N ATOM 328 CA ASP A 98 -2.952 -12.273 12.185 1.00 0.00 C ATOM 329 C ASP A 98 -2.032 -12.998 11.209 1.00 0.00 C ATOM 330 O ASP A 98 -1.605 -14.125 11.462 1.00 0.00 O ATOM 331 CB ASP A 98 -3.278 -13.181 13.371 1.00 0.00 C ATOM 332 CG ASP A 98 -2.318 -12.987 14.529 1.00 0.00 C ATOM 333 OD1 ASP A 98 -1.678 -11.917 14.596 1.00 0.00 O ATOM 334 OD2 ASP A 98 -2.208 -13.904 15.370 1.00 0.00 O ATOM 0 H ASP A 98 -4.118 -10.905 11.105 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.438 -11.386 12.556 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.295 -12.982 13.709 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.247 -14.221 13.048 1.00 0.00 H new ATOM 339 N ALA A 99 -1.731 -12.345 10.091 1.00 0.00 N ATOM 340 CA ALA A 99 -0.863 -12.924 9.075 1.00 0.00 C ATOM 341 C ALA A 99 0.561 -12.393 9.201 1.00 0.00 C ATOM 342 O ALA A 99 0.981 -11.963 10.274 1.00 0.00 O ATOM 343 CB ALA A 99 -1.414 -12.639 7.686 1.00 0.00 C ATOM 0 H ALA A 99 -2.077 -11.412 9.867 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.835 -14.003 9.229 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.755 -13.077 6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.409 -13.073 7.593 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.473 -11.562 7.532 1.00 0.00 H new ATOM 349 N LYS A 100 1.299 -12.428 8.097 1.00 0.00 N ATOM 350 CA LYS A 100 2.677 -11.950 8.081 1.00 0.00 C ATOM 351 C LYS A 100 2.734 -10.438 7.881 1.00 0.00 C ATOM 352 O LYS A 100 3.815 -9.859 7.767 1.00 0.00 O ATOM 353 CB LYS A 100 3.468 -12.654 6.977 1.00 0.00 C ATOM 354 CG LYS A 100 4.084 -13.972 7.416 1.00 0.00 C ATOM 355 CD LYS A 100 5.146 -13.761 8.483 1.00 0.00 C ATOM 356 CE LYS A 100 5.955 -15.027 8.721 1.00 0.00 C ATOM 357 NZ LYS A 100 7.389 -14.841 8.371 1.00 0.00 N ATOM 0 H LYS A 100 0.966 -12.783 7.201 1.00 0.00 H new ATOM 0 HA LYS A 100 3.125 -12.183 9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.809 -12.836 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.260 -11.990 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.304 -14.629 7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.526 -14.473 6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.812 -12.953 8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.672 -13.450 9.414 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.871 -15.320 9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.539 -15.841 8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.907 -15.726 8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.471 -14.586 7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.793 -14.081 8.955 1.00 0.00 H new ATOM 371 N ALA A 101 1.566 -9.803 7.841 1.00 0.00 N ATOM 372 CA ALA A 101 1.486 -8.359 7.655 1.00 0.00 C ATOM 373 C ALA A 101 2.188 -7.927 6.372 1.00 0.00 C ATOM 374 O ALA A 101 3.364 -8.226 6.164 1.00 0.00 O ATOM 375 CB ALA A 101 2.085 -7.640 8.854 1.00 0.00 C ATOM 0 H ALA A 101 0.662 -10.267 7.935 1.00 0.00 H new ATOM 0 HA ALA A 101 0.434 -8.088 7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.019 -6.563 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.535 -7.914 9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.131 -7.927 8.966 1.00 0.00 H new ATOM 381 N PHE A 102 1.459 -7.221 5.515 1.00 0.00 N ATOM 382 CA PHE A 102 2.010 -6.746 4.252 1.00 0.00 C ATOM 383 C PHE A 102 3.248 -5.888 4.488 1.00 0.00 C ATOM 384 O PHE A 102 3.771 -5.830 5.601 1.00 0.00 O ATOM 385 CB PHE A 102 0.958 -5.948 3.481 1.00 0.00 C ATOM 386 CG PHE A 102 0.243 -6.754 2.435 1.00 0.00 C ATOM 387 CD1 PHE A 102 0.959 -7.485 1.495 1.00 0.00 C ATOM 388 CD2 PHE A 102 -1.147 -6.783 2.390 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.302 -8.230 0.527 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.809 -7.526 1.426 1.00 0.00 C ATOM 391 CZ PHE A 102 -1.083 -8.250 0.494 1.00 0.00 C ATOM 0 H PHE A 102 0.484 -6.965 5.672 1.00 0.00 H new ATOM 0 HA PHE A 102 2.301 -7.614 3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.227 -5.551 4.185 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.439 -5.094 3.004 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.039 -7.473 1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.717 -6.220 3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.869 -8.793 -0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.889 -7.541 1.401 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.597 -8.830 -0.258 1.00 0.00 H new ATOM 401 N ILE A 103 3.711 -5.221 3.436 1.00 0.00 N ATOM 402 CA ILE A 103 4.887 -4.366 3.535 1.00 0.00 C ATOM 403 C ILE A 103 4.598 -3.134 4.384 1.00 0.00 C ATOM 404 O ILE A 103 3.911 -2.212 3.945 1.00 0.00 O ATOM 405 CB ILE A 103 5.375 -3.917 2.145 1.00 0.00 C ATOM 406 CG1 ILE A 103 5.281 -5.073 1.148 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.802 -3.395 2.228 1.00 0.00 C ATOM 408 CD1 ILE A 103 5.854 -6.371 1.673 1.00 0.00 C ATOM 0 H ILE A 103 3.291 -5.256 2.507 1.00 0.00 H new ATOM 0 HA ILE A 103 5.670 -4.957 4.011 1.00 0.00 H new ATOM 0 HB ILE A 103 4.733 -3.109 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.236 -5.228 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.806 -4.797 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.133 -3.081 1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.839 -2.545 2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.457 -4.184 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.754 -7.147 0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.908 -6.233 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.314 -6.670 2.571 1.00 0.00 H new ATOM 420 N GLU A 104 5.126 -3.127 5.603 1.00 0.00 N ATOM 421 CA GLU A 104 4.925 -2.009 6.517 1.00 0.00 C ATOM 422 C GLU A 104 6.164 -1.122 6.572 1.00 0.00 C ATOM 423 O GLU A 104 7.119 -1.324 5.822 1.00 0.00 O ATOM 424 CB GLU A 104 4.587 -2.517 7.918 1.00 0.00 C ATOM 425 CG GLU A 104 4.053 -3.942 7.942 1.00 0.00 C ATOM 426 CD GLU A 104 2.630 -4.040 7.427 1.00 0.00 C ATOM 427 OE1 GLU A 104 2.225 -3.167 6.631 1.00 0.00 O ATOM 428 OE2 GLU A 104 1.921 -4.990 7.821 1.00 0.00 O ATOM 0 H GLU A 104 5.697 -3.883 5.981 1.00 0.00 H new ATOM 0 HA GLU A 104 4.090 -1.416 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.481 -2.463 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.847 -1.854 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.699 -4.578 7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.094 -4.324 8.962 1.00 0.00 H new ATOM 435 N VAL A 105 6.141 -0.138 7.465 1.00 0.00 N ATOM 436 CA VAL A 105 7.261 0.782 7.618 1.00 0.00 C ATOM 437 C VAL A 105 8.535 0.040 8.005 1.00 0.00 C ATOM 438 O VAL A 105 8.488 -0.975 8.701 1.00 0.00 O ATOM 439 CB VAL A 105 6.964 1.855 8.681 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.919 3.029 8.536 1.00 0.00 C ATOM 441 CG2 VAL A 105 5.519 2.318 8.584 1.00 0.00 C ATOM 0 H VAL A 105 5.358 0.042 8.094 1.00 0.00 H new ATOM 0 HA VAL A 105 7.405 1.266 6.652 1.00 0.00 H new ATOM 0 HB VAL A 105 7.114 1.415 9.667 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.694 3.777 9.296 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.944 2.682 8.662 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.804 3.471 7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 105 5.328 3.076 9.343 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.338 2.740 7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.854 1.470 8.743 1.00 0.00 H new ATOM 451 N GLY A 106 9.672 0.554 7.549 1.00 0.00 N ATOM 452 CA GLY A 106 10.944 -0.069 7.858 1.00 0.00 C ATOM 453 C GLY A 106 11.103 -1.426 7.200 1.00 0.00 C ATOM 454 O GLY A 106 11.967 -2.214 7.586 1.00 0.00 O ATOM 0 H GLY A 106 9.735 1.392 6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.753 0.585 7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.037 -0.180 8.938 1.00 0.00 H new ATOM 458 N GLN A 107 10.267 -1.701 6.203 1.00 0.00 N ATOM 459 CA GLN A 107 10.321 -2.973 5.490 1.00 0.00 C ATOM 460 C GLN A 107 11.009 -2.800 4.135 1.00 0.00 C ATOM 461 O GLN A 107 11.053 -1.697 3.592 1.00 0.00 O ATOM 462 CB GLN A 107 8.907 -3.530 5.297 1.00 0.00 C ATOM 463 CG GLN A 107 8.859 -4.838 4.521 1.00 0.00 C ATOM 464 CD GLN A 107 7.774 -5.771 5.024 1.00 0.00 C ATOM 465 OE1 GLN A 107 7.125 -5.501 6.035 1.00 0.00 O ATOM 466 NE2 GLN A 107 7.573 -6.879 4.319 1.00 0.00 N ATOM 0 H GLN A 107 9.545 -1.061 5.871 1.00 0.00 H new ATOM 0 HA GLN A 107 10.901 -3.679 6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.451 -3.682 6.275 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.303 -2.787 4.776 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.690 -4.625 3.465 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.826 -5.336 4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.134 -7.063 3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.858 -7.546 4.609 1.00 0.00 H new ATOM 475 N LYS A 108 11.546 -3.892 3.594 1.00 0.00 N ATOM 476 CA LYS A 108 12.228 -3.845 2.305 1.00 0.00 C ATOM 477 C LYS A 108 11.241 -4.042 1.159 1.00 0.00 C ATOM 478 O LYS A 108 10.221 -4.713 1.314 1.00 0.00 O ATOM 479 CB LYS A 108 13.320 -4.915 2.245 1.00 0.00 C ATOM 480 CG LYS A 108 13.747 -5.270 0.830 1.00 0.00 C ATOM 481 CD LYS A 108 14.518 -4.134 0.178 1.00 0.00 C ATOM 482 CE LYS A 108 16.013 -4.266 0.417 1.00 0.00 C ATOM 483 NZ LYS A 108 16.641 -2.956 0.738 1.00 0.00 N ATOM 0 H LYS A 108 11.522 -4.815 4.027 1.00 0.00 H new ATOM 0 HA LYS A 108 12.686 -2.862 2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 108 14.190 -4.566 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.963 -5.815 2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 108 14.366 -6.167 0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.867 -5.504 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 108 14.319 -4.126 -0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.168 -3.181 0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.190 -4.964 1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 108 16.487 -4.688 -0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.661 -3.089 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.495 -2.298 -0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.207 -2.565 1.598 1.00 0.00 H new ATOM 497 N VAL A 109 11.552 -3.452 0.009 1.00 0.00 N ATOM 498 CA VAL A 109 10.691 -3.564 -1.163 1.00 0.00 C ATOM 499 C VAL A 109 11.508 -3.515 -2.451 1.00 0.00 C ATOM 500 O VAL A 109 12.593 -2.934 -2.490 1.00 0.00 O ATOM 501 CB VAL A 109 9.637 -2.441 -1.194 1.00 0.00 C ATOM 502 CG1 VAL A 109 8.346 -2.903 -0.537 1.00 0.00 C ATOM 503 CG2 VAL A 109 10.171 -1.188 -0.517 1.00 0.00 C ATOM 0 H VAL A 109 12.392 -2.892 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 109 10.184 -4.526 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 109 9.421 -2.199 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.613 -2.097 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.956 -3.769 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.543 -3.175 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.412 -0.406 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.418 -1.412 0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.066 -0.847 -1.037 1.00 0.00 H new ATOM 513 N ASN A 110 10.978 -4.131 -3.503 1.00 0.00 N ATOM 514 CA ASN A 110 11.656 -4.160 -4.794 1.00 0.00 C ATOM 515 C ASN A 110 10.651 -4.281 -5.935 1.00 0.00 C ATOM 516 O ASN A 110 9.663 -5.008 -5.830 1.00 0.00 O ATOM 517 CB ASN A 110 12.646 -5.322 -4.845 1.00 0.00 C ATOM 518 CG ASN A 110 14.086 -4.853 -4.935 1.00 0.00 C ATOM 519 OD1 ASN A 110 14.703 -4.510 -3.927 1.00 0.00 O ATOM 520 ND2 ASN A 110 14.627 -4.836 -6.147 1.00 0.00 N ATOM 0 H ASN A 110 10.081 -4.617 -3.487 1.00 0.00 H new ATOM 0 HA ASN A 110 12.200 -3.223 -4.913 1.00 0.00 H new ATOM 0 HB2 ASN A 110 12.523 -5.939 -3.955 1.00 0.00 H new ATOM 0 HB3 ASN A 110 12.418 -5.952 -5.704 1.00 0.00 H new ATOM 0 HD21 ASN A 110 15.592 -4.530 -6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 110 14.078 -5.129 -6.955 1.00 0.00 H new ATOM 527 N VAL A 111 10.911 -3.565 -7.025 1.00 0.00 N ATOM 528 CA VAL A 111 10.028 -3.593 -8.185 1.00 0.00 C ATOM 529 C VAL A 111 9.458 -4.988 -8.413 1.00 0.00 C ATOM 530 O VAL A 111 10.139 -5.868 -8.940 1.00 0.00 O ATOM 531 CB VAL A 111 10.764 -3.141 -9.461 1.00 0.00 C ATOM 532 CG1 VAL A 111 9.800 -3.070 -10.636 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.446 -1.800 -9.239 1.00 0.00 C ATOM 0 H VAL A 111 11.725 -2.959 -7.129 1.00 0.00 H new ATOM 0 HA VAL A 111 9.213 -2.900 -7.976 1.00 0.00 H new ATOM 0 HB VAL A 111 11.533 -3.878 -9.695 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.337 -2.749 -11.528 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.364 -4.054 -10.809 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.007 -2.356 -10.413 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.960 -1.498 -10.151 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.699 -1.050 -8.978 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.169 -1.889 -8.428 1.00 0.00 H new ATOM 543 N GLY A 112 8.207 -5.184 -8.010 1.00 0.00 N ATOM 544 CA GLY A 112 7.568 -6.476 -8.181 1.00 0.00 C ATOM 545 C GLY A 112 7.125 -7.082 -6.863 1.00 0.00 C ATOM 546 O GLY A 112 6.134 -7.810 -6.810 1.00 0.00 O ATOM 0 H GLY A 112 7.625 -4.472 -7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 112 6.704 -6.367 -8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 112 8.260 -7.157 -8.677 1.00 0.00 H new ATOM 550 N ASP A 113 7.860 -6.781 -5.797 1.00 0.00 N ATOM 551 CA ASP A 113 7.538 -7.302 -4.474 1.00 0.00 C ATOM 552 C ASP A 113 6.159 -6.830 -4.025 1.00 0.00 C ATOM 553 O ASP A 113 5.901 -5.630 -3.938 1.00 0.00 O ATOM 554 CB ASP A 113 8.595 -6.864 -3.461 1.00 0.00 C ATOM 555 CG ASP A 113 9.419 -8.027 -2.947 1.00 0.00 C ATOM 556 OD1 ASP A 113 8.949 -8.726 -2.024 1.00 0.00 O ATOM 557 OD2 ASP A 113 10.535 -8.240 -3.466 1.00 0.00 O ATOM 0 H ASP A 113 8.683 -6.179 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 113 7.528 -8.390 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.256 -6.130 -3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.107 -6.369 -2.622 1.00 0.00 H new ATOM 562 N THR A 114 5.277 -7.785 -3.744 1.00 0.00 N ATOM 563 CA THR A 114 3.920 -7.474 -3.305 1.00 0.00 C ATOM 564 C THR A 114 3.891 -6.205 -2.459 1.00 0.00 C ATOM 565 O THR A 114 4.887 -5.838 -1.836 1.00 0.00 O ATOM 566 CB THR A 114 3.339 -8.644 -2.508 1.00 0.00 C ATOM 567 OG1 THR A 114 4.154 -9.795 -2.643 1.00 0.00 O ATOM 568 CG2 THR A 114 1.937 -9.022 -2.936 1.00 0.00 C ATOM 0 H THR A 114 5.478 -8.783 -3.813 1.00 0.00 H new ATOM 0 HA THR A 114 3.311 -7.307 -4.193 1.00 0.00 H new ATOM 0 HB THR A 114 3.306 -8.302 -1.474 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.768 -10.532 -2.125 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.585 -9.858 -2.331 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.272 -8.169 -2.799 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.943 -9.312 -3.987 1.00 0.00 H new ATOM 576 N LEU A 115 2.740 -5.541 -2.443 1.00 0.00 N ATOM 577 CA LEU A 115 2.574 -4.312 -1.675 1.00 0.00 C ATOM 578 C LEU A 115 1.513 -4.488 -0.593 1.00 0.00 C ATOM 579 O LEU A 115 1.834 -4.636 0.587 1.00 0.00 O ATOM 580 CB LEU A 115 2.188 -3.157 -2.603 1.00 0.00 C ATOM 581 CG LEU A 115 2.059 -1.793 -1.923 1.00 0.00 C ATOM 582 CD1 LEU A 115 3.278 -0.932 -2.218 1.00 0.00 C ATOM 583 CD2 LEU A 115 0.787 -1.093 -2.375 1.00 0.00 C ATOM 0 H LEU A 115 1.907 -5.834 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 115 3.524 -4.080 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 115 2.934 -3.082 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.239 -3.398 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 115 2.002 -1.948 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.168 0.035 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.174 -1.429 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.367 -0.783 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.710 -0.124 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.815 -0.949 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.077 -1.703 -2.112 1.00 0.00 H new ATOM 595 N CYS A 116 0.248 -4.474 -1.003 1.00 0.00 N ATOM 596 CA CYS A 116 -0.861 -4.634 -0.068 1.00 0.00 C ATOM 597 C CYS A 116 -2.198 -4.652 -0.804 1.00 0.00 C ATOM 598 O CYS A 116 -2.301 -4.181 -1.937 1.00 0.00 O ATOM 599 CB CYS A 116 -0.851 -3.509 0.968 1.00 0.00 C ATOM 600 SG CYS A 116 -0.777 -1.850 0.254 1.00 0.00 S ATOM 0 H CYS A 116 -0.034 -4.354 -1.976 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.736 -5.589 0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -1.747 -3.588 1.584 1.00 0.00 H new ATOM 0 HB3 CYS A 116 0.004 -3.647 1.630 1.00 0.00 H new ATOM 0 HG CYS A 116 -1.578 -1.061 0.907 1.00 0.00 H new ATOM 606 N ILE A 117 -3.221 -5.200 -0.153 1.00 0.00 N ATOM 607 CA ILE A 117 -4.550 -5.279 -0.747 1.00 0.00 C ATOM 608 C ILE A 117 -5.314 -3.971 -0.568 1.00 0.00 C ATOM 609 O ILE A 117 -5.202 -3.309 0.464 1.00 0.00 O ATOM 610 CB ILE A 117 -5.376 -6.430 -0.138 1.00 0.00 C ATOM 611 CG1 ILE A 117 -4.796 -7.781 -0.555 1.00 0.00 C ATOM 612 CG2 ILE A 117 -6.832 -6.323 -0.567 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.698 -8.776 0.582 1.00 0.00 C ATOM 0 H ILE A 117 -3.154 -5.595 0.785 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.406 -5.470 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.328 -6.353 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.416 -8.205 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.803 -7.626 -0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.402 -7.143 -0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.243 -5.373 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.896 -6.377 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.278 -9.711 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.054 -8.373 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.692 -8.961 0.990 1.00 0.00 H new ATOM 625 N VAL A 118 -6.094 -3.607 -1.581 1.00 0.00 N ATOM 626 CA VAL A 118 -6.882 -2.382 -1.541 1.00 0.00 C ATOM 627 C VAL A 118 -8.345 -2.687 -1.239 1.00 0.00 C ATOM 628 O VAL A 118 -9.103 -1.807 -0.830 1.00 0.00 O ATOM 629 CB VAL A 118 -6.796 -1.612 -2.872 1.00 0.00 C ATOM 630 CG1 VAL A 118 -7.246 -0.172 -2.687 1.00 0.00 C ATOM 631 CG2 VAL A 118 -5.384 -1.671 -3.433 1.00 0.00 C ATOM 0 H VAL A 118 -6.197 -4.145 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.466 -1.762 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.466 -2.087 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.178 0.356 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.278 -0.155 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.605 0.318 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.343 -1.121 -4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -4.691 -1.224 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.105 -2.710 -3.607 1.00 0.00 H new ATOM 641 N GLU A 119 -8.734 -3.942 -1.445 1.00 0.00 N ATOM 642 CA GLU A 119 -10.106 -4.368 -1.197 1.00 0.00 C ATOM 643 C GLU A 119 -11.094 -3.267 -1.563 1.00 0.00 C ATOM 644 O GLU A 119 -11.879 -2.820 -0.726 1.00 0.00 O ATOM 645 CB GLU A 119 -10.281 -4.761 0.271 1.00 0.00 C ATOM 646 CG GLU A 119 -11.700 -5.179 0.624 1.00 0.00 C ATOM 647 CD GLU A 119 -12.128 -4.686 1.992 1.00 0.00 C ATOM 648 OE1 GLU A 119 -11.898 -5.411 2.983 1.00 0.00 O ATOM 649 OE2 GLU A 119 -12.694 -3.576 2.073 1.00 0.00 O ATOM 0 H GLU A 119 -8.118 -4.681 -1.783 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.310 -5.235 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.601 -5.581 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -9.992 -3.920 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.387 -4.793 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.773 -6.266 0.594 1.00 0.00 H new ATOM 656 N ALA A 120 -11.051 -2.835 -2.818 1.00 0.00 N ATOM 657 CA ALA A 120 -11.945 -1.786 -3.295 1.00 0.00 C ATOM 658 C ALA A 120 -13.280 -2.365 -3.753 1.00 0.00 C ATOM 659 O ALA A 120 -14.211 -1.626 -4.070 1.00 0.00 O ATOM 660 CB ALA A 120 -11.289 -1.008 -4.426 1.00 0.00 C ATOM 0 H ALA A 120 -10.407 -3.194 -3.523 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.141 -1.106 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.967 -0.228 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.366 -0.553 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.063 -1.685 -5.250 1.00 0.00 H new ATOM 666 N MET A 121 -13.365 -3.692 -3.785 1.00 0.00 N ATOM 667 CA MET A 121 -14.587 -4.369 -4.203 1.00 0.00 C ATOM 668 C MET A 121 -14.499 -5.867 -3.932 1.00 0.00 C ATOM 669 O MET A 121 -15.097 -6.673 -4.645 1.00 0.00 O ATOM 670 CB MET A 121 -14.848 -4.122 -5.691 1.00 0.00 C ATOM 671 CG MET A 121 -13.956 -4.941 -6.610 1.00 0.00 C ATOM 672 SD MET A 121 -14.268 -4.610 -8.354 1.00 0.00 S ATOM 673 CE MET A 121 -13.610 -6.097 -9.105 1.00 0.00 C ATOM 0 H MET A 121 -12.603 -4.319 -3.527 1.00 0.00 H new ATOM 0 HA MET A 121 -15.415 -3.962 -3.623 1.00 0.00 H new ATOM 0 HB2 MET A 121 -15.891 -4.351 -5.911 1.00 0.00 H new ATOM 0 HB3 MET A 121 -14.702 -3.063 -5.906 1.00 0.00 H new ATOM 0 HG2 MET A 121 -12.912 -4.725 -6.384 1.00 0.00 H new ATOM 0 HG3 MET A 121 -14.112 -6.001 -6.412 1.00 0.00 H new ATOM 0 HE1 MET A 121 -13.887 -6.125 -10.159 1.00 0.00 H new ATOM 0 HE2 MET A 121 -12.524 -6.100 -9.015 1.00 0.00 H new ATOM 0 HE3 MET A 121 -14.019 -6.972 -8.599 1.00 0.00 H new ATOM 683 N LYS A 122 -13.749 -6.233 -2.898 1.00 0.00 N ATOM 684 CA LYS A 122 -13.583 -7.635 -2.533 1.00 0.00 C ATOM 685 C LYS A 122 -12.718 -8.364 -3.556 1.00 0.00 C ATOM 686 O LYS A 122 -12.656 -9.594 -3.567 1.00 0.00 O ATOM 687 CB LYS A 122 -14.946 -8.320 -2.419 1.00 0.00 C ATOM 688 CG LYS A 122 -14.936 -9.549 -1.524 1.00 0.00 C ATOM 689 CD LYS A 122 -14.198 -9.284 -0.223 1.00 0.00 C ATOM 690 CE LYS A 122 -14.709 -8.026 0.461 1.00 0.00 C ATOM 691 NZ LYS A 122 -14.080 -7.816 1.762 1.00 0.00 N ATOM 0 H LYS A 122 -13.247 -5.579 -2.298 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.083 -7.676 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.672 -7.605 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.283 -8.609 -3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.961 -9.851 -1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -14.463 -10.379 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.318 -10.137 0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.131 -9.183 -0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.518 -7.163 -0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -15.789 -8.096 0.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -14.754 -7.349 2.402 1.00 0.00 H new ATOM 702 N MET A 123 -12.056 -7.599 -4.416 1.00 0.00 N ATOM 703 CA MET A 123 -11.195 -8.171 -5.444 1.00 0.00 C ATOM 704 C MET A 123 -9.766 -8.337 -4.935 1.00 0.00 C ATOM 705 O MET A 123 -8.869 -8.716 -5.688 1.00 0.00 O ATOM 706 CB MET A 123 -11.203 -7.289 -6.695 1.00 0.00 C ATOM 707 CG MET A 123 -10.195 -6.151 -6.645 1.00 0.00 C ATOM 708 SD MET A 123 -10.581 -4.938 -5.367 1.00 0.00 S ATOM 709 CE MET A 123 -9.766 -3.483 -6.021 1.00 0.00 C ATOM 0 H MET A 123 -12.099 -6.580 -4.422 1.00 0.00 H new ATOM 0 HA MET A 123 -11.585 -9.157 -5.698 1.00 0.00 H new ATOM 0 HB2 MET A 123 -10.996 -7.909 -7.567 1.00 0.00 H new ATOM 0 HB3 MET A 123 -12.201 -6.873 -6.830 1.00 0.00 H new ATOM 0 HG2 MET A 123 -9.200 -6.559 -6.465 1.00 0.00 H new ATOM 0 HG3 MET A 123 -10.165 -5.654 -7.615 1.00 0.00 H new ATOM 0 HE1 MET A 123 -9.131 -3.045 -5.251 1.00 0.00 H new ATOM 0 HE2 MET A 123 -9.156 -3.763 -6.880 1.00 0.00 H new ATOM 0 HE3 MET A 123 -10.515 -2.755 -6.331 1.00 0.00 H new ATOM 719 N MET A 124 -9.560 -8.052 -3.653 1.00 0.00 N ATOM 720 CA MET A 124 -8.241 -8.171 -3.046 1.00 0.00 C ATOM 721 C MET A 124 -7.159 -7.660 -3.991 1.00 0.00 C ATOM 722 O MET A 124 -6.074 -8.236 -4.078 1.00 0.00 O ATOM 723 CB MET A 124 -7.959 -9.625 -2.666 1.00 0.00 C ATOM 724 CG MET A 124 -8.992 -10.216 -1.719 1.00 0.00 C ATOM 725 SD MET A 124 -9.148 -9.276 -0.188 1.00 0.00 S ATOM 726 CE MET A 124 -10.753 -9.826 0.385 1.00 0.00 C ATOM 0 H MET A 124 -10.291 -7.737 -3.015 1.00 0.00 H new ATOM 0 HA MET A 124 -8.228 -7.559 -2.144 1.00 0.00 H new ATOM 0 HB2 MET A 124 -7.922 -10.229 -3.573 1.00 0.00 H new ATOM 0 HB3 MET A 124 -6.975 -9.687 -2.202 1.00 0.00 H new ATOM 0 HG2 MET A 124 -9.960 -10.251 -2.219 1.00 0.00 H new ATOM 0 HG3 MET A 124 -8.717 -11.244 -1.483 1.00 0.00 H new ATOM 0 HE1 MET A 124 -11.307 -8.977 0.785 1.00 0.00 H new ATOM 0 HE2 MET A 124 -11.307 -10.261 -0.447 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.623 -10.575 1.166 1.00 0.00 H new ATOM 736 N ASN A 125 -7.457 -6.571 -4.692 1.00 0.00 N ATOM 737 CA ASN A 125 -6.504 -5.980 -5.625 1.00 0.00 C ATOM 738 C ASN A 125 -5.223 -5.587 -4.899 1.00 0.00 C ATOM 739 O ASN A 125 -5.023 -4.421 -4.559 1.00 0.00 O ATOM 740 CB ASN A 125 -7.117 -4.756 -6.308 1.00 0.00 C ATOM 741 CG ASN A 125 -6.215 -4.180 -7.381 1.00 0.00 C ATOM 742 OD1 ASN A 125 -5.270 -4.829 -7.829 1.00 0.00 O ATOM 743 ND2 ASN A 125 -6.503 -2.953 -7.799 1.00 0.00 N ATOM 0 H ASN A 125 -8.349 -6.080 -4.632 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.261 -6.722 -6.386 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -8.074 -5.032 -6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -7.321 -3.990 -5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -5.931 -2.512 -8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -7.296 -2.451 -7.400 1.00 0.00 H new ATOM 750 N GLN A 126 -4.362 -6.568 -4.660 1.00 0.00 N ATOM 751 CA GLN A 126 -3.104 -6.328 -3.964 1.00 0.00 C ATOM 752 C GLN A 126 -2.024 -5.840 -4.922 1.00 0.00 C ATOM 753 O GLN A 126 -1.622 -6.553 -5.842 1.00 0.00 O ATOM 754 CB GLN A 126 -2.641 -7.602 -3.256 1.00 0.00 C ATOM 755 CG GLN A 126 -2.050 -8.641 -4.196 1.00 0.00 C ATOM 756 CD GLN A 126 -2.164 -10.051 -3.650 1.00 0.00 C ATOM 757 OE1 GLN A 126 -3.158 -10.405 -3.016 1.00 0.00 O ATOM 758 NE2 GLN A 126 -1.143 -10.864 -3.894 1.00 0.00 N ATOM 0 H GLN A 126 -4.512 -7.538 -4.938 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.275 -5.547 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.897 -7.340 -2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.487 -8.042 -2.728 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -2.558 -8.586 -5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.000 -8.408 -4.376 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -0.339 -10.528 -4.424 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -1.163 -11.825 -3.551 1.00 0.00 H new ATOM 767 N ILE A 127 -1.554 -4.618 -4.691 1.00 0.00 N ATOM 768 CA ILE A 127 -0.515 -4.024 -5.522 1.00 0.00 C ATOM 769 C ILE A 127 0.856 -4.574 -5.146 1.00 0.00 C ATOM 770 O ILE A 127 1.013 -5.211 -4.105 1.00 0.00 O ATOM 771 CB ILE A 127 -0.496 -2.490 -5.376 1.00 0.00 C ATOM 772 CG1 ILE A 127 -1.912 -1.925 -5.512 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.431 -1.869 -6.410 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.615 -2.349 -6.783 1.00 0.00 C ATOM 0 H ILE A 127 -1.878 -4.019 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 127 -0.740 -4.282 -6.557 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.119 -2.240 -4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.505 -2.244 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.864 -0.837 -5.479 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.433 -0.785 -6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.442 -2.251 -6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.083 -2.125 -7.411 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.613 -1.911 -6.810 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -2.044 -2.006 -7.646 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.695 -3.436 -6.809 1.00 0.00 H new ATOM 786 N GLU A 128 1.848 -4.325 -5.996 1.00 0.00 N ATOM 787 CA GLU A 128 3.204 -4.799 -5.743 1.00 0.00 C ATOM 788 C GLU A 128 4.208 -3.654 -5.856 1.00 0.00 C ATOM 789 O GLU A 128 4.191 -2.893 -6.822 1.00 0.00 O ATOM 790 CB GLU A 128 3.568 -5.922 -6.718 1.00 0.00 C ATOM 791 CG GLU A 128 4.175 -5.430 -8.022 1.00 0.00 C ATOM 792 CD GLU A 128 3.796 -6.301 -9.205 1.00 0.00 C ATOM 793 OE1 GLU A 128 2.629 -6.742 -9.268 1.00 0.00 O ATOM 794 OE2 GLU A 128 4.667 -6.541 -10.067 1.00 0.00 O ATOM 0 H GLU A 128 1.739 -3.799 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 128 3.244 -5.191 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.272 -6.598 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 128 2.672 -6.501 -6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.847 -4.407 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.261 -5.405 -7.927 1.00 0.00 H new ATOM 801 N ALA A 129 5.079 -3.539 -4.858 1.00 0.00 N ATOM 802 CA ALA A 129 6.088 -2.487 -4.842 1.00 0.00 C ATOM 803 C ALA A 129 6.641 -2.233 -6.240 1.00 0.00 C ATOM 804 O ALA A 129 7.427 -3.025 -6.761 1.00 0.00 O ATOM 805 CB ALA A 129 7.213 -2.851 -3.885 1.00 0.00 C ATOM 0 H ALA A 129 5.106 -4.161 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 129 5.614 -1.568 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.960 -2.057 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.810 -2.973 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.676 -3.784 -4.206 1.00 0.00 H new ATOM 811 N ASP A 130 6.228 -1.123 -6.840 1.00 0.00 N ATOM 812 CA ASP A 130 6.684 -0.761 -8.177 1.00 0.00 C ATOM 813 C ASP A 130 8.102 -0.203 -8.133 1.00 0.00 C ATOM 814 O ASP A 130 8.884 -0.393 -9.066 1.00 0.00 O ATOM 815 CB ASP A 130 5.737 0.267 -8.799 1.00 0.00 C ATOM 816 CG ASP A 130 5.453 1.428 -7.865 1.00 0.00 C ATOM 817 OD1 ASP A 130 4.704 1.232 -6.885 1.00 0.00 O ATOM 818 OD2 ASP A 130 5.979 2.533 -8.113 1.00 0.00 O ATOM 0 H ASP A 130 5.578 -0.458 -6.422 1.00 0.00 H new ATOM 0 HA ASP A 130 6.686 -1.661 -8.792 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.172 0.646 -9.724 1.00 0.00 H new ATOM 0 HB3 ASP A 130 4.799 -0.221 -9.065 1.00 0.00 H new ATOM 823 N LYS A 131 8.427 0.483 -7.043 1.00 0.00 N ATOM 824 CA LYS A 131 9.752 1.068 -6.874 1.00 0.00 C ATOM 825 C LYS A 131 10.456 0.475 -5.658 1.00 0.00 C ATOM 826 O LYS A 131 9.895 0.432 -4.563 1.00 0.00 O ATOM 827 CB LYS A 131 9.646 2.588 -6.725 1.00 0.00 C ATOM 828 CG LYS A 131 10.399 3.358 -7.798 1.00 0.00 C ATOM 829 CD LYS A 131 9.516 4.407 -8.453 1.00 0.00 C ATOM 830 CE LYS A 131 9.090 3.984 -9.849 1.00 0.00 C ATOM 831 NZ LYS A 131 7.875 3.125 -9.823 1.00 0.00 N ATOM 0 H LYS A 131 7.791 0.648 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 131 10.341 0.837 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.595 2.875 -6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 131 10.029 2.876 -5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 131 11.272 3.839 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 131 10.766 2.665 -8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 131 8.632 4.576 -7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 131 10.053 5.354 -8.507 1.00 0.00 H new ATOM 0 HE2 LYS A 131 8.895 4.870 -10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.906 3.444 -10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 8.119 2.169 -10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 7.507 3.074 -8.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 7.149 3.531 -10.448 1.00 0.00 H new ATOM 845 N SER A 132 11.686 0.016 -5.859 1.00 0.00 N ATOM 846 CA SER A 132 12.467 -0.578 -4.779 1.00 0.00 C ATOM 847 C SER A 132 12.689 0.424 -3.653 1.00 0.00 C ATOM 848 O SER A 132 12.159 1.534 -3.682 1.00 0.00 O ATOM 849 CB SER A 132 13.813 -1.074 -5.310 1.00 0.00 C ATOM 850 OG SER A 132 13.643 -1.881 -6.462 1.00 0.00 O ATOM 0 H SER A 132 12.164 0.044 -6.759 1.00 0.00 H new ATOM 0 HA SER A 132 11.907 -1.424 -4.381 1.00 0.00 H new ATOM 0 HB2 SER A 132 14.449 -0.222 -5.550 1.00 0.00 H new ATOM 0 HB3 SER A 132 14.325 -1.645 -4.535 1.00 0.00 H new ATOM 0 HG SER A 132 14.519 -2.183 -6.782 1.00 0.00 H new ATOM 856 N GLY A 133 13.476 0.024 -2.659 1.00 0.00 N ATOM 857 CA GLY A 133 13.755 0.898 -1.536 1.00 0.00 C ATOM 858 C GLY A 133 13.217 0.349 -0.228 1.00 0.00 C ATOM 859 O GLY A 133 13.253 -0.858 0.007 1.00 0.00 O ATOM 0 H GLY A 133 13.925 -0.890 -2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 133 14.832 1.043 -1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 133 13.316 1.878 -1.724 1.00 0.00 H new ATOM 863 N THR A 134 12.719 1.239 0.624 1.00 0.00 N ATOM 864 CA THR A 134 12.173 0.836 1.914 1.00 0.00 C ATOM 865 C THR A 134 10.984 1.711 2.298 1.00 0.00 C ATOM 866 O THR A 134 11.095 2.935 2.358 1.00 0.00 O ATOM 867 CB THR A 134 13.250 0.918 2.997 1.00 0.00 C ATOM 868 OG1 THR A 134 14.158 -0.164 2.884 1.00 0.00 O ATOM 869 CG2 THR A 134 12.690 0.903 4.402 1.00 0.00 C ATOM 0 H THR A 134 12.682 2.242 0.445 1.00 0.00 H new ATOM 0 HA THR A 134 11.831 -0.196 1.829 1.00 0.00 H new ATOM 0 HB THR A 134 13.750 1.873 2.834 1.00 0.00 H new ATOM 0 HG1 THR A 134 13.965 -0.669 2.066 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.508 0.964 5.120 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.024 1.755 4.537 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.134 -0.021 4.562 1.00 0.00 H new ATOM 877 N VAL A 135 9.846 1.074 2.557 1.00 0.00 N ATOM 878 CA VAL A 135 8.638 1.793 2.936 1.00 0.00 C ATOM 879 C VAL A 135 8.922 2.791 4.054 1.00 0.00 C ATOM 880 O VAL A 135 9.273 2.405 5.169 1.00 0.00 O ATOM 881 CB VAL A 135 7.529 0.828 3.395 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.268 1.596 3.761 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.239 -0.204 2.316 1.00 0.00 C ATOM 0 H VAL A 135 9.737 0.061 2.511 1.00 0.00 H new ATOM 0 HA VAL A 135 8.298 2.329 2.050 1.00 0.00 H new ATOM 0 HB VAL A 135 7.876 0.303 4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.496 0.896 4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.488 2.292 4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 135 5.915 2.151 2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.453 -0.877 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 135 6.913 0.302 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 135 8.143 -0.777 2.109 1.00 0.00 H new ATOM 893 N LYS A 136 8.767 4.075 3.748 1.00 0.00 N ATOM 894 CA LYS A 136 9.007 5.127 4.728 1.00 0.00 C ATOM 895 C LYS A 136 7.930 5.121 5.807 1.00 0.00 C ATOM 896 O LYS A 136 8.231 5.189 6.999 1.00 0.00 O ATOM 897 CB LYS A 136 9.049 6.494 4.041 1.00 0.00 C ATOM 898 CG LYS A 136 10.055 7.454 4.654 1.00 0.00 C ATOM 899 CD LYS A 136 11.420 6.805 4.815 1.00 0.00 C ATOM 900 CE LYS A 136 11.796 6.657 6.281 1.00 0.00 C ATOM 901 NZ LYS A 136 12.597 5.427 6.527 1.00 0.00 N ATOM 0 H LYS A 136 8.477 4.411 2.830 1.00 0.00 H new ATOM 0 HA LYS A 136 9.971 4.936 5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.289 6.354 2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.057 6.944 4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.144 8.339 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 136 9.694 7.789 5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 136 11.417 5.825 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 136 12.172 7.406 4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 136 12.365 7.530 6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 136 10.890 6.628 6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 12.833 5.363 7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 12.045 4.591 6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 13.474 5.466 5.969 1.00 0.00 H new ATOM 915 N ALA A 137 6.674 5.039 5.382 1.00 0.00 N ATOM 916 CA ALA A 137 5.553 5.025 6.314 1.00 0.00 C ATOM 917 C ALA A 137 4.221 4.948 5.576 1.00 0.00 C ATOM 918 O ALA A 137 4.184 4.811 4.353 1.00 0.00 O ATOM 919 CB ALA A 137 5.593 6.256 7.205 1.00 0.00 C ATOM 0 H ALA A 137 6.407 4.981 4.399 1.00 0.00 H new ATOM 0 HA ALA A 137 5.644 4.135 6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.750 6.233 7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.525 6.266 7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.532 7.153 6.589 1.00 0.00 H new ATOM 925 N ILE A 138 3.129 5.038 6.327 1.00 0.00 N ATOM 926 CA ILE A 138 1.793 4.980 5.747 1.00 0.00 C ATOM 927 C ILE A 138 0.929 6.135 6.244 1.00 0.00 C ATOM 928 O ILE A 138 1.141 6.653 7.340 1.00 0.00 O ATOM 929 CB ILE A 138 1.094 3.648 6.079 1.00 0.00 C ATOM 930 CG1 ILE A 138 1.788 2.490 5.360 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.377 3.711 5.696 1.00 0.00 C ATOM 932 CD1 ILE A 138 1.028 1.185 5.443 1.00 0.00 C ATOM 0 H ILE A 138 3.143 5.152 7.341 1.00 0.00 H new ATOM 0 HA ILE A 138 1.912 5.058 4.666 1.00 0.00 H new ATOM 0 HB ILE A 138 1.162 3.477 7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.926 2.755 4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.781 2.351 5.787 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.857 2.762 5.937 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.863 4.514 6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.467 3.902 4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.579 0.409 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.912 0.897 6.488 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.044 1.307 4.989 1.00 0.00 H new ATOM 944 N LEU A 139 -0.045 6.532 5.432 1.00 0.00 N ATOM 945 CA LEU A 139 -0.941 7.625 5.791 1.00 0.00 C ATOM 946 C LEU A 139 -2.391 7.152 5.829 1.00 0.00 C ATOM 947 O LEU A 139 -3.153 7.523 6.722 1.00 0.00 O ATOM 948 CB LEU A 139 -0.795 8.781 4.798 1.00 0.00 C ATOM 949 CG LEU A 139 0.636 9.054 4.332 1.00 0.00 C ATOM 950 CD1 LEU A 139 0.728 10.420 3.667 1.00 0.00 C ATOM 951 CD2 LEU A 139 1.602 8.962 5.502 1.00 0.00 C ATOM 0 H LEU A 139 -0.234 6.113 4.521 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.666 7.973 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -1.412 8.570 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.191 9.687 5.257 1.00 0.00 H new ATOM 0 HG LEU A 139 0.912 8.296 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.753 10.598 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.063 10.450 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.434 11.192 4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.616 9.159 5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.329 9.698 6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 139 1.555 7.963 5.935 1.00 0.00 H new ATOM 963 N VAL A 140 -2.766 6.332 4.854 1.00 0.00 N ATOM 964 CA VAL A 140 -4.124 5.810 4.776 1.00 0.00 C ATOM 965 C VAL A 140 -4.551 5.190 6.101 1.00 0.00 C ATOM 966 O VAL A 140 -5.578 5.563 6.669 1.00 0.00 O ATOM 967 CB VAL A 140 -4.261 4.755 3.662 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.606 4.053 3.753 1.00 0.00 C ATOM 969 CG2 VAL A 140 -4.075 5.396 2.295 1.00 0.00 C ATOM 0 H VAL A 140 -2.148 6.015 4.107 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.773 6.655 4.546 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.479 4.007 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.684 3.312 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.694 3.558 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.406 4.785 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -4.175 4.636 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.832 6.166 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.084 5.846 2.236 1.00 0.00 H new ATOM 979 N GLU A 141 -3.758 4.241 6.588 1.00 0.00 N ATOM 980 CA GLU A 141 -4.056 3.568 7.847 1.00 0.00 C ATOM 981 C GLU A 141 -5.013 2.404 7.621 1.00 0.00 C ATOM 982 O GLU A 141 -6.224 2.594 7.513 1.00 0.00 O ATOM 983 CB GLU A 141 -4.659 4.554 8.848 1.00 0.00 C ATOM 984 CG GLU A 141 -3.966 5.906 8.863 1.00 0.00 C ATOM 985 CD GLU A 141 -3.301 6.206 10.192 1.00 0.00 C ATOM 986 OE1 GLU A 141 -3.322 5.327 11.079 1.00 0.00 O ATOM 987 OE2 GLU A 141 -2.757 7.320 10.346 1.00 0.00 O ATOM 0 H GLU A 141 -2.905 3.921 6.130 1.00 0.00 H new ATOM 0 HA GLU A 141 -3.123 3.178 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -5.714 4.698 8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -4.612 4.120 9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -3.217 5.935 8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -4.694 6.686 8.641 1.00 0.00 H new ATOM 994 N SER A 142 -4.460 1.199 7.546 1.00 0.00 N ATOM 995 CA SER A 142 -5.263 0.002 7.329 1.00 0.00 C ATOM 996 C SER A 142 -6.593 0.099 8.073 1.00 0.00 C ATOM 997 O SER A 142 -6.732 0.885 9.012 1.00 0.00 O ATOM 998 CB SER A 142 -4.495 -1.238 7.786 1.00 0.00 C ATOM 999 OG SER A 142 -5.381 -2.283 8.148 1.00 0.00 O ATOM 0 H SER A 142 -3.459 1.025 7.632 1.00 0.00 H new ATOM 0 HA SER A 142 -5.471 -0.082 6.262 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.836 -1.577 6.986 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.861 -0.984 8.635 1.00 0.00 H new ATOM 0 HG SER A 142 -4.865 -3.065 8.435 1.00 0.00 H new ATOM 1005 N GLY A 143 -7.571 -0.698 7.651 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.873 -0.675 8.294 1.00 0.00 C ATOM 1007 C GLY A 143 -9.656 0.581 7.966 1.00 0.00 C ATOM 1008 O GLY A 143 -10.772 0.770 8.450 1.00 0.00 O ATOM 0 H GLY A 143 -7.485 -1.357 6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -9.445 -1.549 7.982 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.744 -0.748 9.374 1.00 0.00 H new ATOM 1012 N GLN A 144 -9.069 1.443 7.141 1.00 0.00 N ATOM 1013 CA GLN A 144 -9.715 2.689 6.746 1.00 0.00 C ATOM 1014 C GLN A 144 -9.895 2.747 5.232 1.00 0.00 C ATOM 1015 O GLN A 144 -8.952 2.516 4.475 1.00 0.00 O ATOM 1016 CB GLN A 144 -8.891 3.887 7.220 1.00 0.00 C ATOM 1017 CG GLN A 144 -9.637 5.209 7.142 1.00 0.00 C ATOM 1018 CD GLN A 144 -9.465 5.897 5.802 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -10.438 6.322 5.179 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -8.221 6.013 5.352 1.00 0.00 N ATOM 0 H GLN A 144 -8.145 1.300 6.733 1.00 0.00 H new ATOM 0 HA GLN A 144 -10.698 2.727 7.214 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -8.577 3.717 8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -7.985 3.955 6.618 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -10.698 5.035 7.323 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -9.283 5.869 7.933 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -7.444 5.646 5.901 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -8.043 6.469 4.457 1.00 0.00 H new ATOM 1029 N PRO A 145 -11.116 3.056 4.774 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.428 3.143 3.346 1.00 0.00 C ATOM 1031 C PRO A 145 -10.832 4.386 2.694 1.00 0.00 C ATOM 1032 O PRO A 145 -11.138 5.512 3.086 1.00 0.00 O ATOM 1033 CB PRO A 145 -12.955 3.207 3.323 1.00 0.00 C ATOM 1034 CG PRO A 145 -13.326 3.812 4.633 1.00 0.00 C ATOM 1035 CD PRO A 145 -12.290 3.341 5.618 1.00 0.00 C ATOM 0 HA PRO A 145 -11.013 2.305 2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.314 3.813 2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -13.392 2.215 3.207 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -13.338 4.900 4.570 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -14.325 3.499 4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -12.071 4.104 6.365 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -12.622 2.453 6.156 1.00 0.00 H new ATOM 1043 N VAL A 146 -9.983 4.175 1.693 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.348 5.279 0.983 1.00 0.00 C ATOM 1045 C VAL A 146 -10.377 6.086 0.198 1.00 0.00 C ATOM 1046 O VAL A 146 -11.522 5.662 0.042 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.260 4.774 0.017 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.180 4.019 0.776 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -8.873 3.899 -1.066 1.00 0.00 C ATOM 0 H VAL A 146 -9.719 3.249 1.355 1.00 0.00 H new ATOM 0 HA VAL A 146 -8.884 5.917 1.735 1.00 0.00 H new ATOM 0 HB VAL A 146 -7.797 5.636 -0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -6.420 3.670 0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -6.721 4.681 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -7.624 3.164 1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -8.090 3.551 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -9.364 3.041 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -9.606 4.477 -1.629 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.963 7.250 -0.292 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.855 8.112 -1.059 1.00 0.00 C ATOM 1061 C GLU A 147 -10.067 9.037 -1.982 1.00 0.00 C ATOM 1062 O GLU A 147 -9.714 10.153 -1.603 1.00 0.00 O ATOM 1063 CB GLU A 147 -11.730 8.939 -0.116 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.000 9.414 1.129 1.00 0.00 C ATOM 1065 CD GLU A 147 -11.871 10.275 2.024 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -12.653 9.707 2.816 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -11.772 11.516 1.932 1.00 0.00 O ATOM 0 H GLU A 147 -9.019 7.617 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.491 7.476 -1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -12.113 9.805 -0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -12.592 8.343 0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -10.650 8.549 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -10.117 9.981 0.834 1.00 0.00 H new ATOM 1074 N PHE A 148 -9.801 8.566 -3.196 1.00 0.00 N ATOM 1075 CA PHE A 148 -9.060 9.352 -4.176 1.00 0.00 C ATOM 1076 C PHE A 148 -7.689 9.752 -3.638 1.00 0.00 C ATOM 1077 O PHE A 148 -7.576 10.278 -2.531 1.00 0.00 O ATOM 1078 CB PHE A 148 -9.850 10.600 -4.559 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.702 10.987 -6.001 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -10.266 10.206 -7.004 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -8.999 12.132 -6.359 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -10.132 10.561 -8.338 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -8.861 12.492 -7.691 1.00 0.00 C ATOM 1084 CZ PHE A 148 -9.429 11.704 -8.681 1.00 0.00 C ATOM 0 H PHE A 148 -10.088 7.644 -3.525 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.914 8.733 -5.061 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.905 10.432 -4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -9.525 11.431 -3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -10.814 9.313 -6.741 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -8.555 12.748 -5.591 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -10.575 9.947 -9.108 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -8.313 13.384 -7.957 1.00 0.00 H new ATOM 0 HZ PHE A 148 -9.323 11.982 -9.719 1.00 0.00 H new ATOM 1094 N ASP A 149 -6.652 9.501 -4.431 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.287 9.837 -4.039 1.00 0.00 C ATOM 1096 C ASP A 149 -5.089 9.657 -2.538 1.00 0.00 C ATOM 1097 O ASP A 149 -5.102 10.627 -1.780 1.00 0.00 O ATOM 1098 CB ASP A 149 -4.960 11.277 -4.440 1.00 0.00 C ATOM 1099 CG ASP A 149 -4.917 11.464 -5.943 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -4.382 10.574 -6.636 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -5.417 12.502 -6.427 1.00 0.00 O ATOM 0 H ASP A 149 -6.731 9.066 -5.350 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.610 9.159 -4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -5.706 11.948 -4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -3.997 11.560 -4.014 1.00 0.00 H new ATOM 1106 N GLU A 150 -4.906 8.411 -2.116 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.705 8.106 -0.704 1.00 0.00 C ATOM 1108 C GLU A 150 -3.387 7.368 -0.489 1.00 0.00 C ATOM 1109 O GLU A 150 -3.274 6.178 -0.783 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.868 7.266 -0.173 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.685 7.967 0.900 1.00 0.00 C ATOM 1112 CD GLU A 150 -5.820 8.602 1.970 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -5.301 9.713 1.733 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -5.661 7.988 3.047 1.00 0.00 O ATOM 0 H GLU A 150 -4.893 7.597 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.666 9.047 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.524 7.003 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.476 6.333 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -7.305 8.735 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -7.361 7.249 1.364 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.371 8.074 0.028 1.00 0.00 N ATOM 1122 CA PRO A 151 -1.052 7.491 0.287 1.00 0.00 C ATOM 1123 C PRO A 151 -1.138 6.168 1.041 1.00 0.00 C ATOM 1124 O PRO A 151 -1.096 6.139 2.270 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.362 8.553 1.143 1.00 0.00 C ATOM 1126 CG PRO A 151 -1.007 9.835 0.745 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.433 9.498 0.402 1.00 0.00 C ATOM 0 HA PRO A 151 -0.521 7.254 -0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -0.498 8.355 2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.712 8.575 0.957 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -0.963 10.561 1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.496 10.280 -0.109 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -3.099 9.662 1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.804 10.112 -0.418 1.00 0.00 H new ATOM 1135 N LEU A 152 -1.258 5.076 0.294 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.351 3.749 0.891 1.00 0.00 C ATOM 1137 C LEU A 152 -0.033 3.357 1.553 1.00 0.00 C ATOM 1138 O LEU A 152 -0.013 2.907 2.698 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.729 2.715 -0.171 1.00 0.00 C ATOM 1140 CG LEU A 152 -2.879 3.123 -1.092 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -2.806 2.363 -2.408 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -4.217 2.886 -0.410 1.00 0.00 C ATOM 0 H LEU A 152 -1.293 5.084 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 152 -2.127 3.775 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.851 2.507 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.997 1.784 0.329 1.00 0.00 H new ATOM 0 HG LEU A 152 -2.787 4.188 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.633 2.667 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -1.861 2.584 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.872 1.292 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -5.024 3.182 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -4.318 1.829 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -4.269 3.477 0.504 1.00 0.00 H new ATOM 1154 N VAL A 153 1.065 3.531 0.824 1.00 0.00 N ATOM 1155 CA VAL A 153 2.385 3.196 1.341 1.00 0.00 C ATOM 1156 C VAL A 153 3.475 3.963 0.600 1.00 0.00 C ATOM 1157 O VAL A 153 3.755 3.691 -0.568 1.00 0.00 O ATOM 1158 CB VAL A 153 2.668 1.686 1.225 1.00 0.00 C ATOM 1159 CG1 VAL A 153 4.030 1.351 1.813 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.572 0.884 1.910 1.00 0.00 C ATOM 0 H VAL A 153 1.066 3.902 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 153 2.394 3.480 2.393 1.00 0.00 H new ATOM 0 HB VAL A 153 2.678 1.417 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.212 0.280 1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 153 4.804 1.898 1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 153 4.052 1.635 2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 153 1.788 -0.180 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.528 1.155 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 153 0.613 1.101 1.439 1.00 0.00 H new ATOM 1170 N VAL A 154 4.088 4.922 1.286 1.00 0.00 N ATOM 1171 CA VAL A 154 5.147 5.728 0.692 1.00 0.00 C ATOM 1172 C VAL A 154 6.509 5.066 0.871 1.00 0.00 C ATOM 1173 O VAL A 154 6.837 4.580 1.954 1.00 0.00 O ATOM 1174 CB VAL A 154 5.192 7.139 1.307 1.00 0.00 C ATOM 1175 CG1 VAL A 154 3.804 7.761 1.321 1.00 0.00 C ATOM 1176 CG2 VAL A 154 5.777 7.093 2.711 1.00 0.00 C ATOM 0 H VAL A 154 3.869 5.160 2.254 1.00 0.00 H new ATOM 0 HA VAL A 154 4.922 5.810 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 154 5.838 7.763 0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 154 3.856 8.758 1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.427 7.832 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.133 7.139 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 154 5.800 8.100 3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.160 6.453 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 154 6.790 6.694 2.670 1.00 0.00 H new ATOM 1186 N ILE A 155 7.297 5.050 -0.198 1.00 0.00 N ATOM 1187 CA ILE A 155 8.623 4.447 -0.162 1.00 0.00 C ATOM 1188 C ILE A 155 9.712 5.512 -0.248 1.00 0.00 C ATOM 1189 O ILE A 155 9.580 6.491 -0.982 1.00 0.00 O ATOM 1190 CB ILE A 155 8.813 3.439 -1.311 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.745 2.347 -1.237 1.00 0.00 C ATOM 1192 CG2 ILE A 155 10.206 2.831 -1.261 1.00 0.00 C ATOM 1193 CD1 ILE A 155 6.714 2.432 -2.340 1.00 0.00 C ATOM 0 H ILE A 155 7.040 5.448 -1.101 1.00 0.00 H new ATOM 0 HA ILE A 155 8.707 3.921 0.789 1.00 0.00 H new ATOM 0 HB ILE A 155 8.705 3.966 -2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 155 8.231 1.372 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 155 7.240 2.410 -0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.323 2.121 -2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 155 10.951 3.621 -1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 155 10.344 2.315 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 155 5.989 1.626 -2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 155 6.201 3.392 -2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 155 7.208 2.339 -3.307 1.00 0.00 H new ATOM 1205 N GLU A 156 10.787 5.313 0.507 1.00 0.00 N ATOM 1206 CA GLU A 156 11.900 6.258 0.515 1.00 0.00 C ATOM 1207 C GLU A 156 13.233 5.530 0.387 1.00 0.00 C ATOM 1208 O GLU A 156 13.343 4.647 -0.489 1.00 0.00 O ATOM 1209 CB GLU A 156 11.879 7.090 1.800 1.00 0.00 C ATOM 1210 CG GLU A 156 12.659 8.389 1.694 1.00 0.00 C ATOM 1211 CD GLU A 156 11.838 9.516 1.097 1.00 0.00 C ATOM 1212 OE1 GLU A 156 11.254 9.313 0.012 1.00 0.00 O ATOM 1213 OE2 GLU A 156 11.778 10.599 1.714 1.00 0.00 O ATOM 1214 OXT GLU A 156 14.158 5.851 1.163 1.00 0.00 O ATOM 0 H GLU A 156 10.912 4.508 1.121 1.00 0.00 H new ATOM 0 HA GLU A 156 11.787 6.922 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 156 10.845 7.317 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 156 12.289 6.495 2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 156 13.005 8.682 2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 156 13.546 8.227 1.082 1.00 0.00 H new TER 1221 GLU A 156 HETATM 1222 C11 BTN A 222 -14.540 -8.338 2.895 1.00 0.00 C HETATM 1223 O11 BTN A 222 -15.086 -9.442 2.902 1.00 0.00 O HETATM 1224 C10 BTN A 222 -14.405 -7.586 4.205 1.00 0.00 C HETATM 1225 C9 BTN A 222 -13.247 -8.089 5.051 1.00 0.00 C HETATM 1226 C8 BTN A 222 -11.995 -8.297 4.214 1.00 0.00 C HETATM 1227 C7 BTN A 222 -10.773 -7.680 4.875 1.00 0.00 C HETATM 1228 C2 BTN A 222 -9.469 -8.420 4.563 1.00 0.00 C HETATM 1229 S1 BTN A 222 -9.458 -10.213 4.985 1.00 0.00 S HETATM 1230 C6 BTN A 222 -7.624 -10.216 5.121 1.00 0.00 C HETATM 1231 C5 BTN A 222 -7.261 -8.874 5.742 1.00 0.00 C HETATM 1232 N1 BTN A 222 -7.380 -8.882 7.196 1.00 0.00 N HETATM 1233 C3 BTN A 222 -8.282 -8.028 7.681 1.00 0.00 C HETATM 1234 O3 BTN A 222 -8.561 -7.855 8.868 1.00 0.00 O HETATM 1235 N2 BTN A 222 -8.825 -7.400 6.641 1.00 0.00 N HETATM 1236 C4 BTN A 222 -8.293 -7.816 5.350 1.00 0.00 C HETATM 0 H102 BTN A 222 -14.265 -6.525 3.998 1.00 0.00 H new HETATM 0 H101 BTN A 222 -15.332 -7.681 4.771 1.00 0.00 H new HETATM 0 HN2 BTN A 222 -9.550 -6.690 6.739 1.00 0.00 H new HETATM 0 HN1 BTN A 222 -6.819 -9.491 7.792 1.00 0.00 H new HETATM 0 H92 BTN A 222 -13.039 -7.374 5.847 1.00 0.00 H new HETATM 0 H91 BTN A 222 -13.526 -9.028 5.530 1.00 0.00 H new HETATM 0 H82 BTN A 222 -11.829 -9.364 4.065 1.00 0.00 H new HETATM 0 H81 BTN A 222 -12.138 -7.856 3.228 1.00 0.00 H new HETATM 0 H72 BTN A 222 -10.679 -6.643 4.551 1.00 0.00 H new HETATM 0 H71 BTN A 222 -10.923 -7.664 5.955 1.00 0.00 H new HETATM 0 H62 BTN A 222 -7.278 -11.042 5.742 1.00 0.00 H new HETATM 0 H61 BTN A 222 -7.158 -10.335 4.143 1.00 0.00 H new HETATM 0 H5 BTN A 222 -6.245 -8.675 5.402 1.00 0.00 H new HETATM 0 H4 BTN A 222 -7.849 -7.035 4.733 1.00 0.00 H new HETATM 0 H2 BTN A 222 -9.376 -8.308 3.483 1.00 0.00 H new