USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 907 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 107 THR OG1 : rot -64:sc= -5.18! USER MOD Set 1.2: A 109 HIS : no HE2:sc= -34.2! C(o=-39!,f=-45!) USER MOD Set 2.1: A 69 THR OG1 : rot -73:sc= -0.532! USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.0219 USER MOD Set 3.1: A 19 SER OG : rot -111:sc= -4.51! USER MOD Set 3.2: A 40 MET CE :methyl -115:sc= -9.91! (180deg=-3.79!) USER MOD Single : A 1 SER N :NH3+ -153:sc= 0.00256 (180deg=0) USER MOD Single : A 1 SER OG : rot 25:sc= 0.166 USER MOD Single : A 4 THR OG1 : rot -67:sc= 0.613 USER MOD Single : A 5 SER OG : rot -20:sc= 0.018 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= -1.58! X(o=-1.6!,f=-1.3) USER MOD Single : A 15 ASN :FLIP amide:sc= 0.257 F(o=-0.32,f=0.26) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -177:sc= -0.656! USER MOD Single : A 26 THR OG1 : rot 16:sc= 0.204 USER MOD Single : A 28 THR OG1 : rot -69:sc= 0.458 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.098 K(o=-0.098,f=-0.64) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 142:sc= -0.315 (180deg=-3.81!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.1!) USER MOD Single : A 74 HIS :FLIP no HD1:sc= -4.53! C(o=-5.3!,f=-4.5!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -3.94 X(o=-3.9,f=-3.5!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -70:sc= -0.686 USER MOD Single : A 104 ASN : amide:sc= -3.65! C(o=-3.6!,f=-8.1!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -22.878 -16.462 0.295 1.00 0.00 N ATOM 2 CA SER A 1 -23.408 -15.081 0.116 1.00 0.00 C ATOM 3 C SER A 1 -23.726 -14.475 1.485 1.00 0.00 C ATOM 4 O SER A 1 -24.293 -15.120 2.345 1.00 0.00 O ATOM 5 CB SER A 1 -24.681 -15.130 -0.728 1.00 0.00 C ATOM 6 OG SER A 1 -25.663 -15.905 -0.053 1.00 0.00 O ATOM 0 H1 SER A 1 -22.258 -16.702 -0.505 1.00 0.00 H new ATOM 0 H2 SER A 1 -22.336 -16.514 1.181 1.00 0.00 H new ATOM 0 H3 SER A 1 -23.670 -17.135 0.334 1.00 0.00 H new ATOM 0 HA SER A 1 -22.661 -14.467 -0.388 1.00 0.00 H new ATOM 0 HB2 SER A 1 -25.054 -14.121 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 1 -24.467 -15.564 -1.705 1.00 0.00 H new ATOM 0 HG SER A 1 -25.480 -15.899 0.910 1.00 0.00 H new ATOM 14 N VAL A 2 -23.365 -13.237 1.693 1.00 0.00 N ATOM 15 CA VAL A 2 -23.647 -12.587 3.003 1.00 0.00 C ATOM 16 C VAL A 2 -22.971 -11.209 3.039 1.00 0.00 C ATOM 17 O VAL A 2 -23.583 -10.201 2.746 1.00 0.00 O ATOM 18 CB VAL A 2 -23.119 -13.483 4.138 1.00 0.00 C ATOM 19 CG1 VAL A 2 -21.852 -14.205 3.678 1.00 0.00 C ATOM 20 CG2 VAL A 2 -22.804 -12.638 5.378 1.00 0.00 C ATOM 0 H VAL A 2 -22.887 -12.648 1.011 1.00 0.00 H new ATOM 0 HA VAL A 2 -24.721 -12.453 3.134 1.00 0.00 H new ATOM 0 HB VAL A 2 -23.885 -14.216 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.481 -14.838 4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -22.080 -14.821 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -21.091 -13.471 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -22.432 -13.284 6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -22.046 -11.895 5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -23.710 -12.134 5.714 1.00 0.00 H new ATOM 30 N GLY A 3 -21.717 -11.154 3.395 1.00 0.00 N ATOM 31 CA GLY A 3 -21.013 -9.842 3.446 1.00 0.00 C ATOM 32 C GLY A 3 -19.518 -10.057 3.205 1.00 0.00 C ATOM 33 O GLY A 3 -18.981 -11.113 3.480 1.00 0.00 O ATOM 0 H GLY A 3 -21.149 -11.961 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -21.421 -9.169 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -21.172 -9.369 4.415 1.00 0.00 H new ATOM 37 N THR A 4 -18.839 -9.068 2.692 1.00 0.00 N ATOM 38 CA THR A 4 -17.380 -9.223 2.434 1.00 0.00 C ATOM 39 C THR A 4 -16.803 -7.892 1.947 1.00 0.00 C ATOM 40 O THR A 4 -16.333 -7.778 0.832 1.00 0.00 O ATOM 41 CB THR A 4 -17.164 -10.295 1.364 1.00 0.00 C ATOM 42 OG1 THR A 4 -15.785 -10.354 1.026 1.00 0.00 O ATOM 43 CG2 THR A 4 -17.983 -9.952 0.119 1.00 0.00 C ATOM 0 H THR A 4 -19.231 -8.160 2.441 1.00 0.00 H new ATOM 0 HA THR A 4 -16.877 -9.521 3.354 1.00 0.00 H new ATOM 0 HB THR A 4 -17.486 -11.262 1.750 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.524 -9.526 0.572 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.827 -10.717 -0.641 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.041 -9.909 0.380 1.00 0.00 H new ATOM 0 HG23 THR A 4 -17.666 -8.984 -0.270 1.00 0.00 H new ATOM 51 N SER A 5 -16.832 -6.885 2.777 1.00 0.00 N ATOM 52 CA SER A 5 -16.284 -5.563 2.366 1.00 0.00 C ATOM 53 C SER A 5 -14.976 -5.303 3.114 1.00 0.00 C ATOM 54 O SER A 5 -14.278 -6.220 3.500 1.00 0.00 O ATOM 55 CB SER A 5 -17.294 -4.465 2.706 1.00 0.00 C ATOM 56 OG SER A 5 -17.250 -3.461 1.701 1.00 0.00 O ATOM 0 H SER A 5 -17.212 -6.922 3.723 1.00 0.00 H new ATOM 0 HA SER A 5 -16.096 -5.563 1.292 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.297 -4.886 2.773 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.064 -4.032 3.680 1.00 0.00 H new ATOM 0 HG SER A 5 -16.403 -3.524 1.213 1.00 0.00 H new ATOM 62 N CYS A 6 -14.636 -4.062 3.324 1.00 0.00 N ATOM 63 CA CYS A 6 -13.372 -3.751 4.050 1.00 0.00 C ATOM 64 C CYS A 6 -13.585 -3.948 5.552 1.00 0.00 C ATOM 65 O CYS A 6 -14.239 -3.158 6.205 1.00 0.00 O ATOM 66 CB CYS A 6 -12.966 -2.302 3.777 1.00 0.00 C ATOM 67 SG CYS A 6 -12.736 -2.060 1.997 1.00 0.00 S ATOM 0 H CYS A 6 -15.177 -3.251 3.025 1.00 0.00 H new ATOM 0 HA CYS A 6 -12.583 -4.418 3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -13.732 -1.623 4.150 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -12.044 -2.066 4.308 1.00 0.00 H new ATOM 72 N ILE A 7 -13.036 -4.993 6.104 1.00 0.00 N ATOM 73 CA ILE A 7 -13.201 -5.240 7.567 1.00 0.00 C ATOM 74 C ILE A 7 -11.818 -5.399 8.205 1.00 0.00 C ATOM 75 O ILE A 7 -10.856 -5.696 7.523 1.00 0.00 O ATOM 76 CB ILE A 7 -14.021 -6.520 7.809 1.00 0.00 C ATOM 77 CG1 ILE A 7 -14.450 -7.147 6.476 1.00 0.00 C ATOM 78 CG2 ILE A 7 -15.269 -6.174 8.624 1.00 0.00 C ATOM 79 CD1 ILE A 7 -14.814 -8.617 6.696 1.00 0.00 C ATOM 0 H ILE A 7 -12.479 -5.688 5.607 1.00 0.00 H new ATOM 0 HA ILE A 7 -13.728 -4.396 8.012 1.00 0.00 H new ATOM 0 HB ILE A 7 -13.402 -7.234 8.352 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -15.304 -6.607 6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -13.643 -7.066 5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -15.853 -7.078 8.797 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -14.971 -5.745 9.581 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -15.873 -5.452 8.075 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -15.119 -9.062 5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -13.948 -9.152 7.086 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -15.635 -8.686 7.410 1.00 0.00 H new ATOM 91 N PRO A 8 -11.757 -5.193 9.495 1.00 0.00 N ATOM 92 CA PRO A 8 -10.499 -5.302 10.255 1.00 0.00 C ATOM 93 C PRO A 8 -10.163 -6.781 10.526 1.00 0.00 C ATOM 94 O PRO A 8 -11.042 -7.587 10.758 1.00 0.00 O ATOM 95 CB PRO A 8 -10.805 -4.562 11.560 1.00 0.00 C ATOM 96 CG PRO A 8 -12.344 -4.569 11.718 1.00 0.00 C ATOM 97 CD PRO A 8 -12.931 -4.829 10.316 1.00 0.00 C ATOM 0 HA PRO A 8 -9.640 -4.888 9.728 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.326 -5.054 12.406 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.423 -3.542 11.526 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.658 -5.343 12.419 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.697 -3.617 12.115 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.668 -5.632 10.335 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.433 -3.945 9.924 1.00 0.00 H new ATOM 105 N GLY A 9 -8.903 -7.148 10.505 1.00 0.00 N ATOM 106 CA GLY A 9 -8.533 -8.569 10.767 1.00 0.00 C ATOM 107 C GLY A 9 -9.238 -9.491 9.762 1.00 0.00 C ATOM 108 O GLY A 9 -9.292 -10.690 9.939 1.00 0.00 O ATOM 0 H GLY A 9 -8.119 -6.523 10.318 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.453 -8.692 10.690 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.813 -8.844 11.784 1.00 0.00 H new ATOM 112 N MET A 10 -9.773 -8.938 8.707 1.00 0.00 N ATOM 113 CA MET A 10 -10.469 -9.778 7.688 1.00 0.00 C ATOM 114 C MET A 10 -10.119 -9.237 6.283 1.00 0.00 C ATOM 115 O MET A 10 -10.577 -8.174 5.917 1.00 0.00 O ATOM 116 CB MET A 10 -11.981 -9.677 7.905 1.00 0.00 C ATOM 117 CG MET A 10 -12.345 -10.319 9.244 1.00 0.00 C ATOM 118 SD MET A 10 -13.643 -11.555 8.989 1.00 0.00 S ATOM 119 CE MET A 10 -13.653 -12.224 10.670 1.00 0.00 C ATOM 0 H MET A 10 -9.758 -7.938 8.506 1.00 0.00 H new ATOM 0 HA MET A 10 -10.155 -10.818 7.778 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.292 -8.632 7.893 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.510 -10.177 7.094 1.00 0.00 H new ATOM 0 HG2 MET A 10 -11.465 -10.786 9.686 1.00 0.00 H new ATOM 0 HG3 MET A 10 -12.687 -9.556 9.944 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.397 -13.018 10.741 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.668 -12.627 10.907 1.00 0.00 H new ATOM 0 HE3 MET A 10 -13.900 -11.431 11.376 1.00 0.00 H new ATOM 129 N ALA A 11 -9.300 -9.929 5.503 1.00 0.00 N ATOM 130 CA ALA A 11 -8.921 -9.410 4.151 1.00 0.00 C ATOM 131 C ALA A 11 -7.733 -8.462 4.323 1.00 0.00 C ATOM 132 O ALA A 11 -6.649 -8.708 3.833 1.00 0.00 O ATOM 133 CB ALA A 11 -10.095 -8.663 3.511 1.00 0.00 C ATOM 0 H ALA A 11 -8.884 -10.827 5.752 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.655 -10.241 3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.799 -8.294 2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.942 -9.340 3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.380 -7.823 4.144 1.00 0.00 H new ATOM 139 N ILE A 12 -7.927 -7.394 5.045 1.00 0.00 N ATOM 140 CA ILE A 12 -6.818 -6.437 5.295 1.00 0.00 C ATOM 141 C ILE A 12 -6.330 -6.661 6.736 1.00 0.00 C ATOM 142 O ILE A 12 -6.988 -6.233 7.663 1.00 0.00 O ATOM 143 CB ILE A 12 -7.338 -5.007 5.145 1.00 0.00 C ATOM 144 CG1 ILE A 12 -7.956 -4.836 3.756 1.00 0.00 C ATOM 145 CG2 ILE A 12 -6.180 -4.021 5.313 1.00 0.00 C ATOM 146 CD1 ILE A 12 -8.724 -3.514 3.695 1.00 0.00 C ATOM 0 H ILE A 12 -8.816 -7.142 5.476 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.005 -6.591 4.586 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.092 -4.812 5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.175 -4.850 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.626 -5.668 3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.551 -3.002 5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.738 -4.144 6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.425 -4.214 4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.164 -3.394 2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.515 -3.518 4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.041 -2.687 3.892 1.00 0.00 H new ATOM 158 N PRO A 13 -5.228 -7.362 6.910 1.00 0.00 N ATOM 159 CA PRO A 13 -4.720 -7.677 8.252 1.00 0.00 C ATOM 160 C PRO A 13 -3.938 -6.511 8.846 1.00 0.00 C ATOM 161 O PRO A 13 -3.675 -5.519 8.196 1.00 0.00 O ATOM 162 CB PRO A 13 -3.819 -8.890 8.022 1.00 0.00 C ATOM 163 CG PRO A 13 -3.418 -8.867 6.527 1.00 0.00 C ATOM 164 CD PRO A 13 -4.380 -7.894 5.816 1.00 0.00 C ATOM 0 HA PRO A 13 -5.520 -7.873 8.965 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.937 -8.844 8.660 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.343 -9.814 8.268 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.384 -8.541 6.410 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.489 -9.865 6.094 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.837 -7.097 5.308 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.977 -8.404 5.061 1.00 0.00 H new ATOM 172 N HIS A 14 -3.576 -6.631 10.089 1.00 0.00 N ATOM 173 CA HIS A 14 -2.823 -5.557 10.766 1.00 0.00 C ATOM 174 C HIS A 14 -1.402 -5.480 10.180 1.00 0.00 C ATOM 175 O HIS A 14 -0.830 -6.483 9.803 1.00 0.00 O ATOM 176 CB HIS A 14 -2.770 -5.901 12.255 1.00 0.00 C ATOM 177 CG HIS A 14 -4.164 -6.185 12.752 1.00 0.00 C ATOM 178 ND1 HIS A 14 -4.872 -5.280 13.528 1.00 0.00 N ATOM 179 CD2 HIS A 14 -4.994 -7.266 12.590 1.00 0.00 C ATOM 180 CE1 HIS A 14 -6.073 -5.830 13.799 1.00 0.00 C ATOM 181 NE2 HIS A 14 -6.197 -7.041 13.250 1.00 0.00 N ATOM 0 H HIS A 14 -3.776 -7.445 10.671 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.303 -4.589 10.622 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.130 -6.769 12.417 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.333 -5.074 12.815 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.544 -4.365 13.837 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.749 -8.158 12.033 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.841 -5.350 14.388 1.00 0.00 H new ATOM 189 N ASN A 15 -0.828 -4.304 10.087 1.00 0.00 N ATOM 190 CA ASN A 15 0.543 -4.187 9.514 1.00 0.00 C ATOM 191 C ASN A 15 0.587 -4.828 8.121 1.00 0.00 C ATOM 192 O ASN A 15 1.442 -5.649 7.851 1.00 0.00 O ATOM 193 CB ASN A 15 1.534 -4.904 10.433 1.00 0.00 C ATOM 194 CG ASN A 15 2.955 -4.442 10.113 1.00 0.00 C ATOM 195 OD1 ASN A 15 3.487 -3.477 10.813 1.00 0.00 O flip ATOM 196 ND2 ASN A 15 3.589 -4.962 9.217 1.00 0.00 N flip ATOM 0 H ASN A 15 -1.251 -3.425 10.383 1.00 0.00 H new ATOM 0 HA ASN A 15 0.809 -3.133 9.430 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.298 -4.692 11.476 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.453 -5.983 10.301 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.174 -5.716 8.670 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.536 -4.645 9.012 1.00 0.00 H new ATOM 203 N PRO A 16 -0.337 -4.440 7.273 1.00 0.00 N ATOM 204 CA PRO A 16 -0.422 -4.971 5.898 1.00 0.00 C ATOM 205 C PRO A 16 0.609 -4.310 4.976 1.00 0.00 C ATOM 206 O PRO A 16 1.186 -3.289 5.292 1.00 0.00 O ATOM 207 CB PRO A 16 -1.837 -4.590 5.454 1.00 0.00 C ATOM 208 CG PRO A 16 -2.257 -3.389 6.333 1.00 0.00 C ATOM 209 CD PRO A 16 -1.383 -3.446 7.599 1.00 0.00 C ATOM 0 HA PRO A 16 -0.222 -6.042 5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.855 -4.324 4.397 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.524 -5.426 5.584 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.109 -2.449 5.802 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.315 -3.447 6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.950 -2.472 7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.963 -3.750 8.470 1.00 0.00 H new ATOM 217 N LEU A 17 0.818 -4.889 3.824 1.00 0.00 N ATOM 218 CA LEU A 17 1.782 -4.316 2.840 1.00 0.00 C ATOM 219 C LEU A 17 3.116 -3.975 3.510 1.00 0.00 C ATOM 220 O LEU A 17 3.655 -2.903 3.321 1.00 0.00 O ATOM 221 CB LEU A 17 1.182 -3.051 2.224 1.00 0.00 C ATOM 222 CG LEU A 17 0.489 -3.406 0.905 1.00 0.00 C ATOM 223 CD1 LEU A 17 -1.017 -3.540 1.139 1.00 0.00 C ATOM 224 CD2 LEU A 17 0.748 -2.302 -0.121 1.00 0.00 C ATOM 0 H LEU A 17 0.356 -5.746 3.519 1.00 0.00 H new ATOM 0 HA LEU A 17 1.969 -5.059 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.467 -2.601 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.964 -2.312 2.049 1.00 0.00 H new ATOM 0 HG LEU A 17 0.884 -4.350 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.510 -3.793 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.203 -4.327 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.412 -2.596 1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.255 -2.555 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.353 -1.357 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.821 -2.206 -0.289 1.00 0.00 H new ATOM 236 N ASP A 18 3.666 -4.878 4.272 1.00 0.00 N ATOM 237 CA ASP A 18 4.981 -4.593 4.923 1.00 0.00 C ATOM 238 C ASP A 18 6.088 -4.693 3.870 1.00 0.00 C ATOM 239 O ASP A 18 6.996 -3.873 3.805 1.00 0.00 O ATOM 240 CB ASP A 18 5.240 -5.610 6.038 1.00 0.00 C ATOM 241 CG ASP A 18 5.409 -7.002 5.429 1.00 0.00 C ATOM 242 OD1 ASP A 18 4.407 -7.590 5.054 1.00 0.00 O ATOM 243 OD2 ASP A 18 6.538 -7.458 5.349 1.00 0.00 O ATOM 0 H ASP A 18 3.268 -5.795 4.473 1.00 0.00 H new ATOM 0 HA ASP A 18 4.967 -3.591 5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.135 -5.334 6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.411 -5.609 6.745 1.00 0.00 H new ATOM 248 N SER A 19 6.003 -5.687 3.032 1.00 0.00 N ATOM 249 CA SER A 19 7.021 -5.858 1.962 1.00 0.00 C ATOM 250 C SER A 19 7.018 -4.606 1.092 1.00 0.00 C ATOM 251 O SER A 19 7.998 -4.268 0.463 1.00 0.00 O ATOM 252 CB SER A 19 6.669 -7.077 1.109 1.00 0.00 C ATOM 253 OG SER A 19 7.861 -7.763 0.749 1.00 0.00 O ATOM 0 H SER A 19 5.267 -6.393 3.043 1.00 0.00 H new ATOM 0 HA SER A 19 8.007 -6.007 2.402 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.007 -7.743 1.662 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.132 -6.765 0.214 1.00 0.00 H new ATOM 0 HG SER A 19 8.017 -7.665 -0.213 1.00 0.00 H new ATOM 259 N CYS A 20 5.911 -3.917 1.055 1.00 0.00 N ATOM 260 CA CYS A 20 5.823 -2.682 0.233 1.00 0.00 C ATOM 261 C CYS A 20 6.606 -1.563 0.918 1.00 0.00 C ATOM 262 O CYS A 20 7.281 -0.779 0.275 1.00 0.00 O ATOM 263 CB CYS A 20 4.356 -2.291 0.080 1.00 0.00 C ATOM 264 SG CYS A 20 3.461 -3.661 -0.699 1.00 0.00 S ATOM 0 H CYS A 20 5.060 -4.159 1.562 1.00 0.00 H new ATOM 0 HA CYS A 20 6.250 -2.855 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.923 -2.063 1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.267 -1.390 -0.527 1.00 0.00 H new ATOM 269 N ARG A 21 6.536 -1.488 2.218 1.00 0.00 N ATOM 270 CA ARG A 21 7.288 -0.425 2.931 1.00 0.00 C ATOM 271 C ARG A 21 8.797 -0.644 2.703 1.00 0.00 C ATOM 272 O ARG A 21 9.531 0.274 2.354 1.00 0.00 O ATOM 273 CB ARG A 21 6.926 -0.455 4.435 1.00 0.00 C ATOM 274 CG ARG A 21 8.178 -0.320 5.312 1.00 0.00 C ATOM 275 CD ARG A 21 8.829 1.041 5.065 1.00 0.00 C ATOM 276 NE ARG A 21 9.366 1.578 6.347 1.00 0.00 N ATOM 277 CZ ARG A 21 9.360 2.864 6.569 1.00 0.00 C ATOM 278 NH1 ARG A 21 9.166 3.695 5.582 1.00 0.00 N ATOM 279 NH2 ARG A 21 9.546 3.319 7.778 1.00 0.00 N ATOM 0 H ARG A 21 5.993 -2.114 2.812 1.00 0.00 H new ATOM 0 HA ARG A 21 7.021 0.559 2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.232 0.355 4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.414 -1.388 4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.911 -0.422 6.364 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.883 -1.119 5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.632 0.944 4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.099 1.734 4.646 1.00 0.00 H new ATOM 0 HE ARG A 21 9.738 0.941 7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.019 3.339 4.637 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.161 4.700 5.755 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.696 2.669 8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.541 4.324 7.951 1.00 0.00 H new ATOM 293 N TRP A 22 9.277 -1.853 2.884 1.00 0.00 N ATOM 294 CA TRP A 22 10.737 -2.082 2.667 1.00 0.00 C ATOM 295 C TRP A 22 11.049 -2.052 1.174 1.00 0.00 C ATOM 296 O TRP A 22 12.148 -1.726 0.768 1.00 0.00 O ATOM 297 CB TRP A 22 11.196 -3.416 3.255 1.00 0.00 C ATOM 298 CG TRP A 22 11.386 -3.230 4.710 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.767 -3.916 5.679 1.00 0.00 C ATOM 300 CD2 TRP A 22 12.250 -2.284 5.357 1.00 0.00 C ATOM 301 NE1 TRP A 22 11.203 -3.440 6.908 1.00 0.00 N ATOM 302 CE2 TRP A 22 12.127 -2.422 6.752 1.00 0.00 C ATOM 303 CE3 TRP A 22 13.118 -1.328 4.847 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.862 -1.617 7.626 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.864 -0.509 5.712 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.734 -0.654 7.103 1.00 0.00 C ATOM 0 H TRP A 22 8.735 -2.670 3.165 1.00 0.00 H new ATOM 0 HA TRP A 22 11.276 -1.284 3.178 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.456 -4.193 3.063 1.00 0.00 H new ATOM 0 HB3 TRP A 22 12.126 -3.740 2.787 1.00 0.00 H new ATOM 0 HD1 TRP A 22 10.048 -4.708 5.529 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.884 -3.795 7.809 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.221 -1.213 3.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.759 -1.736 8.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.537 0.232 5.307 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.306 -0.024 7.768 1.00 0.00 H new ATOM 317 N TYR A 23 10.094 -2.377 0.346 1.00 0.00 N ATOM 318 CA TYR A 23 10.359 -2.349 -1.115 1.00 0.00 C ATOM 319 C TYR A 23 10.604 -0.902 -1.533 1.00 0.00 C ATOM 320 O TYR A 23 11.377 -0.632 -2.429 1.00 0.00 O ATOM 321 CB TYR A 23 9.173 -2.934 -1.885 1.00 0.00 C ATOM 322 CG TYR A 23 9.490 -2.944 -3.360 1.00 0.00 C ATOM 323 CD1 TYR A 23 10.760 -3.342 -3.800 1.00 0.00 C ATOM 324 CD2 TYR A 23 8.517 -2.557 -4.289 1.00 0.00 C ATOM 325 CE1 TYR A 23 11.054 -3.352 -5.168 1.00 0.00 C ATOM 326 CE2 TYR A 23 8.813 -2.568 -5.657 1.00 0.00 C ATOM 327 CZ TYR A 23 10.080 -2.965 -6.096 1.00 0.00 C ATOM 328 OH TYR A 23 10.370 -2.976 -7.446 1.00 0.00 O ATOM 0 H TYR A 23 9.152 -2.658 0.617 1.00 0.00 H new ATOM 0 HA TYR A 23 11.236 -2.954 -1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.965 -3.947 -1.540 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.277 -2.343 -1.698 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.511 -3.641 -3.084 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.538 -2.250 -3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.032 -3.658 -5.508 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.062 -2.270 -6.374 1.00 0.00 H new ATOM 0 HH TYR A 23 9.584 -2.681 -7.952 1.00 0.00 H new ATOM 338 N VAL A 24 9.982 0.041 -0.871 1.00 0.00 N ATOM 339 CA VAL A 24 10.236 1.465 -1.227 1.00 0.00 C ATOM 340 C VAL A 24 11.601 1.852 -0.673 1.00 0.00 C ATOM 341 O VAL A 24 12.369 2.533 -1.314 1.00 0.00 O ATOM 342 CB VAL A 24 9.190 2.386 -0.609 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.562 3.838 -0.917 1.00 0.00 C ATOM 344 CG2 VAL A 24 7.812 2.071 -1.194 1.00 0.00 C ATOM 0 H VAL A 24 9.319 -0.112 -0.111 1.00 0.00 H new ATOM 0 HA VAL A 24 10.193 1.570 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 24 9.159 2.235 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.819 4.505 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.542 4.060 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.590 3.985 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.068 2.732 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.832 2.222 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.553 1.035 -0.977 1.00 0.00 H new ATOM 354 N SER A 25 11.905 1.426 0.524 1.00 0.00 N ATOM 355 CA SER A 25 13.229 1.780 1.114 1.00 0.00 C ATOM 356 C SER A 25 14.361 1.319 0.180 1.00 0.00 C ATOM 357 O SER A 25 15.336 2.018 -0.020 1.00 0.00 O ATOM 358 CB SER A 25 13.391 1.094 2.473 1.00 0.00 C ATOM 359 OG SER A 25 12.127 0.617 2.917 1.00 0.00 O ATOM 0 H SER A 25 11.301 0.854 1.114 1.00 0.00 H new ATOM 0 HA SER A 25 13.279 2.862 1.240 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.096 0.267 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.803 1.795 3.199 1.00 0.00 H new ATOM 0 HG SER A 25 12.221 0.224 3.810 1.00 0.00 H new ATOM 365 N THR A 26 14.247 0.136 -0.373 1.00 0.00 N ATOM 366 CA THR A 26 15.321 -0.395 -1.273 1.00 0.00 C ATOM 367 C THR A 26 15.244 0.242 -2.667 1.00 0.00 C ATOM 368 O THR A 26 16.209 0.778 -3.162 1.00 0.00 O ATOM 369 CB THR A 26 15.164 -1.922 -1.387 1.00 0.00 C ATOM 370 OG1 THR A 26 15.712 -2.535 -0.228 1.00 0.00 O ATOM 371 CG2 THR A 26 15.888 -2.446 -2.631 1.00 0.00 C ATOM 0 H THR A 26 13.452 -0.489 -0.239 1.00 0.00 H new ATOM 0 HA THR A 26 16.293 -0.146 -0.846 1.00 0.00 H new ATOM 0 HB THR A 26 14.104 -2.163 -1.473 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.824 -1.862 0.476 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.766 -3.527 -2.695 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.465 -1.980 -3.521 1.00 0.00 H new ATOM 0 HG23 THR A 26 16.949 -2.204 -2.564 1.00 0.00 H new ATOM 379 N ARG A 27 14.124 0.166 -3.314 1.00 0.00 N ATOM 380 CA ARG A 27 14.015 0.750 -4.682 1.00 0.00 C ATOM 381 C ARG A 27 14.332 2.249 -4.647 1.00 0.00 C ATOM 382 O ARG A 27 14.708 2.834 -5.643 1.00 0.00 O ATOM 383 CB ARG A 27 12.598 0.539 -5.218 1.00 0.00 C ATOM 384 CG ARG A 27 12.531 1.005 -6.674 1.00 0.00 C ATOM 385 CD ARG A 27 12.675 -0.202 -7.605 1.00 0.00 C ATOM 386 NE ARG A 27 13.785 0.044 -8.567 1.00 0.00 N ATOM 387 CZ ARG A 27 13.763 1.100 -9.333 1.00 0.00 C ATOM 388 NH1 ARG A 27 12.945 1.154 -10.347 1.00 0.00 N ATOM 389 NH2 ARG A 27 14.560 2.103 -9.085 1.00 0.00 N ATOM 0 H ARG A 27 13.275 -0.274 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 27 14.732 0.253 -5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.324 -0.514 -5.149 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.882 1.095 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.584 1.511 -6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.323 1.727 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.876 -1.102 -7.023 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.743 -0.372 -8.144 1.00 0.00 H new ATOM 0 HE ARG A 27 14.563 -0.613 -8.627 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.322 0.370 -10.542 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.928 1.980 -10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.200 2.062 -8.292 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.543 2.928 -9.684 1.00 0.00 H new ATOM 403 N THR A 28 14.157 2.884 -3.520 1.00 0.00 N ATOM 404 CA THR A 28 14.421 4.352 -3.442 1.00 0.00 C ATOM 405 C THR A 28 15.864 4.639 -2.983 1.00 0.00 C ATOM 406 O THR A 28 16.660 5.164 -3.736 1.00 0.00 O ATOM 407 CB THR A 28 13.417 4.995 -2.471 1.00 0.00 C ATOM 408 OG1 THR A 28 13.616 4.482 -1.163 1.00 0.00 O ATOM 409 CG2 THR A 28 11.992 4.682 -2.930 1.00 0.00 C ATOM 0 H THR A 28 13.843 2.452 -2.651 1.00 0.00 H new ATOM 0 HA THR A 28 14.300 4.781 -4.437 1.00 0.00 H new ATOM 0 HB THR A 28 13.569 6.074 -2.460 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.347 3.540 -1.137 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.280 5.138 -2.242 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.836 5.083 -3.932 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.843 3.602 -2.944 1.00 0.00 H new ATOM 417 N CYS A 29 16.211 4.322 -1.762 1.00 0.00 N ATOM 418 CA CYS A 29 17.599 4.606 -1.283 1.00 0.00 C ATOM 419 C CYS A 29 18.446 3.338 -1.367 1.00 0.00 C ATOM 420 O CYS A 29 19.491 3.236 -0.755 1.00 0.00 O ATOM 421 CB CYS A 29 17.557 5.075 0.171 1.00 0.00 C ATOM 422 SG CYS A 29 16.125 6.144 0.437 1.00 0.00 S ATOM 0 H CYS A 29 15.597 3.881 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 29 18.036 5.383 -1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.507 4.214 0.838 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.473 5.614 0.414 1.00 0.00 H new ATOM 427 N GLY A 30 18.001 2.368 -2.105 1.00 0.00 N ATOM 428 CA GLY A 30 18.780 1.099 -2.213 1.00 0.00 C ATOM 429 C GLY A 30 19.005 0.516 -0.812 1.00 0.00 C ATOM 430 O GLY A 30 19.910 -0.265 -0.593 1.00 0.00 O ATOM 0 H GLY A 30 17.133 2.393 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.244 0.382 -2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.738 1.288 -2.698 1.00 0.00 H new ATOM 434 N VAL A 31 18.192 0.893 0.140 1.00 0.00 N ATOM 435 CA VAL A 31 18.360 0.362 1.526 1.00 0.00 C ATOM 436 C VAL A 31 17.263 -0.668 1.819 1.00 0.00 C ATOM 437 O VAL A 31 16.252 -0.713 1.150 1.00 0.00 O ATOM 438 CB VAL A 31 18.262 1.515 2.528 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.282 0.958 3.952 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.451 2.458 2.332 1.00 0.00 C ATOM 0 H VAL A 31 17.418 1.546 0.018 1.00 0.00 H new ATOM 0 HA VAL A 31 19.336 -0.116 1.616 1.00 0.00 H new ATOM 0 HB VAL A 31 17.332 2.061 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.212 1.779 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.437 0.284 4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.211 0.413 4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.384 3.280 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.380 1.911 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.437 2.855 1.317 1.00 0.00 H new ATOM 450 N GLY A 32 17.452 -1.503 2.806 1.00 0.00 N ATOM 451 CA GLY A 32 16.413 -2.524 3.111 1.00 0.00 C ATOM 452 C GLY A 32 17.109 -3.865 3.426 1.00 0.00 C ATOM 453 O GLY A 32 18.322 -3.921 3.375 1.00 0.00 O ATOM 0 H GLY A 32 18.275 -1.521 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.808 -2.205 3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.737 -2.640 2.263 1.00 0.00 H new ATOM 457 N PRO A 33 16.364 -4.926 3.732 1.00 0.00 N ATOM 458 CA PRO A 33 16.999 -6.232 4.026 1.00 0.00 C ATOM 459 C PRO A 33 17.683 -6.782 2.763 1.00 0.00 C ATOM 460 O PRO A 33 17.612 -6.185 1.708 1.00 0.00 O ATOM 461 CB PRO A 33 15.830 -7.111 4.504 1.00 0.00 C ATOM 462 CG PRO A 33 14.547 -6.453 3.964 1.00 0.00 C ATOM 463 CD PRO A 33 14.869 -4.959 3.810 1.00 0.00 C ATOM 0 HA PRO A 33 17.787 -6.182 4.777 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.931 -8.130 4.130 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.808 -7.171 5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.257 -6.890 3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.713 -6.604 4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.412 -4.541 2.913 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.499 -4.380 4.656 1.00 0.00 H new ATOM 471 N ARG A 34 18.370 -7.895 2.861 1.00 0.00 N ATOM 472 CA ARG A 34 19.073 -8.433 1.663 1.00 0.00 C ATOM 473 C ARG A 34 18.161 -9.402 0.913 1.00 0.00 C ATOM 474 O ARG A 34 18.251 -10.605 1.057 1.00 0.00 O ATOM 475 CB ARG A 34 20.336 -9.173 2.106 1.00 0.00 C ATOM 476 CG ARG A 34 21.471 -8.169 2.316 1.00 0.00 C ATOM 477 CD ARG A 34 22.805 -8.917 2.387 1.00 0.00 C ATOM 478 NE ARG A 34 23.872 -8.093 1.755 1.00 0.00 N ATOM 479 CZ ARG A 34 24.256 -8.347 0.534 1.00 0.00 C ATOM 480 NH1 ARG A 34 24.364 -9.583 0.128 1.00 0.00 N ATOM 481 NH2 ARG A 34 24.533 -7.367 -0.281 1.00 0.00 N ATOM 0 H ARG A 34 18.472 -8.447 3.713 1.00 0.00 H new ATOM 0 HA ARG A 34 19.339 -7.606 1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 34 20.145 -9.719 3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 34 20.622 -9.908 1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.489 -7.448 1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 34 21.308 -7.606 3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 34 23.061 -9.128 3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 34 22.723 -9.877 1.878 1.00 0.00 H new ATOM 0 HE ARG A 34 24.303 -7.330 2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 34 24.148 -10.350 0.765 1.00 0.00 H new ATOM 0 HH12 ARG A 34 24.664 -9.782 -0.826 1.00 0.00 H new ATOM 0 HH21 ARG A 34 24.450 -6.401 0.036 1.00 0.00 H new ATOM 0 HH22 ARG A 34 24.833 -7.567 -1.235 1.00 0.00 H new ATOM 495 N LEU A 35 17.290 -8.875 0.101 1.00 0.00 N ATOM 496 CA LEU A 35 16.368 -9.739 -0.686 1.00 0.00 C ATOM 497 C LEU A 35 16.253 -9.169 -2.101 1.00 0.00 C ATOM 498 O LEU A 35 16.038 -7.988 -2.286 1.00 0.00 O ATOM 499 CB LEU A 35 14.986 -9.756 -0.027 1.00 0.00 C ATOM 500 CG LEU A 35 14.411 -11.171 -0.091 1.00 0.00 C ATOM 501 CD1 LEU A 35 13.489 -11.402 1.107 1.00 0.00 C ATOM 502 CD2 LEU A 35 13.611 -11.337 -1.386 1.00 0.00 C ATOM 0 H LEU A 35 17.176 -7.873 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 35 16.755 -10.757 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 35 15.061 -9.429 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.320 -9.058 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 35 15.225 -11.895 -0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.079 -12.411 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.055 -11.282 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.674 -10.678 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.200 -12.346 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.797 -10.612 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.265 -11.171 -2.242 1.00 0.00 H new ATOM 514 N ALA A 36 16.402 -9.991 -3.102 1.00 0.00 N ATOM 515 CA ALA A 36 16.305 -9.478 -4.498 1.00 0.00 C ATOM 516 C ALA A 36 15.078 -8.563 -4.619 1.00 0.00 C ATOM 517 O ALA A 36 14.159 -8.642 -3.828 1.00 0.00 O ATOM 518 CB ALA A 36 16.173 -10.655 -5.466 1.00 0.00 C ATOM 0 H ALA A 36 16.586 -10.991 -3.016 1.00 0.00 H new ATOM 0 HA ALA A 36 17.203 -8.911 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.102 -10.280 -6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.047 -11.300 -5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.276 -11.225 -5.226 1.00 0.00 H new ATOM 524 N THR A 37 15.053 -7.692 -5.596 1.00 0.00 N ATOM 525 CA THR A 37 13.885 -6.776 -5.749 1.00 0.00 C ATOM 526 C THR A 37 12.692 -7.534 -6.339 1.00 0.00 C ATOM 527 O THR A 37 11.605 -7.499 -5.804 1.00 0.00 O ATOM 528 CB THR A 37 14.262 -5.621 -6.680 1.00 0.00 C ATOM 529 OG1 THR A 37 15.384 -5.997 -7.468 1.00 0.00 O ATOM 530 CG2 THR A 37 14.609 -4.387 -5.848 1.00 0.00 C ATOM 0 H THR A 37 15.790 -7.577 -6.292 1.00 0.00 H new ATOM 0 HA THR A 37 13.610 -6.386 -4.769 1.00 0.00 H new ATOM 0 HB THR A 37 13.421 -5.390 -7.334 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.626 -5.259 -8.066 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.877 -3.565 -6.511 1.00 0.00 H new ATOM 0 HG22 THR A 37 13.747 -4.100 -5.245 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.450 -4.614 -5.193 1.00 0.00 H new ATOM 538 N GLN A 38 12.877 -8.209 -7.436 1.00 0.00 N ATOM 539 CA GLN A 38 11.737 -8.952 -8.048 1.00 0.00 C ATOM 540 C GLN A 38 11.008 -9.755 -6.969 1.00 0.00 C ATOM 541 O GLN A 38 9.805 -9.923 -7.016 1.00 0.00 O ATOM 542 CB GLN A 38 12.260 -9.899 -9.129 1.00 0.00 C ATOM 543 CG GLN A 38 11.100 -10.727 -9.689 1.00 0.00 C ATOM 544 CD GLN A 38 11.595 -12.134 -10.032 1.00 0.00 C ATOM 545 OE1 GLN A 38 11.022 -13.115 -9.602 1.00 0.00 O ATOM 546 NE2 GLN A 38 12.644 -12.274 -10.796 1.00 0.00 N ATOM 0 H GLN A 38 13.763 -8.280 -7.936 1.00 0.00 H new ATOM 0 HA GLN A 38 11.044 -8.241 -8.498 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.733 -9.329 -9.929 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.023 -10.557 -8.713 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.293 -10.782 -8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.693 -10.247 -10.579 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.125 -11.450 -11.157 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.982 -13.207 -11.032 1.00 0.00 H new ATOM 555 N GLU A 39 11.720 -10.250 -5.997 1.00 0.00 N ATOM 556 CA GLU A 39 11.056 -11.034 -4.919 1.00 0.00 C ATOM 557 C GLU A 39 10.205 -10.089 -4.072 1.00 0.00 C ATOM 558 O GLU A 39 9.096 -10.404 -3.690 1.00 0.00 O ATOM 559 CB GLU A 39 12.117 -11.694 -4.036 1.00 0.00 C ATOM 560 CG GLU A 39 12.780 -12.842 -4.801 1.00 0.00 C ATOM 561 CD GLU A 39 12.856 -14.076 -3.901 1.00 0.00 C ATOM 562 OE1 GLU A 39 11.889 -14.820 -3.865 1.00 0.00 O ATOM 563 OE2 GLU A 39 13.881 -14.258 -3.264 1.00 0.00 O ATOM 0 H GLU A 39 12.730 -10.146 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 39 10.426 -11.806 -5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.867 -10.960 -3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.660 -12.070 -3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.210 -13.070 -5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.780 -12.550 -5.122 1.00 0.00 H new ATOM 570 N MET A 40 10.721 -8.930 -3.779 1.00 0.00 N ATOM 571 CA MET A 40 9.959 -7.951 -2.960 1.00 0.00 C ATOM 572 C MET A 40 8.673 -7.586 -3.702 1.00 0.00 C ATOM 573 O MET A 40 7.572 -7.799 -3.222 1.00 0.00 O ATOM 574 CB MET A 40 10.814 -6.697 -2.793 1.00 0.00 C ATOM 575 CG MET A 40 10.379 -5.928 -1.547 1.00 0.00 C ATOM 576 SD MET A 40 11.345 -6.498 -0.127 1.00 0.00 S ATOM 577 CE MET A 40 10.019 -6.427 1.101 1.00 0.00 C ATOM 0 H MET A 40 11.646 -8.617 -4.075 1.00 0.00 H new ATOM 0 HA MET A 40 9.716 -8.373 -1.985 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.865 -6.972 -2.711 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.718 -6.062 -3.674 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.526 -4.858 -1.696 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.316 -6.081 -1.363 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.257 -5.672 1.850 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.081 -6.167 0.609 1.00 0.00 H new ATOM 0 HE3 MET A 40 9.918 -7.399 1.584 1.00 0.00 H new ATOM 587 N LYS A 41 8.815 -7.038 -4.877 1.00 0.00 N ATOM 588 CA LYS A 41 7.617 -6.652 -5.675 1.00 0.00 C ATOM 589 C LYS A 41 6.646 -7.836 -5.747 1.00 0.00 C ATOM 590 O LYS A 41 5.445 -7.674 -5.641 1.00 0.00 O ATOM 591 CB LYS A 41 8.058 -6.256 -7.088 1.00 0.00 C ATOM 592 CG LYS A 41 6.839 -6.196 -8.011 1.00 0.00 C ATOM 593 CD LYS A 41 7.116 -5.224 -9.160 1.00 0.00 C ATOM 594 CE LYS A 41 7.813 -5.966 -10.303 1.00 0.00 C ATOM 595 NZ LYS A 41 9.276 -5.680 -10.262 1.00 0.00 N ATOM 0 H LYS A 41 9.712 -6.840 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 41 7.116 -5.808 -5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.557 -5.287 -7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.780 -6.978 -7.470 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.619 -7.188 -8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.961 -5.873 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.182 -4.787 -9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.741 -4.402 -8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.639 -7.038 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.397 -5.653 -11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.750 -6.184 -11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.433 -4.657 -10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.667 -5.999 -9.353 1.00 0.00 H new ATOM 609 N ALA A 42 7.157 -9.025 -5.924 1.00 0.00 N ATOM 610 CA ALA A 42 6.265 -10.216 -6.001 1.00 0.00 C ATOM 611 C ALA A 42 5.447 -10.325 -4.713 1.00 0.00 C ATOM 612 O ALA A 42 4.251 -10.555 -4.737 1.00 0.00 O ATOM 613 CB ALA A 42 7.114 -11.479 -6.169 1.00 0.00 C ATOM 0 H ALA A 42 8.153 -9.222 -6.018 1.00 0.00 H new ATOM 0 HA ALA A 42 5.593 -10.111 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.462 -12.351 -6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.700 -11.404 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.785 -11.582 -5.316 1.00 0.00 H new ATOM 619 N ARG A 43 6.085 -10.167 -3.587 1.00 0.00 N ATOM 620 CA ARG A 43 5.352 -10.267 -2.297 1.00 0.00 C ATOM 621 C ARG A 43 4.247 -9.210 -2.244 1.00 0.00 C ATOM 622 O ARG A 43 3.112 -9.504 -1.918 1.00 0.00 O ATOM 623 CB ARG A 43 6.328 -10.053 -1.137 1.00 0.00 C ATOM 624 CG ARG A 43 6.890 -11.405 -0.691 1.00 0.00 C ATOM 625 CD ARG A 43 7.567 -12.092 -1.878 1.00 0.00 C ATOM 626 NE ARG A 43 7.798 -13.530 -1.559 1.00 0.00 N ATOM 627 CZ ARG A 43 6.853 -14.408 -1.768 1.00 0.00 C ATOM 628 NH1 ARG A 43 6.100 -14.323 -2.830 1.00 0.00 N ATOM 629 NH2 ARG A 43 6.665 -15.374 -0.912 1.00 0.00 N ATOM 0 H ARG A 43 7.083 -9.973 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 43 4.902 -11.256 -2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.139 -9.394 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.820 -9.565 -0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.606 -11.264 0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.089 -12.033 -0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.943 -12.002 -2.767 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.515 -11.602 -2.103 1.00 0.00 H new ATOM 0 HE ARG A 43 8.695 -13.829 -1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.248 -13.569 -3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.363 -15.010 -2.989 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.255 -15.442 -0.083 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.928 -16.061 -1.072 1.00 0.00 H new ATOM 643 N CYS A 44 4.561 -7.978 -2.556 1.00 0.00 N ATOM 644 CA CYS A 44 3.508 -6.924 -2.512 1.00 0.00 C ATOM 645 C CYS A 44 2.351 -7.288 -3.437 1.00 0.00 C ATOM 646 O CYS A 44 1.213 -6.985 -3.153 1.00 0.00 O ATOM 647 CB CYS A 44 4.069 -5.578 -2.947 1.00 0.00 C ATOM 648 SG CYS A 44 4.903 -4.805 -1.549 1.00 0.00 S ATOM 0 H CYS A 44 5.489 -7.661 -2.836 1.00 0.00 H new ATOM 0 HA CYS A 44 3.155 -6.856 -1.483 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.767 -5.711 -3.774 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.266 -4.935 -3.308 1.00 0.00 H new ATOM 653 N CYS A 45 2.621 -7.924 -4.547 1.00 0.00 N ATOM 654 CA CYS A 45 1.507 -8.285 -5.467 1.00 0.00 C ATOM 655 C CYS A 45 0.678 -9.398 -4.834 1.00 0.00 C ATOM 656 O CYS A 45 -0.515 -9.485 -5.040 1.00 0.00 O ATOM 657 CB CYS A 45 2.062 -8.740 -6.819 1.00 0.00 C ATOM 658 SG CYS A 45 2.500 -7.297 -7.836 1.00 0.00 S ATOM 0 H CYS A 45 3.553 -8.205 -4.852 1.00 0.00 H new ATOM 0 HA CYS A 45 0.876 -7.412 -5.633 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.940 -9.367 -6.667 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.322 -9.349 -7.338 1.00 0.00 H new ATOM 663 N ARG A 46 1.288 -10.242 -4.045 1.00 0.00 N ATOM 664 CA ARG A 46 0.499 -11.320 -3.393 1.00 0.00 C ATOM 665 C ARG A 46 -0.407 -10.666 -2.354 1.00 0.00 C ATOM 666 O ARG A 46 -1.536 -11.074 -2.145 1.00 0.00 O ATOM 667 CB ARG A 46 1.437 -12.317 -2.710 1.00 0.00 C ATOM 668 CG ARG A 46 0.718 -13.658 -2.546 1.00 0.00 C ATOM 669 CD ARG A 46 0.055 -13.720 -1.170 1.00 0.00 C ATOM 670 NE ARG A 46 0.115 -15.117 -0.653 1.00 0.00 N ATOM 671 CZ ARG A 46 0.645 -15.355 0.514 1.00 0.00 C ATOM 672 NH1 ARG A 46 1.943 -15.340 0.657 1.00 0.00 N ATOM 673 NH2 ARG A 46 -0.122 -15.611 1.538 1.00 0.00 N ATOM 0 H ARG A 46 2.284 -10.231 -3.828 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.092 -11.859 -4.133 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.342 -12.447 -3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.746 -11.935 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.032 -13.778 -3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.427 -14.478 -2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.560 -13.043 -0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.982 -13.390 -1.239 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.258 -15.885 -1.211 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.542 -15.142 -0.144 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.358 -15.526 1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.136 -15.625 1.425 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.292 -15.797 2.451 1.00 0.00 H new ATOM 687 N GLN A 47 0.075 -9.633 -1.712 1.00 0.00 N ATOM 688 CA GLN A 47 -0.762 -8.928 -0.698 1.00 0.00 C ATOM 689 C GLN A 47 -1.782 -8.046 -1.427 1.00 0.00 C ATOM 690 O GLN A 47 -2.847 -7.753 -0.920 1.00 0.00 O ATOM 691 CB GLN A 47 0.131 -8.056 0.190 1.00 0.00 C ATOM 692 CG GLN A 47 1.376 -8.847 0.601 1.00 0.00 C ATOM 693 CD GLN A 47 1.455 -8.924 2.127 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.450 -9.079 2.794 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.616 -8.822 2.714 1.00 0.00 N ATOM 0 H GLN A 47 1.010 -9.249 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.281 -9.656 -0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.422 -7.152 -0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.419 -7.738 1.076 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.338 -9.851 0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.271 -8.368 0.204 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.460 -8.692 2.156 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.680 -8.872 3.731 1.00 0.00 H new ATOM 704 N LEU A 48 -1.455 -7.629 -2.619 1.00 0.00 N ATOM 705 CA LEU A 48 -2.376 -6.773 -3.413 1.00 0.00 C ATOM 706 C LEU A 48 -3.551 -7.633 -3.881 1.00 0.00 C ATOM 707 O LEU A 48 -4.676 -7.181 -3.956 1.00 0.00 O ATOM 708 CB LEU A 48 -1.606 -6.221 -4.625 1.00 0.00 C ATOM 709 CG LEU A 48 -2.277 -4.961 -5.189 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.479 -5.350 -6.046 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.735 -4.051 -4.048 1.00 0.00 C ATOM 0 H LEU A 48 -0.574 -7.850 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.751 -5.942 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.582 -5.990 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.551 -6.984 -5.401 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.554 -4.426 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.950 -4.450 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.149 -5.981 -6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.198 -5.897 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.209 -3.161 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.449 -4.585 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.873 -3.758 -3.448 1.00 0.00 H new ATOM 723 N GLU A 49 -3.297 -8.881 -4.177 1.00 0.00 N ATOM 724 CA GLU A 49 -4.398 -9.780 -4.616 1.00 0.00 C ATOM 725 C GLU A 49 -5.203 -10.194 -3.386 1.00 0.00 C ATOM 726 O GLU A 49 -6.388 -9.942 -3.297 1.00 0.00 O ATOM 727 CB GLU A 49 -3.816 -11.024 -5.293 1.00 0.00 C ATOM 728 CG GLU A 49 -3.090 -10.618 -6.576 1.00 0.00 C ATOM 729 CD GLU A 49 -3.880 -11.114 -7.789 1.00 0.00 C ATOM 730 OE1 GLU A 49 -5.094 -11.191 -7.690 1.00 0.00 O ATOM 731 OE2 GLU A 49 -3.257 -11.411 -8.796 1.00 0.00 O ATOM 0 H GLU A 49 -2.374 -9.314 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.040 -9.261 -5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.126 -11.529 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.613 -11.732 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.982 -9.534 -6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.085 -11.039 -6.586 1.00 0.00 H new ATOM 738 N ALA A 50 -4.564 -10.810 -2.422 1.00 0.00 N ATOM 739 CA ALA A 50 -5.302 -11.209 -1.191 1.00 0.00 C ATOM 740 C ALA A 50 -6.144 -10.016 -0.747 1.00 0.00 C ATOM 741 O ALA A 50 -7.250 -10.154 -0.268 1.00 0.00 O ATOM 742 CB ALA A 50 -4.306 -11.577 -0.089 1.00 0.00 C ATOM 0 H ALA A 50 -3.573 -11.051 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.937 -12.073 -1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.849 -11.868 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.685 -12.408 -0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.674 -10.717 0.132 1.00 0.00 H new ATOM 748 N ILE A 51 -5.618 -8.838 -0.943 1.00 0.00 N ATOM 749 CA ILE A 51 -6.352 -7.593 -0.589 1.00 0.00 C ATOM 750 C ILE A 51 -7.318 -7.270 -1.734 1.00 0.00 C ATOM 751 O ILE A 51 -6.886 -6.876 -2.799 1.00 0.00 O ATOM 752 CB ILE A 51 -5.360 -6.441 -0.413 1.00 0.00 C ATOM 753 CG1 ILE A 51 -4.497 -6.691 0.826 1.00 0.00 C ATOM 754 CG2 ILE A 51 -6.131 -5.132 -0.238 1.00 0.00 C ATOM 755 CD1 ILE A 51 -5.346 -6.512 2.087 1.00 0.00 C ATOM 0 H ILE A 51 -4.692 -8.685 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.900 -7.729 0.343 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.720 -6.376 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.081 -7.698 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.655 -5.999 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.427 -4.309 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.746 -4.952 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.770 -5.201 0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.730 -6.690 2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.740 -5.496 2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.173 -7.222 2.073 1.00 0.00 H new ATOM 767 N PRO A 52 -8.592 -7.485 -1.512 1.00 0.00 N ATOM 768 CA PRO A 52 -9.612 -7.259 -2.551 1.00 0.00 C ATOM 769 C PRO A 52 -9.641 -5.791 -2.976 1.00 0.00 C ATOM 770 O PRO A 52 -9.340 -4.900 -2.208 1.00 0.00 O ATOM 771 CB PRO A 52 -10.917 -7.722 -1.893 1.00 0.00 C ATOM 772 CG PRO A 52 -10.659 -7.701 -0.372 1.00 0.00 C ATOM 773 CD PRO A 52 -9.141 -7.901 -0.204 1.00 0.00 C ATOM 0 HA PRO A 52 -9.420 -7.804 -3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.743 -7.061 -2.158 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.189 -8.723 -2.229 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.980 -6.756 0.067 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.216 -8.492 0.131 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.744 -7.294 0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.895 -8.938 0.023 1.00 0.00 H new ATOM 781 N ALA A 53 -9.965 -5.546 -4.217 1.00 0.00 N ATOM 782 CA ALA A 53 -9.980 -4.149 -4.737 1.00 0.00 C ATOM 783 C ALA A 53 -10.964 -3.280 -3.955 1.00 0.00 C ATOM 784 O ALA A 53 -10.717 -2.110 -3.742 1.00 0.00 O ATOM 785 CB ALA A 53 -10.370 -4.168 -6.211 1.00 0.00 C ATOM 0 H ALA A 53 -10.222 -6.260 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.984 -3.723 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.383 -3.149 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.646 -4.759 -6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.361 -4.610 -6.320 1.00 0.00 H new ATOM 791 N TYR A 54 -12.071 -3.823 -3.519 1.00 0.00 N ATOM 792 CA TYR A 54 -13.034 -2.985 -2.747 1.00 0.00 C ATOM 793 C TYR A 54 -12.245 -2.183 -1.715 1.00 0.00 C ATOM 794 O TYR A 54 -12.632 -1.104 -1.311 1.00 0.00 O ATOM 795 CB TYR A 54 -14.060 -3.872 -2.039 1.00 0.00 C ATOM 796 CG TYR A 54 -15.347 -3.100 -1.875 1.00 0.00 C ATOM 797 CD1 TYR A 54 -16.301 -3.107 -2.899 1.00 0.00 C ATOM 798 CD2 TYR A 54 -15.582 -2.371 -0.703 1.00 0.00 C ATOM 799 CE1 TYR A 54 -17.491 -2.384 -2.752 1.00 0.00 C ATOM 800 CE2 TYR A 54 -16.774 -1.650 -0.555 1.00 0.00 C ATOM 801 CZ TYR A 54 -17.727 -1.657 -1.580 1.00 0.00 C ATOM 802 OH TYR A 54 -18.900 -0.945 -1.435 1.00 0.00 O ATOM 0 H TYR A 54 -12.347 -4.795 -3.661 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.568 -2.316 -3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -14.236 -4.779 -2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -13.681 -4.183 -1.066 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -16.119 -3.670 -3.803 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -14.845 -2.364 0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -18.226 -2.387 -3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -16.957 -1.089 0.350 1.00 0.00 H new ATOM 0 HH TYR A 54 -18.906 -0.498 -0.563 1.00 0.00 H new ATOM 812 N CYS A 55 -11.124 -2.708 -1.305 1.00 0.00 N ATOM 813 CA CYS A 55 -10.271 -1.995 -0.317 1.00 0.00 C ATOM 814 C CYS A 55 -8.924 -1.649 -0.972 1.00 0.00 C ATOM 815 O CYS A 55 -8.668 -0.506 -1.292 1.00 0.00 O ATOM 816 CB CYS A 55 -10.037 -2.891 0.902 1.00 0.00 C ATOM 817 SG CYS A 55 -11.606 -3.632 1.420 1.00 0.00 S ATOM 0 H CYS A 55 -10.760 -3.609 -1.616 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.768 -1.079 0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.317 -3.672 0.659 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.611 -2.308 1.719 1.00 0.00 H new ATOM 822 N ARG A 56 -8.073 -2.633 -1.172 1.00 0.00 N ATOM 823 CA ARG A 56 -6.734 -2.388 -1.803 1.00 0.00 C ATOM 824 C ARG A 56 -6.224 -0.987 -1.436 1.00 0.00 C ATOM 825 O ARG A 56 -5.680 -0.791 -0.369 1.00 0.00 O ATOM 826 CB ARG A 56 -6.844 -2.537 -3.326 1.00 0.00 C ATOM 827 CG ARG A 56 -6.460 -3.970 -3.716 1.00 0.00 C ATOM 828 CD ARG A 56 -6.607 -4.165 -5.228 1.00 0.00 C ATOM 829 NE ARG A 56 -6.856 -5.612 -5.515 1.00 0.00 N ATOM 830 CZ ARG A 56 -7.475 -5.984 -6.607 1.00 0.00 C ATOM 831 NH1 ARG A 56 -7.934 -5.097 -7.444 1.00 0.00 N ATOM 832 NH2 ARG A 56 -7.635 -7.255 -6.858 1.00 0.00 N ATOM 0 H ARG A 56 -8.253 -3.605 -0.922 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.022 -3.123 -1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.860 -2.317 -3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.187 -1.823 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.433 -4.174 -3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.095 -4.681 -3.187 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.431 -3.560 -5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.704 -3.830 -5.739 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.539 -6.318 -4.851 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.812 -4.103 -7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.415 -5.397 -8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.279 -7.953 -6.205 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.117 -7.550 -7.707 1.00 0.00 H new ATOM 846 N CYS A 57 -6.384 -0.016 -2.310 1.00 0.00 N ATOM 847 CA CYS A 57 -5.898 1.372 -2.000 1.00 0.00 C ATOM 848 C CYS A 57 -6.025 1.685 -0.492 1.00 0.00 C ATOM 849 O CYS A 57 -5.053 2.044 0.139 1.00 0.00 O ATOM 850 CB CYS A 57 -6.703 2.390 -2.816 1.00 0.00 C ATOM 851 SG CYS A 57 -6.194 2.293 -4.553 1.00 0.00 S ATOM 0 H CYS A 57 -6.829 -0.124 -3.222 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.844 1.437 -2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.770 2.186 -2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.537 3.396 -2.431 1.00 0.00 H new ATOM 856 N GLU A 58 -7.201 1.566 0.091 1.00 0.00 N ATOM 857 CA GLU A 58 -7.364 1.863 1.552 1.00 0.00 C ATOM 858 C GLU A 58 -6.119 1.431 2.346 1.00 0.00 C ATOM 859 O GLU A 58 -5.556 2.213 3.085 1.00 0.00 O ATOM 860 CB GLU A 58 -8.585 1.112 2.087 1.00 0.00 C ATOM 861 CG GLU A 58 -9.512 2.091 2.809 1.00 0.00 C ATOM 862 CD GLU A 58 -10.722 1.335 3.365 1.00 0.00 C ATOM 863 OE1 GLU A 58 -10.726 0.119 3.280 1.00 0.00 O ATOM 864 OE2 GLU A 58 -11.623 1.987 3.866 1.00 0.00 O ATOM 0 H GLU A 58 -8.055 1.275 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.497 2.938 1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.116 0.630 1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.269 0.323 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.976 2.586 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.841 2.870 2.122 1.00 0.00 H new ATOM 871 N ALA A 59 -5.698 0.194 2.216 1.00 0.00 N ATOM 872 CA ALA A 59 -4.496 -0.289 2.973 1.00 0.00 C ATOM 873 C ALA A 59 -3.456 0.828 3.086 1.00 0.00 C ATOM 874 O ALA A 59 -2.987 1.159 4.162 1.00 0.00 O ATOM 875 CB ALA A 59 -3.880 -1.483 2.240 1.00 0.00 C ATOM 0 H ALA A 59 -6.136 -0.505 1.616 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.805 -0.588 3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.006 -1.835 2.788 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.614 -2.286 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.580 -1.179 1.237 1.00 0.00 H new ATOM 881 N VAL A 60 -3.095 1.414 1.985 1.00 0.00 N ATOM 882 CA VAL A 60 -2.097 2.515 2.019 1.00 0.00 C ATOM 883 C VAL A 60 -2.567 3.575 3.016 1.00 0.00 C ATOM 884 O VAL A 60 -1.831 3.995 3.882 1.00 0.00 O ATOM 885 CB VAL A 60 -1.978 3.143 0.631 1.00 0.00 C ATOM 886 CG1 VAL A 60 -0.736 4.034 0.582 1.00 0.00 C ATOM 887 CG2 VAL A 60 -1.855 2.038 -0.421 1.00 0.00 C ATOM 0 H VAL A 60 -3.449 1.178 1.058 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.125 2.123 2.320 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.865 3.742 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.649 4.483 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.823 4.821 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.151 3.434 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.770 2.486 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.968 1.438 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.739 1.402 -0.385 1.00 0.00 H new ATOM 897 N ARG A 61 -3.794 4.007 2.897 1.00 0.00 N ATOM 898 CA ARG A 61 -4.323 5.039 3.834 1.00 0.00 C ATOM 899 C ARG A 61 -4.117 4.581 5.282 1.00 0.00 C ATOM 900 O ARG A 61 -3.970 5.382 6.177 1.00 0.00 O ATOM 901 CB ARG A 61 -5.817 5.240 3.576 1.00 0.00 C ATOM 902 CG ARG A 61 -6.031 6.527 2.778 1.00 0.00 C ATOM 903 CD ARG A 61 -7.519 6.881 2.767 1.00 0.00 C ATOM 904 NE ARG A 61 -8.101 6.630 4.116 1.00 0.00 N ATOM 905 CZ ARG A 61 -8.249 7.618 4.955 1.00 0.00 C ATOM 906 NH1 ARG A 61 -7.316 8.523 5.067 1.00 0.00 N ATOM 907 NH2 ARG A 61 -9.329 7.701 5.683 1.00 0.00 N ATOM 0 H ARG A 61 -4.455 3.688 2.188 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.791 5.977 3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.219 4.389 3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.356 5.293 4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.456 7.341 3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.670 6.399 1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.653 7.927 2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.040 6.284 2.018 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.383 5.687 4.383 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.471 8.458 4.499 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.431 9.296 5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.058 6.993 5.596 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.444 8.474 6.339 1.00 0.00 H new ATOM 921 N ILE A 62 -4.118 3.301 5.522 1.00 0.00 N ATOM 922 CA ILE A 62 -3.928 2.801 6.917 1.00 0.00 C ATOM 923 C ILE A 62 -2.452 2.877 7.304 1.00 0.00 C ATOM 924 O ILE A 62 -2.117 3.042 8.460 1.00 0.00 O ATOM 925 CB ILE A 62 -4.416 1.348 7.005 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.940 1.332 7.136 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.796 0.655 8.224 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.434 -0.114 7.144 1.00 0.00 C ATOM 0 H ILE A 62 -4.242 2.577 4.815 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.503 3.421 7.605 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.115 0.817 6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.242 1.836 8.054 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.393 1.878 6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.149 -0.375 8.276 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.710 0.662 8.133 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.087 1.185 9.131 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.520 -0.127 7.237 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.144 -0.603 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.991 -0.645 7.986 1.00 0.00 H new ATOM 940 N LEU A 63 -1.562 2.746 6.366 1.00 0.00 N ATOM 941 CA LEU A 63 -0.121 2.811 6.726 1.00 0.00 C ATOM 942 C LEU A 63 0.287 4.268 6.950 1.00 0.00 C ATOM 943 O LEU A 63 0.994 4.584 7.885 1.00 0.00 O ATOM 944 CB LEU A 63 0.724 2.200 5.608 1.00 0.00 C ATOM 945 CG LEU A 63 2.108 1.836 6.151 1.00 0.00 C ATOM 946 CD1 LEU A 63 1.996 0.606 7.053 1.00 0.00 C ATOM 947 CD2 LEU A 63 3.048 1.527 4.985 1.00 0.00 C ATOM 0 H LEU A 63 -1.764 2.598 5.377 1.00 0.00 H new ATOM 0 HA LEU A 63 0.045 2.246 7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.233 1.312 5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.820 2.906 4.783 1.00 0.00 H new ATOM 0 HG LEU A 63 2.503 2.673 6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.982 0.347 7.439 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.326 0.824 7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.600 -0.232 6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.034 1.268 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.652 0.690 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.129 2.403 4.341 1.00 0.00 H new ATOM 959 N MET A 64 -0.148 5.156 6.104 1.00 0.00 N ATOM 960 CA MET A 64 0.219 6.588 6.279 1.00 0.00 C ATOM 961 C MET A 64 -0.648 7.220 7.374 1.00 0.00 C ATOM 962 O MET A 64 -0.148 7.845 8.287 1.00 0.00 O ATOM 963 CB MET A 64 0.002 7.336 4.959 1.00 0.00 C ATOM 964 CG MET A 64 0.640 8.724 5.049 1.00 0.00 C ATOM 965 SD MET A 64 2.440 8.567 4.944 1.00 0.00 S ATOM 966 CE MET A 64 2.519 8.014 3.223 1.00 0.00 C ATOM 0 H MET A 64 -0.741 4.954 5.299 1.00 0.00 H new ATOM 0 HA MET A 64 1.267 6.656 6.570 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.441 6.775 4.134 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.064 7.427 4.751 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.272 9.358 4.243 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.360 9.205 5.986 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.383 8.465 2.735 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.611 6.928 3.194 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.610 8.315 2.702 1.00 0.00 H new ATOM 976 N ASP A 65 -1.946 7.067 7.291 1.00 0.00 N ATOM 977 CA ASP A 65 -2.833 7.670 8.334 1.00 0.00 C ATOM 978 C ASP A 65 -2.845 6.786 9.586 1.00 0.00 C ATOM 979 O ASP A 65 -3.162 7.241 10.668 1.00 0.00 O ATOM 980 CB ASP A 65 -4.269 7.901 7.805 1.00 0.00 C ATOM 981 CG ASP A 65 -4.297 9.187 6.978 1.00 0.00 C ATOM 982 OD1 ASP A 65 -3.912 10.217 7.507 1.00 0.00 O ATOM 983 OD2 ASP A 65 -4.702 9.121 5.829 1.00 0.00 O ATOM 0 H ASP A 65 -2.428 6.555 6.552 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.429 8.648 8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.586 7.055 7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.969 7.974 8.637 1.00 0.00 H new ATOM 988 N GLY A 66 -2.514 5.525 9.459 1.00 0.00 N ATOM 989 CA GLY A 66 -2.523 4.636 10.651 1.00 0.00 C ATOM 990 C GLY A 66 -3.927 4.059 10.854 1.00 0.00 C ATOM 991 O GLY A 66 -4.922 4.700 10.581 1.00 0.00 O ATOM 0 H GLY A 66 -2.240 5.078 8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.803 3.828 10.520 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.218 5.195 11.536 1.00 0.00 H new ATOM 995 N VAL A 67 -4.006 2.849 11.332 1.00 0.00 N ATOM 996 CA VAL A 67 -5.332 2.205 11.562 1.00 0.00 C ATOM 997 C VAL A 67 -5.506 1.923 13.057 1.00 0.00 C ATOM 998 O VAL A 67 -4.548 1.880 13.807 1.00 0.00 O ATOM 999 CB VAL A 67 -5.416 0.891 10.787 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.169 0.051 11.071 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -6.660 0.118 11.233 1.00 0.00 C ATOM 0 H VAL A 67 -3.201 2.272 11.576 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.120 2.875 11.218 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.478 1.101 9.719 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.228 -0.887 10.518 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.281 0.601 10.759 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.108 -0.160 12.139 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.723 -0.820 10.682 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.594 -0.092 12.301 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.550 0.715 11.035 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.724 1.752 13.499 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.962 1.500 14.947 1.00 0.00 C ATOM 1013 C VAL A 68 -7.522 0.089 15.145 1.00 0.00 C ATOM 1014 O VAL A 68 -8.053 -0.523 14.240 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.949 2.542 15.496 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -8.592 2.032 16.793 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -7.192 3.838 15.790 1.00 0.00 C ATOM 0 H VAL A 68 -7.563 1.776 12.919 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.019 1.583 15.487 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.730 2.719 14.757 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.289 2.779 17.172 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.128 1.104 16.593 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.816 1.850 17.537 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.885 4.584 16.180 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.413 3.645 16.528 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.738 4.210 14.872 1.00 0.00 H new ATOM 1027 N THR A 69 -7.366 -0.431 16.329 1.00 0.00 N ATOM 1028 CA THR A 69 -7.835 -1.810 16.632 1.00 0.00 C ATOM 1029 C THR A 69 -8.923 -1.757 17.702 1.00 0.00 C ATOM 1030 O THR A 69 -9.059 -0.790 18.424 1.00 0.00 O ATOM 1031 CB THR A 69 -6.659 -2.649 17.143 1.00 0.00 C ATOM 1032 OG1 THR A 69 -5.974 -1.935 18.163 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.699 -2.941 15.989 1.00 0.00 C ATOM 0 H THR A 69 -6.925 0.050 17.113 1.00 0.00 H new ATOM 0 HA THR A 69 -8.239 -2.262 15.726 1.00 0.00 H new ATOM 0 HB THR A 69 -7.034 -3.589 17.548 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.460 -1.203 17.762 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.863 -3.538 16.353 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.225 -3.491 15.209 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.324 -2.002 15.581 1.00 0.00 H new ATOM 1041 N SER A 70 -9.715 -2.785 17.784 1.00 0.00 N ATOM 1042 CA SER A 70 -10.819 -2.818 18.783 1.00 0.00 C ATOM 1043 C SER A 70 -10.249 -2.759 20.199 1.00 0.00 C ATOM 1044 O SER A 70 -10.836 -2.189 21.096 1.00 0.00 O ATOM 1045 CB SER A 70 -11.615 -4.110 18.603 1.00 0.00 C ATOM 1046 OG SER A 70 -12.857 -3.996 19.285 1.00 0.00 O ATOM 0 H SER A 70 -9.645 -3.615 17.195 1.00 0.00 H new ATOM 0 HA SER A 70 -11.470 -1.957 18.631 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.785 -4.301 17.543 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.049 -4.956 18.993 1.00 0.00 H new ATOM 0 HG SER A 70 -13.370 -4.823 19.170 1.00 0.00 H new ATOM 1052 N SER A 71 -9.112 -3.348 20.400 1.00 0.00 N ATOM 1053 CA SER A 71 -8.493 -3.336 21.758 1.00 0.00 C ATOM 1054 C SER A 71 -8.112 -1.904 22.133 1.00 0.00 C ATOM 1055 O SER A 71 -7.831 -1.604 23.276 1.00 0.00 O ATOM 1056 CB SER A 71 -7.238 -4.208 21.756 1.00 0.00 C ATOM 1057 OG SER A 71 -6.515 -3.990 20.552 1.00 0.00 O ATOM 0 H SER A 71 -8.578 -3.841 19.684 1.00 0.00 H new ATOM 0 HA SER A 71 -9.207 -3.726 22.483 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.614 -3.968 22.617 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.512 -5.259 21.844 1.00 0.00 H new ATOM 0 HG SER A 71 -5.709 -4.547 20.549 1.00 0.00 H new ATOM 1063 N GLY A 72 -8.087 -1.021 21.176 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.711 0.388 21.472 1.00 0.00 C ATOM 1065 C GLY A 72 -6.245 0.599 21.074 1.00 0.00 C ATOM 1066 O GLY A 72 -5.658 1.624 21.359 1.00 0.00 O ATOM 0 H GLY A 72 -8.311 -1.214 20.200 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.355 1.074 20.922 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.849 0.601 22.532 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.645 -0.370 20.423 1.00 0.00 N ATOM 1071 CA GLN A 73 -4.218 -0.224 20.017 1.00 0.00 C ATOM 1072 C GLN A 73 -4.146 0.361 18.605 1.00 0.00 C ATOM 1073 O GLN A 73 -5.071 0.253 17.836 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.543 -1.598 20.035 1.00 0.00 C ATOM 1075 CG GLN A 73 -3.580 -2.169 21.454 1.00 0.00 C ATOM 1076 CD GLN A 73 -2.235 -1.925 22.139 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -1.194 -2.050 21.523 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -2.209 -1.583 23.398 1.00 0.00 N ATOM 0 H GLN A 73 -6.084 -1.252 20.158 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.708 0.443 20.712 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.052 -2.273 19.347 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.511 -1.512 19.693 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.381 -1.700 22.025 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.795 -3.237 21.422 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.081 -1.478 23.916 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.316 -1.421 23.864 1.00 0.00 H new ATOM 1087 N HIS A 74 -3.053 0.981 18.253 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.941 1.563 16.893 1.00 0.00 C ATOM 1089 C HIS A 74 -1.830 0.837 16.141 1.00 0.00 C ATOM 1090 O HIS A 74 -0.939 0.264 16.735 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.583 3.040 17.002 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.791 3.834 17.425 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -4.854 3.529 18.238 1.00 0.00 N flip ATOM 1094 CD2 HIS A 74 -4.003 5.137 16.999 1.00 0.00 C flip ATOM 1095 CE1 HIS A 74 -5.712 4.622 18.318 1.00 0.00 C flip ATOM 1096 NE2 HIS A 74 -5.152 5.563 17.554 1.00 0.00 N flip ATOM 0 H HIS A 74 -2.236 1.108 18.850 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.888 1.455 16.365 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.778 3.175 17.724 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.215 3.405 16.043 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.362 5.706 16.342 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -6.633 4.694 18.878 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.547 6.492 17.409 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.877 0.840 14.841 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.821 0.129 14.069 1.00 0.00 C ATOM 1106 C GLU A 75 -0.445 0.920 12.821 1.00 0.00 C ATOM 1107 O GLU A 75 -0.873 2.041 12.625 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.328 -1.254 13.666 1.00 0.00 C ATOM 1109 CG GLU A 75 -2.131 -1.859 14.819 1.00 0.00 C ATOM 1110 CD GLU A 75 -1.977 -3.381 14.805 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -0.902 -3.844 14.461 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -2.936 -4.057 15.141 1.00 0.00 O ATOM 0 H GLU A 75 -2.595 1.300 14.281 1.00 0.00 H new ATOM 0 HA GLU A 75 0.064 0.028 14.697 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.951 -1.179 12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.488 -1.902 13.414 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.782 -1.456 15.770 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.183 -1.588 14.725 1.00 0.00 H new ATOM 1119 N GLY A 76 0.367 0.342 11.979 1.00 0.00 N ATOM 1120 CA GLY A 76 0.792 1.055 10.745 1.00 0.00 C ATOM 1121 C GLY A 76 1.277 2.453 11.122 1.00 0.00 C ATOM 1122 O GLY A 76 1.841 2.663 12.177 1.00 0.00 O ATOM 0 H GLY A 76 0.754 -0.595 12.094 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.588 0.502 10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.039 1.121 10.043 1.00 0.00 H new ATOM 1126 N ARG A 77 1.054 3.415 10.273 1.00 0.00 N ATOM 1127 CA ARG A 77 1.496 4.803 10.587 1.00 0.00 C ATOM 1128 C ARG A 77 3.005 4.824 10.876 1.00 0.00 C ATOM 1129 O ARG A 77 3.517 5.757 11.460 1.00 0.00 O ATOM 1130 CB ARG A 77 0.738 5.306 11.819 1.00 0.00 C ATOM 1131 CG ARG A 77 0.341 6.769 11.612 1.00 0.00 C ATOM 1132 CD ARG A 77 0.865 7.611 12.777 1.00 0.00 C ATOM 1133 NE ARG A 77 -0.261 8.374 13.386 1.00 0.00 N ATOM 1134 CZ ARG A 77 -0.750 8.005 14.537 1.00 0.00 C ATOM 1135 NH1 ARG A 77 0.014 7.988 15.595 1.00 0.00 N ATOM 1136 NH2 ARG A 77 -2.004 7.656 14.631 1.00 0.00 N ATOM 0 H ARG A 77 0.585 3.301 9.375 1.00 0.00 H new ATOM 0 HA ARG A 77 1.288 5.447 9.733 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.151 4.697 11.986 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.362 5.210 12.707 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.749 7.138 10.671 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.743 6.856 11.545 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.329 6.968 13.525 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.635 8.298 12.426 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.649 9.184 12.903 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.993 8.263 15.521 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.368 7.699 16.496 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.601 7.672 13.804 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.387 7.367 15.531 1.00 0.00 H new ATOM 1150 N LEU A 78 3.722 3.802 10.478 1.00 0.00 N ATOM 1151 CA LEU A 78 5.190 3.772 10.743 1.00 0.00 C ATOM 1152 C LEU A 78 5.939 4.555 9.656 1.00 0.00 C ATOM 1153 O LEU A 78 7.112 4.843 9.794 1.00 0.00 O ATOM 1154 CB LEU A 78 5.677 2.318 10.758 1.00 0.00 C ATOM 1155 CG LEU A 78 5.852 1.854 12.205 1.00 0.00 C ATOM 1156 CD1 LEU A 78 4.905 0.685 12.484 1.00 0.00 C ATOM 1157 CD2 LEU A 78 7.297 1.400 12.421 1.00 0.00 C ATOM 0 H LEU A 78 3.354 2.990 9.982 1.00 0.00 H new ATOM 0 HA LEU A 78 5.387 4.234 11.711 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.960 1.678 10.244 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.622 2.234 10.221 1.00 0.00 H new ATOM 0 HG LEU A 78 5.623 2.677 12.882 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.029 0.354 13.515 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.875 1.006 12.328 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.135 -0.139 11.808 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.424 1.069 13.452 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.525 0.576 11.744 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.973 2.231 12.221 1.00 0.00 H new ATOM 1169 N LEU A 79 5.283 4.908 8.580 1.00 0.00 N ATOM 1170 CA LEU A 79 5.975 5.674 7.507 1.00 0.00 C ATOM 1171 C LEU A 79 6.749 6.834 8.132 1.00 0.00 C ATOM 1172 O LEU A 79 6.192 7.867 8.443 1.00 0.00 O ATOM 1173 CB LEU A 79 4.940 6.229 6.526 1.00 0.00 C ATOM 1174 CG LEU A 79 5.065 5.502 5.186 1.00 0.00 C ATOM 1175 CD1 LEU A 79 6.425 5.811 4.561 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.940 3.993 5.411 1.00 0.00 C ATOM 0 H LEU A 79 4.301 4.698 8.401 1.00 0.00 H new ATOM 0 HA LEU A 79 6.663 5.015 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.936 6.100 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.093 7.299 6.387 1.00 0.00 H new ATOM 0 HG LEU A 79 4.273 5.838 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.513 5.292 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.516 6.885 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.218 5.476 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.029 3.474 4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.732 3.658 6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.970 3.771 5.856 1.00 0.00 H new ATOM 1188 N GLN A 80 8.028 6.673 8.320 1.00 0.00 N ATOM 1189 CA GLN A 80 8.829 7.771 8.925 1.00 0.00 C ATOM 1190 C GLN A 80 10.119 7.964 8.132 1.00 0.00 C ATOM 1191 O GLN A 80 10.448 7.189 7.255 1.00 0.00 O ATOM 1192 CB GLN A 80 9.166 7.422 10.376 1.00 0.00 C ATOM 1193 CG GLN A 80 7.876 7.341 11.196 1.00 0.00 C ATOM 1194 CD GLN A 80 7.993 8.247 12.423 1.00 0.00 C ATOM 1195 OE1 GLN A 80 8.805 8.008 13.294 1.00 0.00 O ATOM 1196 NE2 GLN A 80 7.210 9.287 12.530 1.00 0.00 N ATOM 0 H GLN A 80 8.552 5.831 8.082 1.00 0.00 H new ATOM 0 HA GLN A 80 8.250 8.694 8.901 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.696 6.471 10.418 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.830 8.176 10.797 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.025 7.645 10.586 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.694 6.312 11.507 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.528 9.489 11.799 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.281 9.897 13.344 1.00 0.00 H new ATOM 1205 N ASP A 81 10.841 9.005 8.427 1.00 0.00 N ATOM 1206 CA ASP A 81 12.103 9.280 7.692 1.00 0.00 C ATOM 1207 C ASP A 81 13.144 8.195 7.974 1.00 0.00 C ATOM 1208 O ASP A 81 13.741 8.145 9.031 1.00 0.00 O ATOM 1209 CB ASP A 81 12.661 10.634 8.133 1.00 0.00 C ATOM 1210 CG ASP A 81 11.696 11.744 7.717 1.00 0.00 C ATOM 1211 OD1 ASP A 81 10.608 11.794 8.266 1.00 0.00 O ATOM 1212 OD2 ASP A 81 12.062 12.529 6.856 1.00 0.00 O ATOM 0 H ASP A 81 10.609 9.683 9.152 1.00 0.00 H new ATOM 0 HA ASP A 81 11.886 9.290 6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.802 10.646 9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.639 10.800 7.682 1.00 0.00 H new ATOM 1217 N LEU A 82 13.393 7.357 7.010 1.00 0.00 N ATOM 1218 CA LEU A 82 14.427 6.302 7.168 1.00 0.00 C ATOM 1219 C LEU A 82 15.782 6.966 6.927 1.00 0.00 C ATOM 1220 O LEU A 82 15.824 8.109 6.520 1.00 0.00 O ATOM 1221 CB LEU A 82 14.172 5.200 6.125 1.00 0.00 C ATOM 1222 CG LEU A 82 13.101 4.234 6.640 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.561 3.397 5.478 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.720 3.299 7.682 1.00 0.00 C ATOM 0 H LEU A 82 12.917 7.359 6.108 1.00 0.00 H new ATOM 0 HA LEU A 82 14.401 5.851 8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.850 5.645 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.096 4.658 5.922 1.00 0.00 H new ATOM 0 HG LEU A 82 12.288 4.805 7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.799 2.711 5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.123 4.056 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.376 2.828 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.960 2.610 8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.532 2.733 7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.110 3.887 8.513 1.00 0.00 H new ATOM 1236 N PRO A 83 16.854 6.260 7.170 1.00 0.00 N ATOM 1237 CA PRO A 83 18.192 6.825 6.958 1.00 0.00 C ATOM 1238 C PRO A 83 18.434 7.032 5.461 1.00 0.00 C ATOM 1239 O PRO A 83 18.731 6.110 4.727 1.00 0.00 O ATOM 1240 CB PRO A 83 19.133 5.789 7.580 1.00 0.00 C ATOM 1241 CG PRO A 83 18.340 4.465 7.640 1.00 0.00 C ATOM 1242 CD PRO A 83 16.850 4.860 7.652 1.00 0.00 C ATOM 0 HA PRO A 83 18.339 7.806 7.411 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.036 5.675 6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.449 6.099 8.576 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.569 3.834 6.781 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.599 3.895 8.532 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.259 4.214 7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.423 4.782 8.652 1.00 0.00 H new ATOM 1250 N GLY A 84 18.291 8.251 5.010 1.00 0.00 N ATOM 1251 CA GLY A 84 18.490 8.555 3.566 1.00 0.00 C ATOM 1252 C GLY A 84 17.152 8.463 2.817 1.00 0.00 C ATOM 1253 O GLY A 84 17.121 8.411 1.604 1.00 0.00 O ATOM 0 H GLY A 84 18.043 9.054 5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.912 9.554 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.206 7.855 3.135 1.00 0.00 H new ATOM 1257 N CYS A 85 16.042 8.457 3.519 1.00 0.00 N ATOM 1258 CA CYS A 85 14.724 8.383 2.822 1.00 0.00 C ATOM 1259 C CYS A 85 13.680 9.145 3.652 1.00 0.00 C ATOM 1260 O CYS A 85 13.064 8.567 4.516 1.00 0.00 O ATOM 1261 CB CYS A 85 14.282 6.923 2.719 1.00 0.00 C ATOM 1262 SG CYS A 85 15.716 5.873 2.394 1.00 0.00 S ATOM 0 H CYS A 85 15.995 8.500 4.537 1.00 0.00 H new ATOM 0 HA CYS A 85 14.815 8.817 1.826 1.00 0.00 H new ATOM 0 HB2 CYS A 85 13.796 6.614 3.644 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.549 6.811 1.920 1.00 0.00 H new ATOM 1267 N PRO A 86 13.510 10.419 3.394 1.00 0.00 N ATOM 1268 CA PRO A 86 12.547 11.235 4.157 1.00 0.00 C ATOM 1269 C PRO A 86 11.105 10.934 3.749 1.00 0.00 C ATOM 1270 O PRO A 86 10.848 10.416 2.681 1.00 0.00 O ATOM 1271 CB PRO A 86 12.917 12.672 3.792 1.00 0.00 C ATOM 1272 CG PRO A 86 13.690 12.600 2.455 1.00 0.00 C ATOM 1273 CD PRO A 86 14.224 11.160 2.330 1.00 0.00 C ATOM 0 HA PRO A 86 12.598 11.036 5.227 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.024 13.289 3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.531 13.124 4.571 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.038 12.845 1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.509 13.319 2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.017 10.742 1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.304 11.121 2.472 1.00 0.00 H new ATOM 1281 N ARG A 87 10.159 11.277 4.587 1.00 0.00 N ATOM 1282 CA ARG A 87 8.738 11.036 4.242 1.00 0.00 C ATOM 1283 C ARG A 87 8.514 11.468 2.801 1.00 0.00 C ATOM 1284 O ARG A 87 7.652 10.973 2.105 1.00 0.00 O ATOM 1285 CB ARG A 87 7.853 11.900 5.131 1.00 0.00 C ATOM 1286 CG ARG A 87 8.073 11.514 6.584 1.00 0.00 C ATOM 1287 CD ARG A 87 7.430 12.559 7.500 1.00 0.00 C ATOM 1288 NE ARG A 87 6.049 12.855 7.025 1.00 0.00 N ATOM 1289 CZ ARG A 87 5.286 13.666 7.704 1.00 0.00 C ATOM 1290 NH1 ARG A 87 4.951 13.373 8.931 1.00 0.00 N ATOM 1291 NH2 ARG A 87 4.855 14.770 7.158 1.00 0.00 N ATOM 0 H ARG A 87 10.317 11.714 5.495 1.00 0.00 H new ATOM 0 HA ARG A 87 8.498 9.981 4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.088 12.954 4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.805 11.766 4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.642 10.532 6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.140 11.441 6.793 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.402 12.191 8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.027 13.471 7.505 1.00 0.00 H new ATOM 0 HE ARG A 87 5.700 12.423 6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.286 12.510 9.359 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.354 14.007 9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.115 15.000 6.199 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.258 15.403 7.690 1.00 0.00 H new ATOM 1305 N GLN A 88 9.279 12.429 2.377 1.00 0.00 N ATOM 1306 CA GLN A 88 9.127 12.971 0.991 1.00 0.00 C ATOM 1307 C GLN A 88 9.207 11.856 -0.064 1.00 0.00 C ATOM 1308 O GLN A 88 8.348 11.743 -0.917 1.00 0.00 O ATOM 1309 CB GLN A 88 10.231 13.998 0.726 1.00 0.00 C ATOM 1310 CG GLN A 88 9.748 15.009 -0.314 1.00 0.00 C ATOM 1311 CD GLN A 88 9.349 16.310 0.387 1.00 0.00 C ATOM 1312 OE1 GLN A 88 10.117 17.250 0.431 1.00 0.00 O ATOM 1313 NE2 GLN A 88 8.172 16.401 0.944 1.00 0.00 N ATOM 0 H GLN A 88 10.012 12.870 2.932 1.00 0.00 H new ATOM 0 HA GLN A 88 8.145 13.439 0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.496 14.510 1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.131 13.497 0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 88 10.536 15.202 -1.042 1.00 0.00 H new ATOM 0 HG3 GLN A 88 8.898 14.604 -0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.528 15.611 0.907 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.897 17.262 1.417 1.00 0.00 H new ATOM 1322 N VAL A 89 10.232 11.049 -0.033 1.00 0.00 N ATOM 1323 CA VAL A 89 10.363 9.975 -1.049 1.00 0.00 C ATOM 1324 C VAL A 89 9.233 8.964 -0.895 1.00 0.00 C ATOM 1325 O VAL A 89 8.657 8.504 -1.863 1.00 0.00 O ATOM 1326 CB VAL A 89 11.705 9.295 -0.839 1.00 0.00 C ATOM 1327 CG1 VAL A 89 11.907 8.207 -1.891 1.00 0.00 C ATOM 1328 CG2 VAL A 89 12.798 10.342 -0.960 1.00 0.00 C ATOM 0 H VAL A 89 10.984 11.090 0.655 1.00 0.00 H new ATOM 0 HA VAL A 89 10.305 10.396 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 89 11.739 8.833 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.871 7.724 -1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.112 7.466 -1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.882 8.653 -2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.770 9.872 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.761 10.794 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.649 11.113 -0.204 1.00 0.00 H new ATOM 1338 N GLN A 90 8.905 8.616 0.313 1.00 0.00 N ATOM 1339 CA GLN A 90 7.805 7.637 0.523 1.00 0.00 C ATOM 1340 C GLN A 90 6.509 8.232 -0.023 1.00 0.00 C ATOM 1341 O GLN A 90 5.607 7.525 -0.427 1.00 0.00 O ATOM 1342 CB GLN A 90 7.655 7.349 2.018 1.00 0.00 C ATOM 1343 CG GLN A 90 8.876 6.570 2.512 1.00 0.00 C ATOM 1344 CD GLN A 90 9.918 7.549 3.058 1.00 0.00 C ATOM 1345 OE1 GLN A 90 9.752 8.095 4.130 1.00 0.00 O ATOM 1346 NE2 GLN A 90 10.993 7.793 2.360 1.00 0.00 N ATOM 0 H GLN A 90 9.348 8.965 1.163 1.00 0.00 H new ATOM 0 HA GLN A 90 8.030 6.705 0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.558 8.283 2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.746 6.775 2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.581 5.865 3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.302 5.986 1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.132 7.334 1.460 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.695 8.443 2.715 1.00 0.00 H new ATOM 1355 N ARG A 91 6.412 9.533 -0.036 1.00 0.00 N ATOM 1356 CA ARG A 91 5.179 10.187 -0.556 1.00 0.00 C ATOM 1357 C ARG A 91 5.195 10.190 -2.088 1.00 0.00 C ATOM 1358 O ARG A 91 4.165 10.100 -2.726 1.00 0.00 O ATOM 1359 CB ARG A 91 5.102 11.625 -0.038 1.00 0.00 C ATOM 1360 CG ARG A 91 3.722 11.871 0.575 1.00 0.00 C ATOM 1361 CD ARG A 91 3.761 11.528 2.066 1.00 0.00 C ATOM 1362 NE ARG A 91 2.397 11.140 2.524 1.00 0.00 N ATOM 1363 CZ ARG A 91 1.821 11.802 3.491 1.00 0.00 C ATOM 1364 NH1 ARG A 91 2.409 11.905 4.652 1.00 0.00 N ATOM 1365 NH2 ARG A 91 0.659 12.362 3.297 1.00 0.00 N ATOM 0 H ARG A 91 7.136 10.173 0.292 1.00 0.00 H new ATOM 0 HA ARG A 91 4.307 9.631 -0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.879 11.797 0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.281 12.327 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.431 12.912 0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.973 11.261 0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.461 10.712 2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.118 12.385 2.638 1.00 0.00 H new ATOM 0 HE ARG A 91 1.914 10.358 2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.318 11.468 4.804 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.959 12.422 5.407 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.200 12.283 2.390 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.209 12.879 4.053 1.00 0.00 H new ATOM 1379 N ALA A 92 6.352 10.297 -2.690 1.00 0.00 N ATOM 1380 CA ALA A 92 6.415 10.308 -4.180 1.00 0.00 C ATOM 1381 C ALA A 92 6.103 8.908 -4.715 1.00 0.00 C ATOM 1382 O ALA A 92 5.344 8.747 -5.650 1.00 0.00 O ATOM 1383 CB ALA A 92 7.817 10.726 -4.629 1.00 0.00 C ATOM 0 H ALA A 92 7.251 10.377 -2.215 1.00 0.00 H new ATOM 0 HA ALA A 92 5.683 11.016 -4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 92 7.863 10.734 -5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.038 11.723 -4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.550 10.019 -4.240 1.00 0.00 H new ATOM 1389 N PHE A 93 6.690 7.897 -4.134 1.00 0.00 N ATOM 1390 CA PHE A 93 6.431 6.505 -4.606 1.00 0.00 C ATOM 1391 C PHE A 93 5.077 6.014 -4.081 1.00 0.00 C ATOM 1392 O PHE A 93 4.463 5.137 -4.649 1.00 0.00 O ATOM 1393 CB PHE A 93 7.530 5.583 -4.086 1.00 0.00 C ATOM 1394 CG PHE A 93 7.199 4.154 -4.446 1.00 0.00 C ATOM 1395 CD1 PHE A 93 6.199 3.466 -3.745 1.00 0.00 C ATOM 1396 CD2 PHE A 93 7.892 3.519 -5.482 1.00 0.00 C ATOM 1397 CE1 PHE A 93 5.895 2.142 -4.084 1.00 0.00 C ATOM 1398 CE2 PHE A 93 7.587 2.196 -5.820 1.00 0.00 C ATOM 1399 CZ PHE A 93 6.589 1.507 -5.121 1.00 0.00 C ATOM 0 H PHE A 93 7.339 7.974 -3.351 1.00 0.00 H new ATOM 0 HA PHE A 93 6.420 6.496 -5.696 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.491 5.865 -4.517 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.624 5.685 -3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.664 3.956 -2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.663 4.050 -6.021 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.125 1.610 -3.545 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.122 1.706 -6.620 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.354 0.486 -5.382 1.00 0.00 H new ATOM 1409 N ALA A 94 4.628 6.556 -2.981 1.00 0.00 N ATOM 1410 CA ALA A 94 3.332 6.117 -2.382 1.00 0.00 C ATOM 1411 C ALA A 94 2.233 5.944 -3.444 1.00 0.00 C ATOM 1412 O ALA A 94 1.571 4.925 -3.474 1.00 0.00 O ATOM 1413 CB ALA A 94 2.878 7.158 -1.357 1.00 0.00 C ATOM 0 H ALA A 94 5.109 7.293 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 94 3.493 5.149 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.932 6.845 -0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.631 7.251 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.747 8.121 -1.850 1.00 0.00 H new ATOM 1419 N PRO A 95 2.046 6.946 -4.267 1.00 0.00 N ATOM 1420 CA PRO A 95 1.003 6.932 -5.319 1.00 0.00 C ATOM 1421 C PRO A 95 1.355 6.011 -6.501 1.00 0.00 C ATOM 1422 O PRO A 95 0.850 6.179 -7.592 1.00 0.00 O ATOM 1423 CB PRO A 95 0.924 8.395 -5.764 1.00 0.00 C ATOM 1424 CG PRO A 95 2.267 9.046 -5.365 1.00 0.00 C ATOM 1425 CD PRO A 95 2.851 8.182 -4.233 1.00 0.00 C ATOM 0 HA PRO A 95 0.058 6.539 -4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.763 8.465 -6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.088 8.903 -5.283 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.948 9.084 -6.215 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.117 10.073 -5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.908 7.973 -4.397 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.771 8.683 -3.268 1.00 0.00 H new ATOM 1433 N LYS A 96 2.189 5.027 -6.297 1.00 0.00 N ATOM 1434 CA LYS A 96 2.528 4.097 -7.412 1.00 0.00 C ATOM 1435 C LYS A 96 2.282 2.656 -6.949 1.00 0.00 C ATOM 1436 O LYS A 96 2.923 1.728 -7.399 1.00 0.00 O ATOM 1437 CB LYS A 96 3.997 4.271 -7.804 1.00 0.00 C ATOM 1438 CG LYS A 96 4.121 4.277 -9.330 1.00 0.00 C ATOM 1439 CD LYS A 96 4.324 5.711 -9.821 1.00 0.00 C ATOM 1440 CE LYS A 96 5.716 6.197 -9.415 1.00 0.00 C ATOM 1441 NZ LYS A 96 5.642 7.627 -9.003 1.00 0.00 N ATOM 0 H LYS A 96 2.649 4.827 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 96 1.904 4.318 -8.278 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.386 5.203 -7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.595 3.463 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.960 3.653 -9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.224 3.851 -9.780 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.214 5.755 -10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.561 6.364 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.100 5.590 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.410 6.083 -10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.588 7.958 -8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.293 8.200 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.993 7.723 -8.196 1.00 0.00 H new ATOM 1455 N LEU A 97 1.359 2.470 -6.042 1.00 0.00 N ATOM 1456 CA LEU A 97 1.065 1.098 -5.528 1.00 0.00 C ATOM 1457 C LEU A 97 0.166 0.339 -6.513 1.00 0.00 C ATOM 1458 O LEU A 97 0.624 -0.511 -7.249 1.00 0.00 O ATOM 1459 CB LEU A 97 0.365 1.205 -4.172 1.00 0.00 C ATOM 1460 CG LEU A 97 1.373 0.925 -3.057 1.00 0.00 C ATOM 1461 CD1 LEU A 97 0.980 1.705 -1.801 1.00 0.00 C ATOM 1462 CD2 LEU A 97 1.380 -0.574 -2.745 1.00 0.00 C ATOM 0 H LEU A 97 0.793 3.213 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 97 2.002 0.552 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.063 2.200 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.460 0.494 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 97 2.367 1.237 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.700 1.504 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.973 2.772 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.013 1.395 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.098 -0.777 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.386 -0.883 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.662 -1.130 -3.639 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.112 0.623 -6.527 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.028 -0.098 -7.457 1.00 0.00 C ATOM 1476 C VAL A 98 -1.939 0.485 -8.873 1.00 0.00 C ATOM 1477 O VAL A 98 -2.882 0.414 -9.636 1.00 0.00 O ATOM 1478 CB VAL A 98 -3.457 0.033 -6.943 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -3.452 -0.163 -5.433 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -4.005 1.426 -7.268 1.00 0.00 C ATOM 0 H VAL A 98 -1.559 1.323 -5.934 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.735 -1.147 -7.499 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.087 -0.717 -7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.469 -0.072 -5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.063 -1.153 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.821 0.596 -4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.026 1.511 -6.897 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.382 2.183 -6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.997 1.577 -8.347 1.00 0.00 H new ATOM 1490 N THR A 99 -0.823 1.044 -9.240 1.00 0.00 N ATOM 1491 CA THR A 99 -0.699 1.600 -10.613 1.00 0.00 C ATOM 1492 C THR A 99 0.085 0.599 -11.465 1.00 0.00 C ATOM 1493 O THR A 99 0.614 -0.367 -10.954 1.00 0.00 O ATOM 1494 CB THR A 99 0.062 2.928 -10.577 1.00 0.00 C ATOM 1495 OG1 THR A 99 1.457 2.669 -10.508 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.365 3.733 -9.352 1.00 0.00 C ATOM 0 H THR A 99 0.005 1.140 -8.652 1.00 0.00 H new ATOM 0 HA THR A 99 -1.691 1.772 -11.031 1.00 0.00 H new ATOM 0 HB THR A 99 -0.162 3.498 -11.479 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.678 2.301 -9.627 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.179 4.677 -9.330 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.436 3.932 -9.402 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.143 3.165 -8.448 1.00 0.00 H new ATOM 1504 N GLU A 100 0.163 0.795 -12.756 1.00 0.00 N ATOM 1505 CA GLU A 100 0.913 -0.184 -13.600 1.00 0.00 C ATOM 1506 C GLU A 100 2.401 -0.289 -13.190 1.00 0.00 C ATOM 1507 O GLU A 100 3.149 -1.022 -13.805 1.00 0.00 O ATOM 1508 CB GLU A 100 0.826 0.246 -15.066 1.00 0.00 C ATOM 1509 CG GLU A 100 0.576 -0.984 -15.943 1.00 0.00 C ATOM 1510 CD GLU A 100 0.910 -0.654 -17.399 1.00 0.00 C ATOM 1511 OE1 GLU A 100 0.059 -0.090 -18.067 1.00 0.00 O ATOM 1512 OE2 GLU A 100 2.010 -0.970 -17.821 1.00 0.00 O ATOM 0 H GLU A 100 -0.254 1.579 -13.257 1.00 0.00 H new ATOM 0 HA GLU A 100 0.458 -1.164 -13.455 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.021 0.969 -15.197 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.750 0.739 -15.367 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.188 -1.818 -15.599 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.465 -1.296 -15.860 1.00 0.00 H new ATOM 1519 N VAL A 101 2.863 0.421 -12.179 1.00 0.00 N ATOM 1520 CA VAL A 101 4.302 0.308 -11.813 1.00 0.00 C ATOM 1521 C VAL A 101 4.489 -0.608 -10.594 1.00 0.00 C ATOM 1522 O VAL A 101 5.595 -0.796 -10.126 1.00 0.00 O ATOM 1523 CB VAL A 101 4.847 1.697 -11.482 1.00 0.00 C ATOM 1524 CG1 VAL A 101 6.373 1.684 -11.587 1.00 0.00 C ATOM 1525 CG2 VAL A 101 4.276 2.716 -12.471 1.00 0.00 C ATOM 0 H VAL A 101 2.311 1.060 -11.607 1.00 0.00 H new ATOM 0 HA VAL A 101 4.841 -0.121 -12.657 1.00 0.00 H new ATOM 0 HB VAL A 101 4.555 1.971 -10.468 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.762 2.674 -11.351 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.780 0.957 -10.884 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.666 1.411 -12.601 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.664 3.707 -12.236 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.569 2.443 -13.485 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.189 2.725 -12.397 1.00 0.00 H new ATOM 1535 N GLU A 102 3.437 -1.181 -10.065 1.00 0.00 N ATOM 1536 CA GLU A 102 3.614 -2.067 -8.876 1.00 0.00 C ATOM 1537 C GLU A 102 2.704 -3.303 -8.980 1.00 0.00 C ATOM 1538 O GLU A 102 3.070 -4.296 -9.575 1.00 0.00 O ATOM 1539 CB GLU A 102 3.289 -1.279 -7.602 1.00 0.00 C ATOM 1540 CG GLU A 102 4.584 -0.723 -7.004 1.00 0.00 C ATOM 1541 CD GLU A 102 4.827 -1.353 -5.632 1.00 0.00 C ATOM 1542 OE1 GLU A 102 5.119 -2.537 -5.588 1.00 0.00 O ATOM 1543 OE2 GLU A 102 4.721 -0.641 -4.648 1.00 0.00 O ATOM 0 H GLU A 102 2.479 -1.076 -10.399 1.00 0.00 H new ATOM 0 HA GLU A 102 4.649 -2.408 -8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.602 -0.464 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.789 -1.924 -6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.423 -0.935 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.518 0.361 -6.911 1.00 0.00 H new ATOM 1550 N CYS A 103 1.532 -3.261 -8.398 1.00 0.00 N ATOM 1551 CA CYS A 103 0.621 -4.440 -8.454 1.00 0.00 C ATOM 1552 C CYS A 103 -0.784 -3.968 -8.861 1.00 0.00 C ATOM 1553 O CYS A 103 -1.778 -4.439 -8.346 1.00 0.00 O ATOM 1554 CB CYS A 103 0.576 -5.082 -7.068 1.00 0.00 C ATOM 1555 SG CYS A 103 2.233 -5.682 -6.645 1.00 0.00 S ATOM 0 H CYS A 103 1.168 -2.458 -7.886 1.00 0.00 H new ATOM 0 HA CYS A 103 0.978 -5.167 -9.183 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.237 -4.357 -6.328 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.137 -5.906 -7.057 1.00 0.00 H new ATOM 1560 N ASN A 104 -0.857 -3.022 -9.771 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.166 -2.470 -10.231 1.00 0.00 C ATOM 1562 C ASN A 104 -3.290 -3.504 -10.141 1.00 0.00 C ATOM 1563 O ASN A 104 -4.218 -3.342 -9.372 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.008 -2.009 -11.678 1.00 0.00 C ATOM 1565 CG ASN A 104 -3.346 -1.507 -12.223 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -4.324 -1.444 -11.506 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -3.425 -1.140 -13.475 1.00 0.00 N ATOM 0 H ASN A 104 -0.043 -2.603 -10.221 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.440 -1.639 -9.582 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.263 -1.215 -11.735 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.643 -2.833 -12.292 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.310 -0.800 -13.852 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.602 -1.194 -14.075 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.233 -4.552 -10.916 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.327 -5.571 -10.863 1.00 0.00 C ATOM 1576 C LEU A 105 -5.691 -4.865 -10.768 1.00 0.00 C ATOM 1577 O LEU A 105 -6.603 -5.353 -10.130 1.00 0.00 O ATOM 1578 CB LEU A 105 -4.137 -6.460 -9.631 1.00 0.00 C ATOM 1579 CG LEU A 105 -2.894 -7.333 -9.806 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -2.292 -7.641 -8.434 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -3.289 -8.642 -10.495 1.00 0.00 C ATOM 0 H LEU A 105 -2.484 -4.749 -11.580 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.293 -6.179 -11.767 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.036 -5.843 -8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.016 -7.088 -9.486 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.159 -6.806 -10.415 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.406 -8.263 -8.557 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.016 -6.709 -7.941 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.025 -8.170 -7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.405 -9.268 -10.622 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.022 -9.168 -9.883 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.722 -8.423 -11.471 1.00 0.00 H new ATOM 1593 N ALA A 106 -5.838 -3.720 -11.390 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.138 -2.987 -11.325 1.00 0.00 C ATOM 1595 C ALA A 106 -7.512 -2.765 -9.857 1.00 0.00 C ATOM 1596 O ALA A 106 -6.939 -3.365 -8.972 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.221 -3.814 -12.022 1.00 0.00 C ATOM 0 H ALA A 106 -5.111 -3.262 -11.940 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.049 -2.023 -11.825 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.171 -3.282 -11.976 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.944 -3.972 -13.064 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.321 -4.778 -11.523 1.00 0.00 H new ATOM 1603 N THR A 107 -8.456 -1.902 -9.584 1.00 0.00 N ATOM 1604 CA THR A 107 -8.835 -1.656 -8.165 1.00 0.00 C ATOM 1605 C THR A 107 -10.369 -1.671 -8.054 1.00 0.00 C ATOM 1606 O THR A 107 -11.045 -2.391 -8.762 1.00 0.00 O ATOM 1607 CB THR A 107 -8.334 -0.277 -7.740 1.00 0.00 C ATOM 1608 OG1 THR A 107 -9.306 0.676 -8.114 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.027 0.057 -8.465 1.00 0.00 C ATOM 0 H THR A 107 -8.975 -1.362 -10.276 1.00 0.00 H new ATOM 0 HA THR A 107 -8.397 -2.425 -7.529 1.00 0.00 H new ATOM 0 HB THR A 107 -8.161 -0.267 -6.664 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.387 0.695 -9.090 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.680 1.042 -8.154 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.272 -0.689 -8.216 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.198 0.056 -9.542 1.00 0.00 H new ATOM 1617 N ILE A 108 -10.919 -0.867 -7.178 1.00 0.00 N ATOM 1618 CA ILE A 108 -12.398 -0.806 -7.015 1.00 0.00 C ATOM 1619 C ILE A 108 -13.037 -0.170 -8.256 1.00 0.00 C ATOM 1620 O ILE A 108 -14.090 -0.581 -8.703 1.00 0.00 O ATOM 1621 CB ILE A 108 -12.716 0.066 -5.801 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -14.234 0.190 -5.642 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -12.107 1.458 -6.008 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -14.608 0.015 -4.169 1.00 0.00 C ATOM 0 H ILE A 108 -10.396 -0.244 -6.563 1.00 0.00 H new ATOM 0 HA ILE A 108 -12.791 -1.814 -6.883 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.296 -0.389 -4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -14.570 1.163 -6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -14.737 -0.564 -6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.331 2.085 -5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.027 1.369 -6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.530 1.911 -6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -15.688 0.103 -4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -14.286 -0.968 -3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -14.116 0.785 -3.575 1.00 0.00 H new ATOM 1636 N HIS A 109 -12.410 0.833 -8.814 1.00 0.00 N ATOM 1637 CA HIS A 109 -12.987 1.499 -10.025 1.00 0.00 C ATOM 1638 C HIS A 109 -12.584 0.730 -11.290 1.00 0.00 C ATOM 1639 O HIS A 109 -12.568 1.276 -12.376 1.00 0.00 O ATOM 1640 CB HIS A 109 -12.519 2.959 -10.116 1.00 0.00 C ATOM 1641 CG HIS A 109 -11.209 3.145 -9.407 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -10.048 2.518 -9.824 1.00 0.00 N ATOM 1643 CD2 HIS A 109 -10.851 3.899 -8.314 1.00 0.00 C ATOM 1644 CE1 HIS A 109 -9.065 2.909 -9.001 1.00 0.00 C ATOM 1645 NE2 HIS A 109 -9.505 3.744 -8.069 1.00 0.00 N ATOM 0 H HIS A 109 -11.525 1.221 -8.486 1.00 0.00 H new ATOM 0 HA HIS A 109 -14.074 1.494 -9.939 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -12.416 3.248 -11.162 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -13.271 3.615 -9.677 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -9.957 1.877 -10.612 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -11.522 4.517 -7.737 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.039 2.584 -9.086 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.273 -0.543 -11.166 1.00 0.00 N ATOM 1654 CA GLY A 110 -11.892 -1.340 -12.366 1.00 0.00 C ATOM 1655 C GLY A 110 -10.958 -0.523 -13.253 1.00 0.00 C ATOM 1656 O GLY A 110 -11.212 -0.331 -14.425 1.00 0.00 O ATOM 0 H GLY A 110 -12.269 -1.057 -10.285 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.402 -2.264 -12.060 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.784 -1.623 -12.925 1.00 0.00 H new ATOM 1660 N GLY A 111 -9.880 -0.039 -12.708 1.00 0.00 N ATOM 1661 CA GLY A 111 -8.938 0.763 -13.530 1.00 0.00 C ATOM 1662 C GLY A 111 -7.755 1.208 -12.672 1.00 0.00 C ATOM 1663 O GLY A 111 -7.844 1.242 -11.461 1.00 0.00 O ATOM 0 H GLY A 111 -9.611 -0.164 -11.732 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.585 0.173 -14.375 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.449 1.634 -13.941 1.00 0.00 H new ATOM 1667 N PRO A 112 -6.680 1.546 -13.334 1.00 0.00 N ATOM 1668 CA PRO A 112 -5.450 2.010 -12.671 1.00 0.00 C ATOM 1669 C PRO A 112 -5.618 3.460 -12.222 1.00 0.00 C ATOM 1670 O PRO A 112 -5.143 4.368 -12.873 1.00 0.00 O ATOM 1671 CB PRO A 112 -4.388 1.904 -13.773 1.00 0.00 C ATOM 1672 CG PRO A 112 -5.148 1.917 -15.119 1.00 0.00 C ATOM 1673 CD PRO A 112 -6.596 1.499 -14.811 1.00 0.00 C ATOM 0 HA PRO A 112 -5.193 1.435 -11.781 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.686 2.736 -13.716 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -3.807 0.988 -13.665 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.119 2.909 -15.571 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -4.689 1.229 -15.830 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -7.313 2.178 -15.273 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -6.812 0.500 -15.191 1.00 0.00 H new ATOM 1681 N PHE A 113 -6.284 3.691 -11.119 1.00 0.00 N ATOM 1682 CA PHE A 113 -6.464 5.116 -10.664 1.00 0.00 C ATOM 1683 C PHE A 113 -7.410 5.249 -9.449 1.00 0.00 C ATOM 1684 O PHE A 113 -8.607 5.341 -9.614 1.00 0.00 O ATOM 1685 CB PHE A 113 -7.049 5.958 -11.815 1.00 0.00 C ATOM 1686 CG PHE A 113 -8.369 5.391 -12.336 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -8.897 4.179 -11.854 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -9.067 6.098 -13.326 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -10.111 3.690 -12.365 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -10.278 5.606 -13.829 1.00 0.00 C ATOM 1691 CZ PHE A 113 -10.799 4.403 -13.349 1.00 0.00 C ATOM 0 H PHE A 113 -6.704 2.979 -10.522 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.477 5.471 -10.367 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.206 6.980 -11.471 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -6.328 6.004 -12.631 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.369 3.625 -11.092 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.668 7.028 -13.703 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -10.514 2.759 -11.995 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.810 6.158 -14.590 1.00 0.00 H new ATOM 0 HZ PHE A 113 -11.733 4.024 -13.738 1.00 0.00 H new ATOM 1701 N CYS A 114 -6.897 5.327 -8.234 1.00 0.00 N ATOM 1702 CA CYS A 114 -7.815 5.517 -7.066 1.00 0.00 C ATOM 1703 C CYS A 114 -7.393 6.754 -6.281 1.00 0.00 C ATOM 1704 O CYS A 114 -6.388 7.372 -6.571 1.00 0.00 O ATOM 1705 CB CYS A 114 -7.801 4.292 -6.140 1.00 0.00 C ATOM 1706 SG CYS A 114 -6.243 4.200 -5.226 1.00 0.00 S ATOM 0 H CYS A 114 -5.904 5.268 -8.009 1.00 0.00 H new ATOM 0 HA CYS A 114 -8.828 5.645 -7.447 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -8.636 4.348 -5.441 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -7.938 3.384 -6.727 1.00 0.00 H new ATOM 1711 N LEU A 115 -8.174 7.126 -5.300 1.00 0.00 N ATOM 1712 CA LEU A 115 -7.854 8.337 -4.485 1.00 0.00 C ATOM 1713 C LEU A 115 -8.402 9.575 -5.197 1.00 0.00 C ATOM 1714 O LEU A 115 -9.037 10.418 -4.596 1.00 0.00 O ATOM 1715 CB LEU A 115 -6.338 8.474 -4.306 1.00 0.00 C ATOM 1716 CG LEU A 115 -6.030 8.945 -2.884 1.00 0.00 C ATOM 1717 CD1 LEU A 115 -6.922 10.136 -2.532 1.00 0.00 C ATOM 1718 CD2 LEU A 115 -6.293 7.804 -1.901 1.00 0.00 C ATOM 0 H LEU A 115 -9.027 6.639 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.313 8.240 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.851 7.518 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.939 9.185 -5.030 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.984 9.246 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.700 10.469 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.734 10.951 -3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.969 9.838 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.074 8.139 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.338 7.502 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.655 6.956 -2.149 1.00 0.00 H new ATOM 1730 N SER A 116 -8.172 9.685 -6.477 1.00 0.00 N ATOM 1731 CA SER A 116 -8.693 10.863 -7.225 1.00 0.00 C ATOM 1732 C SER A 116 -10.207 10.721 -7.382 1.00 0.00 C ATOM 1733 O SER A 116 -10.933 11.694 -7.422 1.00 0.00 O ATOM 1734 CB SER A 116 -8.040 10.923 -8.607 1.00 0.00 C ATOM 1735 OG SER A 116 -6.627 10.905 -8.459 1.00 0.00 O ATOM 0 H SER A 116 -7.647 9.012 -7.035 1.00 0.00 H new ATOM 0 HA SER A 116 -8.462 11.778 -6.679 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.365 10.077 -9.213 1.00 0.00 H new ATOM 0 HB3 SER A 116 -8.351 11.827 -9.130 1.00 0.00 H new ATOM 0 HG SER A 116 -6.205 10.942 -9.343 1.00 0.00 H new ATOM 1741 N LEU A 117 -10.691 9.511 -7.468 1.00 0.00 N ATOM 1742 CA LEU A 117 -12.157 9.300 -7.618 1.00 0.00 C ATOM 1743 C LEU A 117 -12.885 9.908 -6.416 1.00 0.00 C ATOM 1744 O LEU A 117 -14.081 10.110 -6.444 1.00 0.00 O ATOM 1745 CB LEU A 117 -12.449 7.798 -7.689 1.00 0.00 C ATOM 1746 CG LEU A 117 -12.085 7.270 -9.079 1.00 0.00 C ATOM 1747 CD1 LEU A 117 -10.607 6.875 -9.109 1.00 0.00 C ATOM 1748 CD2 LEU A 117 -12.940 6.043 -9.401 1.00 0.00 C ATOM 0 H LEU A 117 -10.132 8.659 -7.441 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.504 9.781 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.877 7.269 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -13.503 7.612 -7.483 1.00 0.00 H new ATOM 0 HG LEU A 117 -12.269 8.050 -9.818 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -10.351 6.499 -10.100 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.993 7.746 -8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -10.423 6.097 -8.368 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -12.680 5.668 -10.391 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -12.756 5.266 -8.659 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -13.994 6.319 -9.383 1.00 0.00 H new ATOM 1760 N LEU A 118 -12.165 10.196 -5.361 1.00 0.00 N ATOM 1761 CA LEU A 118 -12.792 10.799 -4.139 1.00 0.00 C ATOM 1762 C LEU A 118 -13.709 9.806 -3.396 1.00 0.00 C ATOM 1763 O LEU A 118 -14.064 10.037 -2.257 1.00 0.00 O ATOM 1764 CB LEU A 118 -13.592 12.050 -4.518 1.00 0.00 C ATOM 1765 CG LEU A 118 -12.652 13.253 -4.607 1.00 0.00 C ATOM 1766 CD1 LEU A 118 -13.413 14.457 -5.163 1.00 0.00 C ATOM 1767 CD2 LEU A 118 -12.121 13.587 -3.212 1.00 0.00 C ATOM 0 H LEU A 118 -11.160 10.039 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.979 11.066 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.095 11.897 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -14.368 12.236 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.819 13.014 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.742 15.314 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.793 14.220 -6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -14.247 14.697 -4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -11.451 14.444 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.955 13.825 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -11.578 12.730 -2.815 1.00 0.00 H new ATOM 1779 N GLY A 119 -14.099 8.717 -4.000 1.00 0.00 N ATOM 1780 CA GLY A 119 -14.984 7.752 -3.287 1.00 0.00 C ATOM 1781 C GLY A 119 -16.416 8.294 -3.251 1.00 0.00 C ATOM 1782 O GLY A 119 -16.851 8.986 -4.150 1.00 0.00 O ATOM 0 H GLY A 119 -13.845 8.454 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -14.963 6.785 -3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -14.620 7.591 -2.272 1.00 0.00 H new ATOM 1786 N ALA A 120 -17.151 7.981 -2.219 1.00 0.00 N ATOM 1787 CA ALA A 120 -18.554 8.473 -2.122 1.00 0.00 C ATOM 1788 C ALA A 120 -18.631 9.606 -1.097 1.00 0.00 C ATOM 1789 O ALA A 120 -19.168 9.447 -0.019 1.00 0.00 O ATOM 1790 CB ALA A 120 -19.464 7.329 -1.680 1.00 0.00 C ATOM 0 H ALA A 120 -16.839 7.405 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 120 -18.876 8.842 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -20.491 7.688 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -19.412 6.520 -2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -19.140 6.961 -0.706 1.00 0.00 H new ATOM 1796 N GLY A 121 -18.097 10.750 -1.425 1.00 0.00 N ATOM 1797 CA GLY A 121 -18.138 11.895 -0.472 1.00 0.00 C ATOM 1798 C GLY A 121 -19.582 12.365 -0.293 1.00 0.00 C ATOM 1799 O GLY A 121 -19.887 13.142 0.591 1.00 0.00 O ATOM 0 H GLY A 121 -17.633 10.942 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -17.721 11.595 0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -17.523 12.714 -0.845 1.00 0.00 H new ATOM 1803 N GLU A 122 -20.474 11.902 -1.126 1.00 0.00 N ATOM 1804 CA GLU A 122 -21.897 12.326 -1.002 1.00 0.00 C ATOM 1805 C GLU A 122 -22.689 11.243 -0.268 1.00 0.00 C ATOM 1806 O GLU A 122 -23.908 11.286 -0.325 1.00 0.00 O ATOM 1807 CB GLU A 122 -22.489 12.537 -2.398 1.00 0.00 C ATOM 1808 CG GLU A 122 -23.853 13.220 -2.276 1.00 0.00 C ATOM 1809 CD GLU A 122 -24.051 14.181 -3.449 1.00 0.00 C ATOM 1810 OE1 GLU A 122 -23.509 15.273 -3.393 1.00 0.00 O ATOM 1811 OE2 GLU A 122 -24.742 13.811 -4.383 1.00 0.00 O ATOM 1812 OXT GLU A 122 -22.065 10.389 0.338 1.00 0.00 O ATOM 0 H GLU A 122 -20.279 11.250 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 122 -21.952 13.258 -0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -21.817 13.148 -3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -22.594 11.580 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -24.646 12.472 -2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -23.916 13.763 -1.333 1.00 0.00 H new TER 1819 GLU A 122