USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1031 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 4 HIS : no HE2:sc= -3.71! C(o=-10!,f=-11!) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -163:sc= -6.06! (180deg=-3.38!) USER MOD Set 1.3: A 56 GLN : amide:sc= -0.657 K(o=-10,f=-11) USER MOD Set 2.1: A 34 SER OG : rot 180:sc= -0.0477 USER MOD Set 2.2: A 36 GLN : amide:sc= 0 X(o=-0.048,f=-0.085) USER MOD Single : A 3 MET CE :methyl -134:sc= -4.4! (180deg=-8.53!) USER MOD Single : A 6 HIS : no HD1:sc= -1.27! C(o=-1.3!,f=-2.1!) USER MOD Single : A 11 ASN : amide:sc= -3.82! C(o=-3.8!,f=-3.6!) USER MOD Single : A 12 HIS : no HD1:sc= -1.21! X(o=-1.2!,f=-0.72) USER MOD Single : A 16 GLN : amide:sc= -0.609! X(o=-0.61!,f=-0.74) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.093 X(o=-0.093,f=-0.063) USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= -0.258 (180deg=-1.15!) USER MOD Single : A 25 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.2!) USER MOD Single : A 28 SER OG : rot 76:sc= 0.252 USER MOD Single : A 29 GLN : amide:sc= -0.082 X(o=-0.082,f=-0.43) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 150:sc= -0.0708 USER MOD Single : A 46 GLN : amide:sc=-0.00304 X(o=-0.003,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.0797 X(o=-0.08,f=-0.097) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00448 USER MOD Single : A 60 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.6!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -150:sc= -4.26! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -1.12! C(o=-1.1!,f=-7.9!) USER MOD Single : A 72 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-5.2!) USER MOD Single : A 73 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.77) USER MOD Single : A 74 GLN : amide:sc= -10.6! C(o=-11!,f=-7.7!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0775 USER MOD Single : A 84 THR OG1 : rot -66:sc= -0.439! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -44:sc= 0.979 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.59) USER MOD Single : A 100 GLN : amide:sc= -12.9! C(o=-13!,f=-21!) USER MOD Single : A 102 ASN : amide:sc= -8.75! C(o=-8.7!,f=-6!) USER MOD Single : A 103 ASN : amide:sc= -5.72! C(o=-5.7!,f=-5.4!) USER MOD Single : A 105 GLN : amide:sc=-0.00787 K(o=-0.0079,f=-1.1!) USER MOD Single : A 106 GLN : amide:sc= -0.148 X(o=-0.15,f=0.19) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 113 TYR OH : rot -121:sc= -0.924 USER MOD Single : A 114 GLN : amide:sc= -4.59! K(o=-4.6!,f=-2.9) USER MOD Single : A 115 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.17) USER MOD Single : A 127 SER OG : rot 59:sc= 0.925 USER MOD Single : A 129 LYS NZ :NH3+ -178:sc= -5.05! (180deg=-5.3!) USER MOD Single : A 132 SER OG : rot -68:sc= 0.174 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 8.253 10.231 0.397 1.00 0.00 N ATOM 2 CA PRO A 1 8.552 9.228 1.465 1.00 0.00 C ATOM 3 C PRO A 1 8.053 9.734 2.826 1.00 0.00 C ATOM 4 O PRO A 1 7.574 10.848 2.962 1.00 0.00 O ATOM 5 CB PRO A 1 10.079 9.004 1.481 1.00 0.00 C ATOM 6 CG PRO A 1 10.637 9.677 0.219 1.00 0.00 C ATOM 7 CD PRO A 1 9.447 10.339 -0.498 1.00 0.00 C ATOM 0 H2 PRO A 1 8.038 11.138 0.812 1.00 0.00 H new ATOM 0 H3 PRO A 1 7.433 9.946 -0.138 1.00 0.00 H new ATOM 0 HA PRO A 1 8.041 8.287 1.264 1.00 0.00 H new ATOM 0 HB2 PRO A 1 10.524 9.435 2.378 1.00 0.00 H new ATOM 0 HB3 PRO A 1 10.314 7.940 1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 1 11.392 10.419 0.479 1.00 0.00 H new ATOM 0 HG3 PRO A 1 11.119 8.944 -0.428 1.00 0.00 H new ATOM 0 HD2 PRO A 1 9.667 11.384 -0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 1 9.255 9.847 -1.452 1.00 0.00 H new ATOM 17 N VAL A 2 8.194 8.920 3.838 1.00 0.00 N ATOM 18 CA VAL A 2 7.767 9.320 5.210 1.00 0.00 C ATOM 19 C VAL A 2 8.775 8.729 6.204 1.00 0.00 C ATOM 20 O VAL A 2 8.858 7.537 6.403 1.00 0.00 O ATOM 21 CB VAL A 2 6.311 8.834 5.471 1.00 0.00 C ATOM 22 CG1 VAL A 2 6.271 7.460 6.157 1.00 0.00 C ATOM 23 CG2 VAL A 2 5.577 9.852 6.356 1.00 0.00 C ATOM 0 H VAL A 2 8.592 7.983 3.771 1.00 0.00 H new ATOM 0 HA VAL A 2 7.758 10.404 5.327 1.00 0.00 H new ATOM 0 HB VAL A 2 5.822 8.743 4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.234 7.164 6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.765 6.723 5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.785 7.517 7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.558 9.509 6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.101 9.952 7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.550 10.819 5.853 1.00 0.00 H new ATOM 33 N MET A 3 9.580 9.554 6.804 1.00 0.00 N ATOM 34 CA MET A 3 10.599 9.030 7.743 1.00 0.00 C ATOM 35 C MET A 3 9.984 8.877 9.134 1.00 0.00 C ATOM 36 O MET A 3 9.319 9.772 9.625 1.00 0.00 O ATOM 37 CB MET A 3 11.755 10.009 7.729 1.00 0.00 C ATOM 38 CG MET A 3 12.224 10.189 6.264 1.00 0.00 C ATOM 39 SD MET A 3 13.994 10.583 6.228 1.00 0.00 S ATOM 40 CE MET A 3 14.211 10.627 4.427 1.00 0.00 C ATOM 0 H MET A 3 9.576 10.567 6.684 1.00 0.00 H new ATOM 0 HA MET A 3 10.958 8.043 7.450 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.447 10.966 8.149 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.573 9.639 8.347 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.034 9.278 5.697 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.655 10.986 5.786 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.107 10.068 4.155 1.00 0.00 H new ATOM 0 HE2 MET A 3 13.343 10.178 3.945 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.314 11.661 4.098 1.00 0.00 H new ATOM 50 N HIS A 4 10.169 7.724 9.748 1.00 0.00 N ATOM 51 CA HIS A 4 9.550 7.447 11.094 1.00 0.00 C ATOM 52 C HIS A 4 10.631 7.301 12.196 1.00 0.00 C ATOM 53 O HIS A 4 11.800 7.175 11.892 1.00 0.00 O ATOM 54 CB HIS A 4 8.707 6.137 10.988 1.00 0.00 C ATOM 55 CG HIS A 4 8.841 5.526 9.616 1.00 0.00 C ATOM 56 ND1 HIS A 4 10.026 4.961 9.171 1.00 0.00 N ATOM 57 CD2 HIS A 4 7.946 5.383 8.585 1.00 0.00 C ATOM 58 CE1 HIS A 4 9.814 4.507 7.922 1.00 0.00 C ATOM 59 NE2 HIS A 4 8.563 4.739 7.516 1.00 0.00 N ATOM 0 H HIS A 4 10.727 6.957 9.371 1.00 0.00 H new ATOM 0 HA HIS A 4 8.914 8.286 11.374 1.00 0.00 H new ATOM 0 HB2 HIS A 4 9.038 5.424 11.743 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.659 6.355 11.193 1.00 0.00 H new ATOM 0 HD1 HIS A 4 10.899 4.900 9.695 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.920 5.719 8.601 1.00 0.00 H new ATOM 0 HE1 HIS A 4 10.564 4.015 7.321 1.00 0.00 H new ATOM 67 N PRO A 5 10.197 7.309 13.459 1.00 0.00 N ATOM 68 CA PRO A 5 11.124 7.162 14.611 1.00 0.00 C ATOM 69 C PRO A 5 11.883 5.817 14.539 1.00 0.00 C ATOM 70 O PRO A 5 11.764 4.980 15.411 1.00 0.00 O ATOM 71 CB PRO A 5 10.191 7.196 15.864 1.00 0.00 C ATOM 72 CG PRO A 5 8.733 7.394 15.374 1.00 0.00 C ATOM 73 CD PRO A 5 8.765 7.482 13.836 1.00 0.00 C ATOM 0 HA PRO A 5 11.885 7.943 14.632 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.280 6.269 16.430 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.481 8.006 16.533 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.105 6.564 15.697 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.306 8.302 15.800 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.144 6.708 13.385 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.381 8.441 13.489 1.00 0.00 H new ATOM 81 N HIS A 6 12.660 5.587 13.520 1.00 0.00 N ATOM 82 CA HIS A 6 13.388 4.284 13.448 1.00 0.00 C ATOM 83 C HIS A 6 14.402 4.312 12.309 1.00 0.00 C ATOM 84 O HIS A 6 15.535 4.714 12.488 1.00 0.00 O ATOM 85 CB HIS A 6 12.386 3.151 13.203 1.00 0.00 C ATOM 86 CG HIS A 6 13.124 1.846 13.077 1.00 0.00 C ATOM 87 ND1 HIS A 6 14.461 1.717 13.418 1.00 0.00 N ATOM 88 CD2 HIS A 6 12.724 0.603 12.652 1.00 0.00 C ATOM 89 CE1 HIS A 6 14.815 0.439 13.195 1.00 0.00 C ATOM 90 NE2 HIS A 6 13.793 -0.284 12.727 1.00 0.00 N ATOM 0 H HIS A 6 12.824 6.229 12.745 1.00 0.00 H new ATOM 0 HA HIS A 6 13.911 4.118 14.390 1.00 0.00 H new ATOM 0 HB2 HIS A 6 11.672 3.099 14.025 1.00 0.00 H new ATOM 0 HB3 HIS A 6 11.814 3.347 12.296 1.00 0.00 H new ATOM 0 HD2 HIS A 6 11.730 0.352 12.311 1.00 0.00 H new ATOM 0 HE1 HIS A 6 15.805 0.045 13.372 1.00 0.00 H new ATOM 0 HE2 HIS A 6 13.796 -1.273 12.478 1.00 0.00 H new ATOM 98 N GLY A 7 14.007 3.883 11.136 1.00 0.00 N ATOM 99 CA GLY A 7 14.950 3.882 9.980 1.00 0.00 C ATOM 100 C GLY A 7 15.702 5.210 9.945 1.00 0.00 C ATOM 101 O GLY A 7 16.899 5.258 10.147 1.00 0.00 O ATOM 0 H GLY A 7 13.071 3.534 10.931 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.653 3.054 10.070 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.403 3.736 9.049 1.00 0.00 H new ATOM 105 N ALA A 8 15.002 6.290 9.695 1.00 0.00 N ATOM 106 CA ALA A 8 15.655 7.635 9.647 1.00 0.00 C ATOM 107 C ALA A 8 14.976 8.530 10.707 1.00 0.00 C ATOM 108 O ALA A 8 14.140 8.051 11.447 1.00 0.00 O ATOM 109 CB ALA A 8 15.483 8.201 8.224 1.00 0.00 C ATOM 0 H ALA A 8 13.997 6.297 9.521 1.00 0.00 H new ATOM 0 HA ALA A 8 16.721 7.584 9.868 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.952 9.183 8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.954 7.530 7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.421 8.291 7.994 1.00 0.00 H new ATOM 115 N PRO A 9 15.351 9.790 10.776 1.00 0.00 N ATOM 116 CA PRO A 9 14.779 10.713 11.761 1.00 0.00 C ATOM 117 C PRO A 9 13.415 11.190 11.260 1.00 0.00 C ATOM 118 O PRO A 9 13.072 10.962 10.122 1.00 0.00 O ATOM 119 CB PRO A 9 15.765 11.901 11.798 1.00 0.00 C ATOM 120 CG PRO A 9 16.800 11.672 10.664 1.00 0.00 C ATOM 121 CD PRO A 9 16.353 10.410 9.903 1.00 0.00 C ATOM 0 HA PRO A 9 14.641 10.259 12.742 1.00 0.00 H new ATOM 0 HB2 PRO A 9 15.237 12.844 11.653 1.00 0.00 H new ATOM 0 HB3 PRO A 9 16.262 11.959 12.767 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.839 12.533 9.996 1.00 0.00 H new ATOM 0 HG3 PRO A 9 17.801 11.542 11.075 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.930 10.662 8.930 1.00 0.00 H new ATOM 0 HD3 PRO A 9 17.192 9.738 9.722 1.00 0.00 H new ATOM 129 N PRO A 10 12.696 11.885 12.097 1.00 0.00 N ATOM 130 CA PRO A 10 11.403 12.435 11.690 1.00 0.00 C ATOM 131 C PRO A 10 11.557 13.331 10.458 1.00 0.00 C ATOM 132 O PRO A 10 12.161 14.380 10.538 1.00 0.00 O ATOM 133 CB PRO A 10 10.944 13.285 12.910 1.00 0.00 C ATOM 134 CG PRO A 10 11.941 13.021 14.070 1.00 0.00 C ATOM 135 CD PRO A 10 13.086 12.159 13.504 1.00 0.00 C ATOM 0 HA PRO A 10 10.690 11.654 11.424 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.927 14.344 12.654 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.931 13.013 13.207 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.327 13.960 14.466 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.445 12.508 14.894 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.039 12.685 13.555 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.202 11.234 14.070 1.00 0.00 H new ATOM 143 N ASN A 11 10.993 12.960 9.335 1.00 0.00 N ATOM 144 CA ASN A 11 11.120 13.850 8.136 1.00 0.00 C ATOM 145 C ASN A 11 10.083 13.502 7.070 1.00 0.00 C ATOM 146 O ASN A 11 10.409 12.910 6.062 1.00 0.00 O ATOM 147 CB ASN A 11 12.513 13.706 7.502 1.00 0.00 C ATOM 148 CG ASN A 11 13.598 14.209 8.454 1.00 0.00 C ATOM 149 OD1 ASN A 11 14.353 13.428 9.000 1.00 0.00 O ATOM 150 ND2 ASN A 11 13.711 15.489 8.679 1.00 0.00 N ATOM 0 H ASN A 11 10.462 12.101 9.196 1.00 0.00 H new ATOM 0 HA ASN A 11 10.961 14.871 8.482 1.00 0.00 H new ATOM 0 HB2 ASN A 11 12.698 12.661 7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.553 14.268 6.569 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.432 15.834 9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.078 16.145 8.221 1.00 0.00 H new ATOM 157 N HIS A 12 8.839 13.865 7.243 1.00 0.00 N ATOM 158 CA HIS A 12 7.839 13.550 6.186 1.00 0.00 C ATOM 159 C HIS A 12 7.886 14.651 5.127 1.00 0.00 C ATOM 160 O HIS A 12 8.088 15.807 5.442 1.00 0.00 O ATOM 161 CB HIS A 12 6.442 13.498 6.808 1.00 0.00 C ATOM 162 CG HIS A 12 6.203 14.751 7.605 1.00 0.00 C ATOM 163 ND1 HIS A 12 5.597 15.872 7.057 1.00 0.00 N ATOM 164 CD2 HIS A 12 6.485 15.078 8.909 1.00 0.00 C ATOM 165 CE1 HIS A 12 5.535 16.811 8.019 1.00 0.00 C ATOM 166 NE2 HIS A 12 6.062 16.379 9.168 1.00 0.00 N ATOM 0 H HIS A 12 8.478 14.359 8.059 1.00 0.00 H new ATOM 0 HA HIS A 12 8.065 12.586 5.731 1.00 0.00 H new ATOM 0 HB2 HIS A 12 5.688 13.401 6.027 1.00 0.00 H new ATOM 0 HB3 HIS A 12 6.350 12.622 7.450 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.962 14.425 9.625 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.111 17.794 7.879 1.00 0.00 H new ATOM 0 HE2 HIS A 12 6.138 16.892 10.046 1.00 0.00 H new ATOM 174 N ARG A 13 7.711 14.304 3.874 1.00 0.00 N ATOM 175 CA ARG A 13 7.753 15.335 2.783 1.00 0.00 C ATOM 176 C ARG A 13 6.361 15.461 2.126 1.00 0.00 C ATOM 177 O ARG A 13 6.054 14.701 1.231 1.00 0.00 O ATOM 178 CB ARG A 13 8.760 14.892 1.714 1.00 0.00 C ATOM 179 CG ARG A 13 8.603 13.381 1.421 1.00 0.00 C ATOM 180 CD ARG A 13 9.675 12.576 2.171 1.00 0.00 C ATOM 181 NE ARG A 13 11.028 13.109 1.846 1.00 0.00 N ATOM 182 CZ ARG A 13 12.035 12.842 2.628 1.00 0.00 C ATOM 183 NH1 ARG A 13 11.849 12.128 3.703 1.00 0.00 N ATOM 184 NH2 ARG A 13 13.225 13.294 2.341 1.00 0.00 N ATOM 0 H ARG A 13 7.540 13.350 3.557 1.00 0.00 H new ATOM 0 HA ARG A 13 8.046 16.295 3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.605 15.465 0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.775 15.100 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.610 13.047 1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.688 13.201 0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.500 12.633 3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.613 11.524 1.894 1.00 0.00 H new ATOM 0 HE ARG A 13 11.165 13.682 1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.917 11.780 3.929 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.635 11.917 4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.368 13.858 1.503 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.012 13.084 2.955 1.00 0.00 H new ATOM 198 N PRO A 14 5.550 16.409 2.563 1.00 0.00 N ATOM 199 CA PRO A 14 4.208 16.596 1.975 1.00 0.00 C ATOM 200 C PRO A 14 4.325 16.792 0.447 1.00 0.00 C ATOM 201 O PRO A 14 4.684 15.878 -0.268 1.00 0.00 O ATOM 202 CB PRO A 14 3.627 17.826 2.723 1.00 0.00 C ATOM 203 CG PRO A 14 4.586 18.147 3.900 1.00 0.00 C ATOM 204 CD PRO A 14 5.883 17.354 3.655 1.00 0.00 C ATOM 0 HA PRO A 14 3.547 15.737 2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.544 18.680 2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.624 17.612 3.092 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.792 19.216 3.949 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.136 17.865 4.852 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.702 18.014 3.370 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.198 16.824 4.554 1.00 0.00 H new ATOM 212 N TRP A 15 4.037 17.955 -0.063 1.00 0.00 N ATOM 213 CA TRP A 15 4.147 18.181 -1.532 1.00 0.00 C ATOM 214 C TRP A 15 3.487 17.028 -2.291 1.00 0.00 C ATOM 215 O TRP A 15 4.001 16.557 -3.286 1.00 0.00 O ATOM 216 CB TRP A 15 5.624 18.266 -1.923 1.00 0.00 C ATOM 217 CG TRP A 15 6.290 19.339 -1.123 1.00 0.00 C ATOM 218 CD1 TRP A 15 6.884 19.157 0.079 1.00 0.00 C ATOM 219 CD2 TRP A 15 6.442 20.753 -1.444 1.00 0.00 C ATOM 220 NE1 TRP A 15 7.390 20.368 0.516 1.00 0.00 N ATOM 221 CE2 TRP A 15 7.143 21.382 -0.389 1.00 0.00 C ATOM 222 CE3 TRP A 15 6.043 21.541 -2.538 1.00 0.00 C ATOM 223 CZ2 TRP A 15 7.438 22.746 -0.417 1.00 0.00 C ATOM 224 CZ3 TRP A 15 6.338 22.914 -2.570 1.00 0.00 C ATOM 225 CH2 TRP A 15 7.034 23.515 -1.512 1.00 0.00 C ATOM 0 H TRP A 15 3.728 18.764 0.476 1.00 0.00 H new ATOM 0 HA TRP A 15 3.643 19.113 -1.789 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.114 17.308 -1.746 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.718 18.480 -2.988 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.952 18.219 0.610 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.885 20.497 1.399 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.507 21.088 -3.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.974 23.204 0.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.027 23.510 -3.415 1.00 0.00 H new ATOM 0 HH2 TRP A 15 7.258 24.571 -1.543 1.00 0.00 H new ATOM 236 N GLN A 16 2.349 16.570 -1.837 1.00 0.00 N ATOM 237 CA GLN A 16 1.661 15.449 -2.546 1.00 0.00 C ATOM 238 C GLN A 16 0.149 15.588 -2.392 1.00 0.00 C ATOM 239 O GLN A 16 -0.608 14.844 -2.982 1.00 0.00 O ATOM 240 CB GLN A 16 2.097 14.116 -1.954 1.00 0.00 C ATOM 241 CG GLN A 16 1.781 14.091 -0.458 1.00 0.00 C ATOM 242 CD GLN A 16 2.412 12.851 0.177 1.00 0.00 C ATOM 243 OE1 GLN A 16 2.236 12.600 1.353 1.00 0.00 O ATOM 244 NE2 GLN A 16 3.146 12.060 -0.555 1.00 0.00 N ATOM 0 H GLN A 16 1.868 16.922 -1.009 1.00 0.00 H new ATOM 0 HA GLN A 16 1.928 15.487 -3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.583 13.297 -2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.165 13.968 -2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.164 14.992 0.020 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.702 14.082 -0.304 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.294 12.270 -1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.572 11.231 -0.141 1.00 0.00 H new ATOM 253 N MET A 17 -0.298 16.537 -1.609 1.00 0.00 N ATOM 254 CA MET A 17 -1.768 16.735 -1.425 1.00 0.00 C ATOM 255 C MET A 17 -2.461 16.630 -2.783 1.00 0.00 C ATOM 256 O MET A 17 -3.618 16.283 -2.881 1.00 0.00 O ATOM 257 CB MET A 17 -2.019 18.124 -0.835 1.00 0.00 C ATOM 258 CG MET A 17 -1.288 18.249 0.503 1.00 0.00 C ATOM 259 SD MET A 17 -1.444 19.942 1.122 1.00 0.00 S ATOM 260 CE MET A 17 -0.229 19.808 2.456 1.00 0.00 C ATOM 0 H MET A 17 0.293 17.185 -1.088 1.00 0.00 H new ATOM 0 HA MET A 17 -2.162 15.974 -0.751 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.671 18.892 -1.525 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.088 18.283 -0.694 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.706 17.547 1.225 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.236 17.991 0.380 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.161 20.760 2.983 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.538 19.029 3.153 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.745 19.555 2.037 1.00 0.00 H new ATOM 270 N LYS A 18 -1.747 16.925 -3.830 1.00 0.00 N ATOM 271 CA LYS A 18 -2.350 16.844 -5.190 1.00 0.00 C ATOM 272 C LYS A 18 -2.463 15.375 -5.601 1.00 0.00 C ATOM 273 O LYS A 18 -3.392 14.974 -6.274 1.00 0.00 O ATOM 274 CB LYS A 18 -1.470 17.599 -6.191 1.00 0.00 C ATOM 275 CG LYS A 18 0.005 17.300 -5.911 1.00 0.00 C ATOM 276 CD LYS A 18 0.856 17.767 -7.095 1.00 0.00 C ATOM 277 CE LYS A 18 0.749 19.287 -7.241 1.00 0.00 C ATOM 278 NZ LYS A 18 1.866 19.783 -8.094 1.00 0.00 N ATOM 0 H LYS A 18 -0.771 17.219 -3.805 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.342 17.296 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.724 17.303 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.654 18.671 -6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.323 17.806 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.146 16.231 -5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.896 17.479 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.521 17.280 -8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.209 19.554 -7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.788 19.761 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.794 20.816 -8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.775 19.540 -7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.809 19.340 -9.033 1.00 0.00 H new ATOM 292 N ASP A 19 -1.514 14.577 -5.208 1.00 0.00 N ATOM 293 CA ASP A 19 -1.534 13.135 -5.573 1.00 0.00 C ATOM 294 C ASP A 19 -2.811 12.456 -5.064 1.00 0.00 C ATOM 295 O ASP A 19 -3.749 12.212 -5.803 1.00 0.00 O ATOM 296 CB ASP A 19 -0.331 12.457 -4.917 1.00 0.00 C ATOM 297 CG ASP A 19 -0.352 10.961 -5.232 1.00 0.00 C ATOM 298 OD1 ASP A 19 -1.272 10.294 -4.788 1.00 0.00 O ATOM 299 OD2 ASP A 19 0.553 10.506 -5.913 1.00 0.00 O ATOM 0 H ASP A 19 -0.715 14.865 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.499 13.045 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.594 12.903 -5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.356 12.612 -3.838 1.00 0.00 H new ATOM 304 N LEU A 20 -2.831 12.124 -3.800 1.00 0.00 N ATOM 305 CA LEU A 20 -4.009 11.427 -3.217 1.00 0.00 C ATOM 306 C LEU A 20 -5.305 12.184 -3.524 1.00 0.00 C ATOM 307 O LEU A 20 -6.349 11.588 -3.696 1.00 0.00 O ATOM 308 CB LEU A 20 -3.830 11.293 -1.697 1.00 0.00 C ATOM 309 CG LEU A 20 -3.677 12.694 -1.038 1.00 0.00 C ATOM 310 CD1 LEU A 20 -5.014 13.158 -0.442 1.00 0.00 C ATOM 311 CD2 LEU A 20 -2.638 12.632 0.091 1.00 0.00 C ATOM 0 H LEU A 20 -2.073 12.309 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.080 10.436 -3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.688 10.775 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.951 10.686 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.356 13.396 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.888 14.140 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.763 13.219 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.342 12.445 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.537 13.617 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.962 11.915 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.676 12.320 -0.316 1.00 0.00 H new ATOM 323 N GLN A 21 -5.260 13.488 -3.587 1.00 0.00 N ATOM 324 CA GLN A 21 -6.510 14.252 -3.874 1.00 0.00 C ATOM 325 C GLN A 21 -7.199 13.658 -5.106 1.00 0.00 C ATOM 326 O GLN A 21 -8.349 13.270 -5.054 1.00 0.00 O ATOM 327 CB GLN A 21 -6.171 15.736 -4.124 1.00 0.00 C ATOM 328 CG GLN A 21 -6.215 16.518 -2.802 1.00 0.00 C ATOM 329 CD GLN A 21 -7.669 16.827 -2.433 1.00 0.00 C ATOM 330 OE1 GLN A 21 -8.166 16.358 -1.429 1.00 0.00 O ATOM 331 NE2 GLN A 21 -8.376 17.602 -3.210 1.00 0.00 N ATOM 0 H GLN A 21 -4.421 14.053 -3.454 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.181 14.183 -3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.181 15.820 -4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.880 16.165 -4.833 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.744 15.937 -2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.649 17.445 -2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.959 17.996 -4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.345 17.813 -2.974 1.00 0.00 H new ATOM 340 N ALA A 22 -6.517 13.590 -6.215 1.00 0.00 N ATOM 341 CA ALA A 22 -7.160 13.029 -7.435 1.00 0.00 C ATOM 342 C ALA A 22 -7.683 11.622 -7.131 1.00 0.00 C ATOM 343 O ALA A 22 -8.761 11.241 -7.563 1.00 0.00 O ATOM 344 CB ALA A 22 -6.152 12.990 -8.587 1.00 0.00 C ATOM 0 H ALA A 22 -5.551 13.896 -6.329 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.996 13.662 -7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.631 12.578 -9.476 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.802 14.000 -8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.305 12.364 -8.308 1.00 0.00 H new ATOM 350 N ILE A 23 -6.975 10.848 -6.358 1.00 0.00 N ATOM 351 CA ILE A 23 -7.519 9.504 -6.039 1.00 0.00 C ATOM 352 C ILE A 23 -8.820 9.721 -5.259 1.00 0.00 C ATOM 353 O ILE A 23 -9.893 9.422 -5.744 1.00 0.00 O ATOM 354 CB ILE A 23 -6.511 8.689 -5.217 1.00 0.00 C ATOM 355 CG1 ILE A 23 -5.408 8.147 -6.142 1.00 0.00 C ATOM 356 CG2 ILE A 23 -7.220 7.510 -4.542 1.00 0.00 C ATOM 357 CD1 ILE A 23 -4.836 9.282 -6.994 1.00 0.00 C ATOM 0 H ILE A 23 -6.071 11.079 -5.945 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.710 8.937 -6.950 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.072 9.334 -4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.615 7.692 -5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.813 7.366 -6.786 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.498 6.936 -3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.002 7.885 -3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.665 6.869 -5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.056 8.890 -7.646 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.630 9.718 -7.600 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.414 10.048 -6.344 1.00 0.00 H new ATOM 369 N LYS A 24 -8.728 10.276 -4.071 1.00 0.00 N ATOM 370 CA LYS A 24 -9.945 10.569 -3.247 1.00 0.00 C ATOM 371 C LYS A 24 -11.110 11.014 -4.135 1.00 0.00 C ATOM 372 O LYS A 24 -12.220 10.563 -3.964 1.00 0.00 O ATOM 373 CB LYS A 24 -9.602 11.690 -2.252 1.00 0.00 C ATOM 374 CG LYS A 24 -10.588 11.675 -1.078 1.00 0.00 C ATOM 375 CD LYS A 24 -10.182 12.741 -0.058 1.00 0.00 C ATOM 376 CE LYS A 24 -11.068 12.626 1.185 1.00 0.00 C ATOM 377 NZ LYS A 24 -11.030 11.227 1.697 1.00 0.00 N ATOM 0 H LYS A 24 -7.846 10.542 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.246 9.665 -2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.584 11.561 -1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.638 12.656 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.600 11.866 -1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.596 10.691 -0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.135 12.616 0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.280 13.734 -0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.723 13.316 1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.092 12.907 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.218 11.226 2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.754 10.660 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.091 10.817 1.517 1.00 0.00 H new ATOM 391 N GLN A 25 -10.897 11.909 -5.055 1.00 0.00 N ATOM 392 CA GLN A 25 -12.038 12.364 -5.901 1.00 0.00 C ATOM 393 C GLN A 25 -12.848 11.144 -6.375 1.00 0.00 C ATOM 394 O GLN A 25 -14.075 11.107 -6.376 1.00 0.00 O ATOM 395 CB GLN A 25 -11.489 13.083 -7.138 1.00 0.00 C ATOM 396 CG GLN A 25 -10.916 14.444 -6.733 1.00 0.00 C ATOM 397 CD GLN A 25 -12.062 15.404 -6.409 1.00 0.00 C ATOM 398 OE1 GLN A 25 -13.203 15.137 -6.731 1.00 0.00 O ATOM 399 NE2 GLN A 25 -11.806 16.519 -5.781 1.00 0.00 N ATOM 0 H GLN A 25 -9.996 12.342 -5.259 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.673 13.032 -5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.715 12.477 -7.609 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.281 13.216 -7.875 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.265 14.333 -5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.306 14.849 -7.541 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.849 16.744 -5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.563 17.166 -5.561 1.00 0.00 H new ATOM 408 N GLU A 26 -12.123 10.134 -6.808 1.00 0.00 N ATOM 409 CA GLU A 26 -12.772 8.897 -7.338 1.00 0.00 C ATOM 410 C GLU A 26 -12.990 7.825 -6.243 1.00 0.00 C ATOM 411 O GLU A 26 -13.829 6.939 -6.410 1.00 0.00 O ATOM 412 CB GLU A 26 -11.884 8.326 -8.477 1.00 0.00 C ATOM 413 CG GLU A 26 -12.636 8.338 -9.817 1.00 0.00 C ATOM 414 CD GLU A 26 -11.749 7.729 -10.905 1.00 0.00 C ATOM 415 OE1 GLU A 26 -10.887 8.435 -11.403 1.00 0.00 O ATOM 416 OE2 GLU A 26 -11.947 6.568 -11.222 1.00 0.00 O ATOM 0 H GLU A 26 -11.103 10.119 -6.815 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.760 9.162 -7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.971 8.916 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.583 7.307 -8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.564 7.773 -9.731 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.909 9.359 -10.084 1.00 0.00 H new ATOM 423 N VAL A 27 -12.325 7.880 -5.104 1.00 0.00 N ATOM 424 CA VAL A 27 -12.634 6.825 -4.100 1.00 0.00 C ATOM 425 C VAL A 27 -14.084 7.069 -3.721 1.00 0.00 C ATOM 426 O VAL A 27 -14.866 6.180 -3.446 1.00 0.00 O ATOM 427 CB VAL A 27 -11.732 6.905 -2.848 1.00 0.00 C ATOM 428 CG1 VAL A 27 -10.270 7.117 -3.264 1.00 0.00 C ATOM 429 CG2 VAL A 27 -12.186 8.024 -1.896 1.00 0.00 C ATOM 0 H VAL A 27 -11.622 8.572 -4.844 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.458 5.833 -4.515 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.817 5.960 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.643 7.172 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.944 6.284 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.183 8.046 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.529 8.051 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.142 8.982 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.209 7.833 -1.572 1.00 0.00 H new ATOM 439 N SER A 28 -14.417 8.345 -3.778 1.00 0.00 N ATOM 440 CA SER A 28 -15.801 8.794 -3.501 1.00 0.00 C ATOM 441 C SER A 28 -16.649 8.046 -4.501 1.00 0.00 C ATOM 442 O SER A 28 -17.310 7.111 -4.140 1.00 0.00 O ATOM 443 CB SER A 28 -15.929 10.304 -3.712 1.00 0.00 C ATOM 444 OG SER A 28 -15.067 10.979 -2.807 1.00 0.00 O ATOM 0 H SER A 28 -13.767 9.096 -4.010 1.00 0.00 H new ATOM 0 HA SER A 28 -16.102 8.598 -2.472 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.671 10.562 -4.739 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.960 10.619 -3.553 1.00 0.00 H new ATOM 0 HG SER A 28 -14.141 10.902 -3.118 1.00 0.00 H new ATOM 450 N GLN A 29 -16.600 8.470 -5.758 1.00 0.00 N ATOM 451 CA GLN A 29 -17.367 7.789 -6.875 1.00 0.00 C ATOM 452 C GLN A 29 -18.026 6.480 -6.416 1.00 0.00 C ATOM 453 O GLN A 29 -19.204 6.252 -6.607 1.00 0.00 O ATOM 454 CB GLN A 29 -16.369 7.417 -7.979 1.00 0.00 C ATOM 455 CG GLN A 29 -17.126 7.016 -9.251 1.00 0.00 C ATOM 456 CD GLN A 29 -17.734 8.263 -9.898 1.00 0.00 C ATOM 457 OE1 GLN A 29 -17.057 9.254 -10.087 1.00 0.00 O ATOM 458 NE2 GLN A 29 -18.992 8.256 -10.246 1.00 0.00 N ATOM 0 H GLN A 29 -16.050 9.274 -6.061 1.00 0.00 H new ATOM 0 HA GLN A 29 -18.142 8.477 -7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.712 8.261 -8.187 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.736 6.594 -7.647 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.449 6.524 -9.950 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -17.911 6.299 -9.009 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -19.560 7.424 -10.087 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -19.407 9.082 -10.677 1.00 0.00 H new ATOM 467 N ALA A 30 -17.239 5.618 -5.805 1.00 0.00 N ATOM 468 CA ALA A 30 -17.778 4.302 -5.315 1.00 0.00 C ATOM 469 C ALA A 30 -18.384 4.417 -3.915 1.00 0.00 C ATOM 470 O ALA A 30 -18.729 5.476 -3.436 1.00 0.00 O ATOM 471 CB ALA A 30 -16.641 3.287 -5.235 1.00 0.00 C ATOM 0 H ALA A 30 -16.247 5.769 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 30 -18.551 3.990 -6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -17.030 2.333 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -16.201 3.155 -6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -15.879 3.648 -4.544 1.00 0.00 H new ATOM 477 N ALA A 31 -18.504 3.297 -3.261 1.00 0.00 N ATOM 478 CA ALA A 31 -19.063 3.260 -1.882 1.00 0.00 C ATOM 479 C ALA A 31 -17.905 3.571 -0.909 1.00 0.00 C ATOM 480 O ALA A 31 -16.802 3.802 -1.362 1.00 0.00 O ATOM 481 CB ALA A 31 -19.646 1.849 -1.657 1.00 0.00 C ATOM 0 H ALA A 31 -18.232 2.387 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.856 3.990 -1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.066 1.785 -0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.429 1.658 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.855 1.107 -1.768 1.00 0.00 H new ATOM 487 N PRO A 32 -18.161 3.588 0.387 1.00 0.00 N ATOM 488 CA PRO A 32 -17.094 3.888 1.365 1.00 0.00 C ATOM 489 C PRO A 32 -16.029 2.777 1.320 1.00 0.00 C ATOM 490 O PRO A 32 -15.618 2.244 2.332 1.00 0.00 O ATOM 491 CB PRO A 32 -17.818 3.951 2.735 1.00 0.00 C ATOM 492 CG PRO A 32 -19.325 3.656 2.481 1.00 0.00 C ATOM 493 CD PRO A 32 -19.491 3.330 0.980 1.00 0.00 C ATOM 0 HA PRO A 32 -16.569 4.821 1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.396 3.221 3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -17.691 4.933 3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -19.660 2.819 3.094 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.935 4.516 2.756 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -19.796 2.294 0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.256 3.956 0.522 1.00 0.00 H new ATOM 501 N GLY A 33 -15.583 2.426 0.142 1.00 0.00 N ATOM 502 CA GLY A 33 -14.555 1.354 0.001 1.00 0.00 C ATOM 503 C GLY A 33 -14.890 0.511 -1.225 1.00 0.00 C ATOM 504 O GLY A 33 -14.746 0.940 -2.352 1.00 0.00 O ATOM 0 H GLY A 33 -15.891 2.841 -0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.563 1.794 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.535 0.730 0.894 1.00 0.00 H new ATOM 508 N SER A 34 -15.353 -0.682 -1.005 1.00 0.00 N ATOM 509 CA SER A 34 -15.722 -1.568 -2.136 1.00 0.00 C ATOM 510 C SER A 34 -14.474 -1.809 -3.017 1.00 0.00 C ATOM 511 O SER A 34 -13.497 -1.110 -2.870 1.00 0.00 O ATOM 512 CB SER A 34 -16.830 -0.864 -2.940 1.00 0.00 C ATOM 513 OG SER A 34 -16.372 -0.573 -4.256 1.00 0.00 O ATOM 0 H SER A 34 -15.493 -1.086 -0.079 1.00 0.00 H new ATOM 0 HA SER A 34 -16.083 -2.534 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.715 -1.499 -2.987 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.125 0.057 -2.438 1.00 0.00 H new ATOM 0 HG SER A 34 -17.085 -0.127 -4.759 1.00 0.00 H new ATOM 519 N PRO A 35 -14.538 -2.755 -3.926 1.00 0.00 N ATOM 520 CA PRO A 35 -13.406 -3.030 -4.845 1.00 0.00 C ATOM 521 C PRO A 35 -13.029 -1.758 -5.624 1.00 0.00 C ATOM 522 O PRO A 35 -11.872 -1.425 -5.770 1.00 0.00 O ATOM 523 CB PRO A 35 -13.939 -4.118 -5.810 1.00 0.00 C ATOM 524 CG PRO A 35 -15.360 -4.525 -5.322 1.00 0.00 C ATOM 525 CD PRO A 35 -15.720 -3.623 -4.119 1.00 0.00 C ATOM 0 HA PRO A 35 -12.510 -3.352 -4.315 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.979 -3.738 -6.831 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.275 -4.982 -5.817 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.089 -4.403 -6.123 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -15.378 -5.575 -5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -16.614 -3.033 -4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -15.924 -4.216 -3.228 1.00 0.00 H new ATOM 533 N GLN A 36 -13.997 -1.070 -6.139 1.00 0.00 N ATOM 534 CA GLN A 36 -13.720 0.161 -6.934 1.00 0.00 C ATOM 535 C GLN A 36 -12.632 1.035 -6.291 1.00 0.00 C ATOM 536 O GLN A 36 -11.860 1.675 -6.987 1.00 0.00 O ATOM 537 CB GLN A 36 -15.000 0.970 -7.017 1.00 0.00 C ATOM 538 CG GLN A 36 -16.032 0.221 -7.862 1.00 0.00 C ATOM 539 CD GLN A 36 -17.330 1.029 -7.917 1.00 0.00 C ATOM 540 OE1 GLN A 36 -18.122 0.992 -6.997 1.00 0.00 O ATOM 541 NE2 GLN A 36 -17.582 1.765 -8.965 1.00 0.00 N ATOM 0 H GLN A 36 -14.985 -1.306 -6.045 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.367 -0.143 -7.919 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.395 1.147 -6.017 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.796 1.946 -7.456 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.647 0.063 -8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -16.222 -0.764 -7.435 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -16.917 1.796 -9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -18.444 2.309 -9.011 1.00 0.00 H new ATOM 550 N PHE A 37 -12.567 1.099 -4.981 1.00 0.00 N ATOM 551 CA PHE A 37 -11.538 1.962 -4.327 1.00 0.00 C ATOM 552 C PHE A 37 -10.189 1.685 -5.006 1.00 0.00 C ATOM 553 O PHE A 37 -9.473 2.559 -5.455 1.00 0.00 O ATOM 554 CB PHE A 37 -11.460 1.560 -2.829 1.00 0.00 C ATOM 555 CG PHE A 37 -11.942 2.691 -1.930 1.00 0.00 C ATOM 556 CD1 PHE A 37 -13.178 3.310 -2.175 1.00 0.00 C ATOM 557 CD2 PHE A 37 -11.156 3.112 -0.848 1.00 0.00 C ATOM 558 CE1 PHE A 37 -13.622 4.344 -1.342 1.00 0.00 C ATOM 559 CE2 PHE A 37 -11.603 4.147 -0.016 1.00 0.00 C ATOM 560 CZ PHE A 37 -12.835 4.762 -0.263 1.00 0.00 C ATOM 0 H PHE A 37 -13.180 0.593 -4.342 1.00 0.00 H new ATOM 0 HA PHE A 37 -11.787 3.019 -4.415 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.066 0.671 -2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.433 1.300 -2.572 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.787 2.988 -3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.205 2.638 -0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -14.573 4.820 -1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.996 4.470 0.817 1.00 0.00 H new ATOM 0 HZ PHE A 37 -13.179 5.559 0.379 1.00 0.00 H new ATOM 570 N MET A 38 -9.896 0.404 -5.067 1.00 0.00 N ATOM 571 CA MET A 38 -8.647 -0.103 -5.697 1.00 0.00 C ATOM 572 C MET A 38 -8.552 0.406 -7.121 1.00 0.00 C ATOM 573 O MET A 38 -7.498 0.775 -7.566 1.00 0.00 O ATOM 574 CB MET A 38 -8.647 -1.643 -5.713 1.00 0.00 C ATOM 575 CG MET A 38 -7.597 -2.170 -6.717 1.00 0.00 C ATOM 576 SD MET A 38 -8.329 -2.250 -8.373 1.00 0.00 S ATOM 577 CE MET A 38 -9.065 -3.898 -8.227 1.00 0.00 C ATOM 0 H MET A 38 -10.497 -0.329 -4.691 1.00 0.00 H new ATOM 0 HA MET A 38 -7.794 0.252 -5.119 1.00 0.00 H new ATOM 0 HB2 MET A 38 -8.429 -2.024 -4.715 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.636 -2.010 -5.985 1.00 0.00 H new ATOM 0 HG2 MET A 38 -6.725 -1.516 -6.725 1.00 0.00 H new ATOM 0 HG3 MET A 38 -7.251 -3.158 -6.413 1.00 0.00 H new ATOM 0 HE1 MET A 38 -9.576 -4.152 -9.156 1.00 0.00 H new ATOM 0 HE2 MET A 38 -8.282 -4.630 -8.032 1.00 0.00 H new ATOM 0 HE3 MET A 38 -9.781 -3.905 -7.405 1.00 0.00 H new ATOM 587 N GLN A 39 -9.631 0.431 -7.840 1.00 0.00 N ATOM 588 CA GLN A 39 -9.572 0.920 -9.245 1.00 0.00 C ATOM 589 C GLN A 39 -8.717 2.189 -9.306 1.00 0.00 C ATOM 590 O GLN A 39 -7.834 2.339 -10.132 1.00 0.00 O ATOM 591 CB GLN A 39 -10.997 1.241 -9.699 1.00 0.00 C ATOM 592 CG GLN A 39 -11.026 1.402 -11.220 1.00 0.00 C ATOM 593 CD GLN A 39 -12.469 1.602 -11.686 1.00 0.00 C ATOM 594 OE1 GLN A 39 -12.833 2.672 -12.131 1.00 0.00 O ATOM 595 NE2 GLN A 39 -13.312 0.610 -11.601 1.00 0.00 N ATOM 0 H GLN A 39 -10.553 0.135 -7.520 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.131 0.162 -9.893 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.675 0.444 -9.394 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.345 2.156 -9.219 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.415 2.254 -11.518 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.598 0.521 -11.698 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.006 -0.288 -11.227 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.277 0.733 -11.908 1.00 0.00 H new ATOM 604 N THR A 40 -8.989 3.095 -8.412 1.00 0.00 N ATOM 605 CA THR A 40 -8.228 4.376 -8.362 1.00 0.00 C ATOM 606 C THR A 40 -6.891 4.182 -7.624 1.00 0.00 C ATOM 607 O THR A 40 -5.890 4.731 -8.041 1.00 0.00 O ATOM 608 CB THR A 40 -9.097 5.441 -7.678 1.00 0.00 C ATOM 609 OG1 THR A 40 -10.466 5.126 -7.891 1.00 0.00 O ATOM 610 CG2 THR A 40 -8.811 6.824 -8.251 1.00 0.00 C ATOM 0 H THR A 40 -9.716 3.003 -7.703 1.00 0.00 H new ATOM 0 HA THR A 40 -7.992 4.707 -9.373 1.00 0.00 H new ATOM 0 HB THR A 40 -8.867 5.450 -6.613 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.998 5.449 -7.134 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.438 7.562 -7.751 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.762 7.073 -8.093 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.028 6.827 -9.319 1.00 0.00 H new ATOM 618 N ILE A 41 -6.812 3.400 -6.587 1.00 0.00 N ATOM 619 CA ILE A 41 -5.469 3.211 -5.949 1.00 0.00 C ATOM 620 C ILE A 41 -4.671 2.268 -6.843 1.00 0.00 C ATOM 621 O ILE A 41 -3.474 2.120 -6.701 1.00 0.00 O ATOM 622 CB ILE A 41 -5.589 2.609 -4.547 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.570 3.445 -3.686 1.00 0.00 C ATOM 624 CG2 ILE A 41 -4.199 2.551 -3.902 1.00 0.00 C ATOM 625 CD1 ILE A 41 -5.819 4.523 -2.890 1.00 0.00 C ATOM 0 H ILE A 41 -7.588 2.895 -6.159 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.977 4.178 -5.844 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.987 1.597 -4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.315 3.915 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.108 2.790 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.279 2.123 -2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.541 1.931 -4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.787 3.558 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.529 5.096 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.092 4.048 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.302 5.191 -3.579 1.00 0.00 H new ATOM 637 N ARG A 42 -5.326 1.648 -7.782 1.00 0.00 N ATOM 638 CA ARG A 42 -4.611 0.737 -8.705 1.00 0.00 C ATOM 639 C ARG A 42 -3.727 1.579 -9.616 1.00 0.00 C ATOM 640 O ARG A 42 -2.541 1.350 -9.735 1.00 0.00 O ATOM 641 CB ARG A 42 -5.603 -0.042 -9.565 1.00 0.00 C ATOM 642 CG ARG A 42 -4.841 -1.040 -10.440 1.00 0.00 C ATOM 643 CD ARG A 42 -5.834 -1.903 -11.218 1.00 0.00 C ATOM 644 NE ARG A 42 -5.092 -2.783 -12.164 1.00 0.00 N ATOM 645 CZ ARG A 42 -5.688 -3.811 -12.702 1.00 0.00 C ATOM 646 NH1 ARG A 42 -6.932 -4.073 -12.406 1.00 0.00 N ATOM 647 NH2 ARG A 42 -5.040 -4.579 -13.534 1.00 0.00 N ATOM 0 H ARG A 42 -6.329 1.735 -7.948 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.017 0.030 -8.126 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.317 -0.568 -8.931 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.176 0.643 -10.190 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.187 -0.508 -11.131 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.204 -1.670 -9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.425 -2.507 -10.529 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.532 -1.269 -11.765 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.118 -2.582 -12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.438 -3.474 -11.754 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.398 -4.877 -12.827 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.067 -4.376 -13.764 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.506 -5.383 -13.955 1.00 0.00 H new ATOM 661 N LEU A 43 -4.305 2.549 -10.279 1.00 0.00 N ATOM 662 CA LEU A 43 -3.502 3.402 -11.206 1.00 0.00 C ATOM 663 C LEU A 43 -2.636 4.386 -10.411 1.00 0.00 C ATOM 664 O LEU A 43 -1.728 4.983 -10.945 1.00 0.00 O ATOM 665 CB LEU A 43 -4.449 4.198 -12.121 1.00 0.00 C ATOM 666 CG LEU A 43 -4.974 3.313 -13.263 1.00 0.00 C ATOM 667 CD1 LEU A 43 -3.842 2.957 -14.249 1.00 0.00 C ATOM 668 CD2 LEU A 43 -5.577 2.034 -12.677 1.00 0.00 C ATOM 0 H LEU A 43 -5.295 2.786 -10.219 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.857 2.757 -11.803 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.286 4.583 -11.539 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.924 5.060 -12.534 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.739 3.864 -13.810 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.239 2.330 -15.048 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.430 3.872 -14.676 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.056 2.417 -13.721 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.950 1.404 -13.485 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.812 1.493 -12.119 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.399 2.292 -12.009 1.00 0.00 H new ATOM 680 N ALA A 44 -2.889 4.558 -9.144 1.00 0.00 N ATOM 681 CA ALA A 44 -2.049 5.515 -8.349 1.00 0.00 C ATOM 682 C ALA A 44 -0.840 4.783 -7.763 1.00 0.00 C ATOM 683 O ALA A 44 0.278 5.248 -7.878 1.00 0.00 O ATOM 684 CB ALA A 44 -2.878 6.149 -7.231 1.00 0.00 C ATOM 0 H ALA A 44 -3.630 4.087 -8.624 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.697 6.308 -9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.255 6.840 -6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.719 6.690 -7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.251 5.369 -6.568 1.00 0.00 H new ATOM 690 N VAL A 45 -1.025 3.649 -7.159 1.00 0.00 N ATOM 691 CA VAL A 45 0.150 2.927 -6.607 1.00 0.00 C ATOM 692 C VAL A 45 0.891 2.249 -7.760 1.00 0.00 C ATOM 693 O VAL A 45 2.073 1.995 -7.689 1.00 0.00 O ATOM 694 CB VAL A 45 -0.321 1.876 -5.594 1.00 0.00 C ATOM 695 CG1 VAL A 45 0.837 0.941 -5.233 1.00 0.00 C ATOM 696 CG2 VAL A 45 -0.810 2.583 -4.327 1.00 0.00 C ATOM 0 H VAL A 45 -1.927 3.193 -7.024 1.00 0.00 H new ATOM 0 HA VAL A 45 0.817 3.625 -6.101 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.130 1.292 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.494 0.198 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.192 0.438 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.650 1.521 -4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.146 1.841 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.005 3.165 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.638 3.247 -4.577 1.00 0.00 H new ATOM 706 N GLN A 46 0.212 1.961 -8.834 1.00 0.00 N ATOM 707 CA GLN A 46 0.892 1.301 -9.982 1.00 0.00 C ATOM 708 C GLN A 46 1.603 2.343 -10.849 1.00 0.00 C ATOM 709 O GLN A 46 2.488 2.016 -11.614 1.00 0.00 O ATOM 710 CB GLN A 46 -0.145 0.567 -10.833 1.00 0.00 C ATOM 711 CG GLN A 46 0.570 -0.252 -11.909 1.00 0.00 C ATOM 712 CD GLN A 46 -0.445 -1.128 -12.645 1.00 0.00 C ATOM 713 OE1 GLN A 46 -0.689 -0.940 -13.820 1.00 0.00 O ATOM 714 NE2 GLN A 46 -1.051 -2.086 -11.998 1.00 0.00 N ATOM 0 H GLN A 46 -0.781 2.153 -8.967 1.00 0.00 H new ATOM 0 HA GLN A 46 1.627 0.595 -9.596 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.750 -0.087 -10.205 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.824 1.283 -11.296 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.071 0.412 -12.613 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.341 -0.874 -11.455 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.846 -2.244 -11.011 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.729 -2.677 -12.479 1.00 0.00 H new ATOM 723 N GLN A 47 1.215 3.593 -10.767 1.00 0.00 N ATOM 724 CA GLN A 47 1.872 4.625 -11.627 1.00 0.00 C ATOM 725 C GLN A 47 3.123 5.196 -10.959 1.00 0.00 C ATOM 726 O GLN A 47 4.228 5.033 -11.437 1.00 0.00 O ATOM 727 CB GLN A 47 0.883 5.772 -11.888 1.00 0.00 C ATOM 728 CG GLN A 47 -0.125 5.353 -12.968 1.00 0.00 C ATOM 729 CD GLN A 47 0.530 5.450 -14.349 1.00 0.00 C ATOM 730 OE1 GLN A 47 0.938 4.454 -14.911 1.00 0.00 O ATOM 731 NE2 GLN A 47 0.648 6.617 -14.921 1.00 0.00 N ATOM 0 H GLN A 47 0.481 3.940 -10.150 1.00 0.00 H new ATOM 0 HA GLN A 47 2.166 4.148 -12.562 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.358 6.029 -10.968 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.422 6.664 -12.207 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.465 4.333 -12.786 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.005 5.994 -12.926 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.305 7.453 -14.449 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.083 6.693 -15.840 1.00 0.00 H new ATOM 740 N PHE A 48 2.947 5.900 -9.874 1.00 0.00 N ATOM 741 CA PHE A 48 4.114 6.525 -9.188 1.00 0.00 C ATOM 742 C PHE A 48 4.720 5.564 -8.169 1.00 0.00 C ATOM 743 O PHE A 48 5.708 5.890 -7.543 1.00 0.00 O ATOM 744 CB PHE A 48 3.651 7.790 -8.463 1.00 0.00 C ATOM 745 CG PHE A 48 3.149 8.798 -9.469 1.00 0.00 C ATOM 746 CD1 PHE A 48 1.824 8.739 -9.918 1.00 0.00 C ATOM 747 CD2 PHE A 48 4.008 9.792 -9.952 1.00 0.00 C ATOM 748 CE1 PHE A 48 1.358 9.674 -10.849 1.00 0.00 C ATOM 749 CE2 PHE A 48 3.542 10.728 -10.883 1.00 0.00 C ATOM 750 CZ PHE A 48 2.217 10.669 -11.332 1.00 0.00 C ATOM 0 H PHE A 48 2.043 6.070 -9.432 1.00 0.00 H new ATOM 0 HA PHE A 48 4.869 6.768 -9.936 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.861 7.545 -7.753 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.475 8.214 -7.889 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.161 7.972 -9.546 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.030 9.837 -9.606 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.336 9.628 -11.195 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.204 11.496 -11.255 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.858 11.391 -12.051 1.00 0.00 H new ATOM 760 N ASP A 49 4.154 4.384 -8.008 1.00 0.00 N ATOM 761 CA ASP A 49 4.713 3.389 -7.021 1.00 0.00 C ATOM 762 C ASP A 49 5.414 4.100 -5.845 1.00 0.00 C ATOM 763 O ASP A 49 6.627 4.120 -5.792 1.00 0.00 O ATOM 764 CB ASP A 49 5.736 2.495 -7.734 1.00 0.00 C ATOM 765 CG ASP A 49 6.521 3.330 -8.748 1.00 0.00 C ATOM 766 OD1 ASP A 49 7.305 4.161 -8.321 1.00 0.00 O ATOM 767 OD2 ASP A 49 6.324 3.124 -9.934 1.00 0.00 O ATOM 0 H ASP A 49 3.329 4.066 -8.517 1.00 0.00 H new ATOM 0 HA ASP A 49 3.886 2.797 -6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.416 2.051 -7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.228 1.673 -8.239 1.00 0.00 H new ATOM 772 N PRO A 50 4.652 4.668 -4.943 1.00 0.00 N ATOM 773 CA PRO A 50 5.242 5.374 -3.795 1.00 0.00 C ATOM 774 C PRO A 50 6.078 4.389 -2.965 1.00 0.00 C ATOM 775 O PRO A 50 5.820 3.201 -2.951 1.00 0.00 O ATOM 776 CB PRO A 50 4.034 5.928 -3.004 1.00 0.00 C ATOM 777 CG PRO A 50 2.744 5.530 -3.783 1.00 0.00 C ATOM 778 CD PRO A 50 3.175 4.658 -4.984 1.00 0.00 C ATOM 0 HA PRO A 50 5.916 6.181 -4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.015 5.517 -1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.104 7.011 -2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.060 4.980 -3.136 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.214 6.419 -4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.783 3.644 -4.898 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.802 5.066 -5.924 1.00 0.00 H new ATOM 786 N THR A 51 7.076 4.872 -2.278 1.00 0.00 N ATOM 787 CA THR A 51 7.923 3.961 -1.456 1.00 0.00 C ATOM 788 C THR A 51 7.100 3.424 -0.286 1.00 0.00 C ATOM 789 O THR A 51 6.026 3.913 0.005 1.00 0.00 O ATOM 790 CB THR A 51 9.134 4.730 -0.921 1.00 0.00 C ATOM 791 OG1 THR A 51 8.702 5.679 0.045 1.00 0.00 O ATOM 792 CG2 THR A 51 9.833 5.453 -2.073 1.00 0.00 C ATOM 0 H THR A 51 7.342 5.856 -2.250 1.00 0.00 H new ATOM 0 HA THR A 51 8.268 3.130 -2.071 1.00 0.00 H new ATOM 0 HB THR A 51 9.832 4.032 -0.458 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.476 6.171 0.390 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.695 6.000 -1.690 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.165 4.724 -2.812 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.138 6.151 -2.539 1.00 0.00 H new ATOM 800 N ALA A 52 7.592 2.424 0.390 1.00 0.00 N ATOM 801 CA ALA A 52 6.829 1.865 1.539 1.00 0.00 C ATOM 802 C ALA A 52 6.600 2.982 2.566 1.00 0.00 C ATOM 803 O ALA A 52 5.705 2.933 3.393 1.00 0.00 O ATOM 804 CB ALA A 52 7.641 0.739 2.184 1.00 0.00 C ATOM 0 H ALA A 52 8.486 1.971 0.197 1.00 0.00 H new ATOM 0 HA ALA A 52 5.872 1.471 1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.086 0.326 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.822 -0.046 1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.594 1.133 2.536 1.00 0.00 H new ATOM 810 N LYS A 53 7.428 3.988 2.508 1.00 0.00 N ATOM 811 CA LYS A 53 7.333 5.126 3.465 1.00 0.00 C ATOM 812 C LYS A 53 6.167 6.062 3.098 1.00 0.00 C ATOM 813 O LYS A 53 5.366 6.436 3.934 1.00 0.00 O ATOM 814 CB LYS A 53 8.660 5.898 3.432 1.00 0.00 C ATOM 815 CG LYS A 53 9.822 4.916 3.218 1.00 0.00 C ATOM 816 CD LYS A 53 11.178 5.620 3.466 1.00 0.00 C ATOM 817 CE LYS A 53 11.635 5.407 4.915 1.00 0.00 C ATOM 818 NZ LYS A 53 10.631 5.989 5.849 1.00 0.00 N ATOM 0 H LYS A 53 8.181 4.071 1.825 1.00 0.00 H new ATOM 0 HA LYS A 53 7.144 4.741 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.643 6.637 2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.799 6.443 4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.717 4.067 3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.790 4.522 2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.929 5.228 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.084 6.686 3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.758 4.343 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.607 5.875 5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.059 6.106 6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.321 6.915 5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.811 5.353 5.918 1.00 0.00 H new ATOM 832 N ASP A 54 6.014 6.406 1.855 1.00 0.00 N ATOM 833 CA ASP A 54 4.864 7.272 1.479 1.00 0.00 C ATOM 834 C ASP A 54 3.630 6.394 1.347 1.00 0.00 C ATOM 835 O ASP A 54 2.516 6.876 1.362 1.00 0.00 O ATOM 836 CB ASP A 54 5.145 8.006 0.171 1.00 0.00 C ATOM 837 CG ASP A 54 3.895 8.778 -0.257 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.578 9.759 0.396 1.00 0.00 O ATOM 839 OD2 ASP A 54 3.276 8.377 -1.227 1.00 0.00 O ATOM 0 H ASP A 54 6.627 6.130 1.088 1.00 0.00 H new ATOM 0 HA ASP A 54 4.702 8.027 2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.983 8.691 0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.430 7.295 -0.604 1.00 0.00 H new ATOM 844 N LEU A 55 3.799 5.108 1.286 1.00 0.00 N ATOM 845 CA LEU A 55 2.596 4.239 1.234 1.00 0.00 C ATOM 846 C LEU A 55 1.970 4.294 2.628 1.00 0.00 C ATOM 847 O LEU A 55 0.780 4.117 2.797 1.00 0.00 O ATOM 848 CB LEU A 55 2.989 2.794 0.888 1.00 0.00 C ATOM 849 CG LEU A 55 2.953 2.573 -0.638 1.00 0.00 C ATOM 850 CD1 LEU A 55 3.873 1.407 -1.015 1.00 0.00 C ATOM 851 CD2 LEU A 55 1.522 2.245 -1.087 1.00 0.00 C ATOM 0 H LEU A 55 4.698 4.627 1.270 1.00 0.00 H new ATOM 0 HA LEU A 55 1.899 4.578 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.988 2.582 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.307 2.099 1.378 1.00 0.00 H new ATOM 0 HG LEU A 55 3.291 3.484 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.844 1.255 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.894 1.635 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.537 0.501 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.506 2.090 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.182 1.339 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.861 3.072 -0.829 1.00 0.00 H new ATOM 863 N GLN A 56 2.775 4.558 3.630 1.00 0.00 N ATOM 864 CA GLN A 56 2.241 4.650 5.017 1.00 0.00 C ATOM 865 C GLN A 56 1.620 6.035 5.239 1.00 0.00 C ATOM 866 O GLN A 56 0.715 6.195 6.032 1.00 0.00 O ATOM 867 CB GLN A 56 3.383 4.441 6.015 1.00 0.00 C ATOM 868 CG GLN A 56 3.789 2.966 6.029 1.00 0.00 C ATOM 869 CD GLN A 56 5.032 2.788 6.902 1.00 0.00 C ATOM 870 OE1 GLN A 56 5.013 2.044 7.862 1.00 0.00 O ATOM 871 NE2 GLN A 56 6.122 3.443 6.607 1.00 0.00 N ATOM 0 H GLN A 56 3.779 4.713 3.542 1.00 0.00 H new ATOM 0 HA GLN A 56 1.480 3.884 5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.237 5.061 5.741 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.070 4.752 7.012 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.971 2.356 6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.992 2.624 5.014 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.139 4.068 5.801 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.957 3.330 7.182 1.00 0.00 H new ATOM 880 N ASP A 57 2.087 7.039 4.539 1.00 0.00 N ATOM 881 CA ASP A 57 1.498 8.405 4.717 1.00 0.00 C ATOM 882 C ASP A 57 0.203 8.513 3.905 1.00 0.00 C ATOM 883 O ASP A 57 -0.699 9.240 4.272 1.00 0.00 O ATOM 884 CB ASP A 57 2.493 9.481 4.278 1.00 0.00 C ATOM 885 CG ASP A 57 1.961 10.861 4.672 1.00 0.00 C ATOM 886 OD1 ASP A 57 0.898 11.222 4.195 1.00 0.00 O ATOM 887 OD2 ASP A 57 2.626 11.532 5.444 1.00 0.00 O ATOM 0 H ASP A 57 2.843 6.975 3.858 1.00 0.00 H new ATOM 0 HA ASP A 57 1.274 8.561 5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.463 9.307 4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.645 9.433 3.200 1.00 0.00 H new ATOM 892 N LEU A 58 0.065 7.768 2.847 1.00 0.00 N ATOM 893 CA LEU A 58 -1.216 7.812 2.078 1.00 0.00 C ATOM 894 C LEU A 58 -2.177 6.824 2.747 1.00 0.00 C ATOM 895 O LEU A 58 -3.380 6.912 2.599 1.00 0.00 O ATOM 896 CB LEU A 58 -0.973 7.430 0.607 1.00 0.00 C ATOM 897 CG LEU A 58 -0.677 8.687 -0.216 1.00 0.00 C ATOM 898 CD1 LEU A 58 0.551 9.400 0.353 1.00 0.00 C ATOM 899 CD2 LEU A 58 -0.407 8.291 -1.669 1.00 0.00 C ATOM 0 H LEU A 58 0.775 7.134 2.480 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.638 8.817 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.138 6.733 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.848 6.920 0.205 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.535 9.357 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.758 10.294 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.360 9.683 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.411 8.732 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.196 9.185 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.450 7.619 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.283 7.787 -2.077 1.00 0.00 H new ATOM 911 N LEU A 59 -1.651 5.912 3.516 1.00 0.00 N ATOM 912 CA LEU A 59 -2.517 4.937 4.240 1.00 0.00 C ATOM 913 C LEU A 59 -2.813 5.481 5.642 1.00 0.00 C ATOM 914 O LEU A 59 -3.720 5.033 6.304 1.00 0.00 O ATOM 915 CB LEU A 59 -1.802 3.579 4.337 1.00 0.00 C ATOM 916 CG LEU A 59 -2.673 2.557 5.124 1.00 0.00 C ATOM 917 CD1 LEU A 59 -2.592 1.174 4.466 1.00 0.00 C ATOM 918 CD2 LEU A 59 -2.179 2.438 6.576 1.00 0.00 C ATOM 0 H LEU A 59 -0.650 5.799 3.676 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.453 4.799 3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.598 3.197 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.840 3.703 4.833 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.703 2.913 5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.206 0.468 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.956 1.237 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.557 0.832 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.798 1.720 7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.143 2.099 6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.245 3.411 7.064 1.00 0.00 H new ATOM 930 N GLN A 60 -2.054 6.434 6.110 1.00 0.00 N ATOM 931 CA GLN A 60 -2.305 6.992 7.479 1.00 0.00 C ATOM 932 C GLN A 60 -3.204 8.230 7.385 1.00 0.00 C ATOM 933 O GLN A 60 -3.849 8.614 8.341 1.00 0.00 O ATOM 934 CB GLN A 60 -0.960 7.404 8.091 1.00 0.00 C ATOM 935 CG GLN A 60 -0.242 6.169 8.651 1.00 0.00 C ATOM 936 CD GLN A 60 -0.875 5.770 9.986 1.00 0.00 C ATOM 937 OE1 GLN A 60 -1.311 6.616 10.742 1.00 0.00 O ATOM 938 NE2 GLN A 60 -0.944 4.508 10.311 1.00 0.00 N ATOM 0 H GLN A 60 -1.271 6.853 5.608 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.795 6.238 8.095 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.339 7.885 7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.120 8.134 8.885 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.311 5.343 7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.818 6.383 8.789 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.578 3.797 9.677 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.364 4.232 11.199 1.00 0.00 H new ATOM 947 N TYR A 61 -3.242 8.865 6.241 1.00 0.00 N ATOM 948 CA TYR A 61 -4.087 10.088 6.078 1.00 0.00 C ATOM 949 C TYR A 61 -5.405 9.704 5.409 1.00 0.00 C ATOM 950 O TYR A 61 -6.474 10.012 5.898 1.00 0.00 O ATOM 951 CB TYR A 61 -3.346 11.104 5.196 1.00 0.00 C ATOM 952 CG TYR A 61 -2.308 11.837 6.020 1.00 0.00 C ATOM 953 CD1 TYR A 61 -1.240 11.130 6.587 1.00 0.00 C ATOM 954 CD2 TYR A 61 -2.412 13.222 6.217 1.00 0.00 C ATOM 955 CE1 TYR A 61 -0.279 11.804 7.350 1.00 0.00 C ATOM 956 CE2 TYR A 61 -1.450 13.895 6.980 1.00 0.00 C ATOM 957 CZ TYR A 61 -0.384 13.186 7.546 1.00 0.00 C ATOM 958 OH TYR A 61 0.563 13.851 8.298 1.00 0.00 O ATOM 0 H TYR A 61 -2.722 8.588 5.409 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.286 10.529 7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.866 10.593 4.361 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.054 11.815 4.770 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.158 10.064 6.435 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.234 13.769 5.780 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.543 11.258 7.787 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.530 14.961 7.132 1.00 0.00 H new ATOM 0 HH TYR A 61 0.341 14.805 8.334 1.00 0.00 H new ATOM 968 N LEU A 62 -5.339 9.031 4.295 1.00 0.00 N ATOM 969 CA LEU A 62 -6.596 8.630 3.607 1.00 0.00 C ATOM 970 C LEU A 62 -7.353 7.650 4.499 1.00 0.00 C ATOM 971 O LEU A 62 -8.546 7.472 4.350 1.00 0.00 O ATOM 972 CB LEU A 62 -6.277 7.986 2.255 1.00 0.00 C ATOM 973 CG LEU A 62 -7.543 7.931 1.384 1.00 0.00 C ATOM 974 CD1 LEU A 62 -7.936 9.342 0.898 1.00 0.00 C ATOM 975 CD2 LEU A 62 -7.273 7.022 0.179 1.00 0.00 C ATOM 0 H LEU A 62 -4.476 8.743 3.834 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.214 9.510 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.500 8.557 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.886 6.980 2.406 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.368 7.535 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.834 9.278 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.130 9.982 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.122 9.763 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.164 6.974 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.442 7.424 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.021 6.021 0.528 1.00 0.00 H new ATOM 987 N CYS A 63 -6.684 7.041 5.452 1.00 0.00 N ATOM 988 CA CYS A 63 -7.381 6.101 6.389 1.00 0.00 C ATOM 989 C CYS A 63 -7.413 6.768 7.768 1.00 0.00 C ATOM 990 O CYS A 63 -7.671 7.950 7.881 1.00 0.00 O ATOM 991 CB CYS A 63 -6.605 4.782 6.459 1.00 0.00 C ATOM 992 SG CYS A 63 -5.889 4.425 4.835 1.00 0.00 S ATOM 0 H CYS A 63 -5.685 7.155 5.621 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.394 5.887 6.047 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.818 4.849 7.210 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.268 3.972 6.763 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.799 3.138 4.674 1.00 0.00 H new ATOM 998 N SER A 64 -7.128 6.042 8.820 1.00 0.00 N ATOM 999 CA SER A 64 -7.123 6.684 10.166 1.00 0.00 C ATOM 1000 C SER A 64 -6.326 5.838 11.166 1.00 0.00 C ATOM 1001 O SER A 64 -5.393 6.315 11.780 1.00 0.00 O ATOM 1002 CB SER A 64 -8.555 6.847 10.651 1.00 0.00 C ATOM 1003 OG SER A 64 -8.550 7.229 12.020 1.00 0.00 O ATOM 0 H SER A 64 -6.902 5.047 8.805 1.00 0.00 H new ATOM 0 HA SER A 64 -6.648 7.662 10.089 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.069 7.600 10.054 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.102 5.913 10.525 1.00 0.00 H new ATOM 0 HG SER A 64 -9.472 7.336 12.333 1.00 0.00 H new ATOM 1009 N SER A 65 -6.681 4.595 11.350 1.00 0.00 N ATOM 1010 CA SER A 65 -5.925 3.755 12.327 1.00 0.00 C ATOM 1011 C SER A 65 -6.298 2.280 12.161 1.00 0.00 C ATOM 1012 O SER A 65 -5.530 1.489 11.640 1.00 0.00 O ATOM 1013 CB SER A 65 -6.262 4.204 13.749 1.00 0.00 C ATOM 1014 OG SER A 65 -5.747 3.257 14.675 1.00 0.00 O ATOM 0 H SER A 65 -7.452 4.128 10.873 1.00 0.00 H new ATOM 0 HA SER A 65 -4.857 3.874 12.142 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.835 5.188 13.943 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.342 4.296 13.867 1.00 0.00 H new ATOM 0 HG SER A 65 -5.960 3.543 15.588 1.00 0.00 H new ATOM 1020 N LEU A 66 -7.468 1.894 12.604 1.00 0.00 N ATOM 1021 CA LEU A 66 -7.883 0.468 12.472 1.00 0.00 C ATOM 1022 C LEU A 66 -7.566 -0.019 11.061 1.00 0.00 C ATOM 1023 O LEU A 66 -6.814 -0.944 10.889 1.00 0.00 O ATOM 1024 CB LEU A 66 -9.389 0.344 12.748 1.00 0.00 C ATOM 1025 CG LEU A 66 -9.636 0.281 14.260 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -8.937 1.456 14.949 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -11.140 0.353 14.531 1.00 0.00 C ATOM 0 H LEU A 66 -8.152 2.505 13.051 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.340 -0.143 13.193 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.918 1.195 12.319 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.784 -0.552 12.268 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.237 -0.654 14.652 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.116 1.407 16.023 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.865 1.405 14.757 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.332 2.394 14.558 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.319 0.308 15.605 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.537 1.288 14.136 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.638 -0.486 14.045 1.00 0.00 H new ATOM 1039 N VAL A 67 -8.169 0.567 10.059 1.00 0.00 N ATOM 1040 CA VAL A 67 -7.927 0.111 8.650 1.00 0.00 C ATOM 1041 C VAL A 67 -6.479 -0.388 8.486 1.00 0.00 C ATOM 1042 O VAL A 67 -6.215 -1.346 7.788 1.00 0.00 O ATOM 1043 CB VAL A 67 -8.167 1.272 7.694 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -8.204 0.753 6.255 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -9.499 1.946 8.029 1.00 0.00 C ATOM 0 H VAL A 67 -8.822 1.345 10.153 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.611 -0.707 8.424 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.359 1.996 7.797 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.376 1.585 5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.253 0.277 6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.010 0.026 6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.669 2.777 7.344 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.308 1.222 7.930 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.470 2.320 9.052 1.00 0.00 H new ATOM 1055 N ALA A 68 -5.541 0.256 9.151 1.00 0.00 N ATOM 1056 CA ALA A 68 -4.113 -0.177 9.063 1.00 0.00 C ATOM 1057 C ALA A 68 -3.979 -1.554 9.712 1.00 0.00 C ATOM 1058 O ALA A 68 -3.340 -2.442 9.183 1.00 0.00 O ATOM 1059 CB ALA A 68 -3.224 0.827 9.800 1.00 0.00 C ATOM 0 H ALA A 68 -5.709 1.064 9.751 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.803 -0.225 8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.184 0.509 9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.332 1.811 9.344 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.522 0.877 10.847 1.00 0.00 H new ATOM 1065 N SER A 69 -4.643 -1.761 10.818 1.00 0.00 N ATOM 1066 CA SER A 69 -4.630 -3.103 11.459 1.00 0.00 C ATOM 1067 C SER A 69 -5.147 -4.107 10.430 1.00 0.00 C ATOM 1068 O SER A 69 -4.413 -4.858 9.819 1.00 0.00 O ATOM 1069 CB SER A 69 -5.614 -3.080 12.636 1.00 0.00 C ATOM 1070 OG SER A 69 -5.741 -4.394 13.163 1.00 0.00 O ATOM 0 H SER A 69 -5.195 -1.055 11.305 1.00 0.00 H new ATOM 0 HA SER A 69 -3.629 -3.366 11.801 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.260 -2.398 13.409 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.586 -2.712 12.307 1.00 0.00 H new ATOM 0 HG SER A 69 -6.367 -4.385 13.917 1.00 0.00 H new ATOM 1076 N LEU A 70 -6.440 -4.083 10.250 1.00 0.00 N ATOM 1077 CA LEU A 70 -7.164 -4.958 9.291 1.00 0.00 C ATOM 1078 C LEU A 70 -6.402 -5.224 7.979 1.00 0.00 C ATOM 1079 O LEU A 70 -6.073 -6.342 7.644 1.00 0.00 O ATOM 1080 CB LEU A 70 -8.461 -4.199 8.919 1.00 0.00 C ATOM 1081 CG LEU A 70 -9.503 -4.306 10.048 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -8.995 -3.605 11.309 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -10.808 -3.647 9.591 1.00 0.00 C ATOM 0 H LEU A 70 -7.056 -3.452 10.763 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.318 -5.926 9.768 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.232 -3.151 8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.875 -4.608 7.997 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.675 -5.358 10.275 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.742 -3.689 12.098 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.067 -4.073 11.637 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.813 -2.552 11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.550 -3.719 10.386 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.624 -2.598 9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.179 -4.154 8.701 1.00 0.00 H new ATOM 1095 N HIS A 71 -6.266 -4.210 7.161 1.00 0.00 N ATOM 1096 CA HIS A 71 -5.689 -4.432 5.803 1.00 0.00 C ATOM 1097 C HIS A 71 -4.309 -5.111 5.872 1.00 0.00 C ATOM 1098 O HIS A 71 -4.078 -6.154 5.269 1.00 0.00 O ATOM 1099 CB HIS A 71 -5.623 -3.084 5.049 1.00 0.00 C ATOM 1100 CG HIS A 71 -4.536 -3.096 4.000 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -4.766 -3.506 2.698 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -3.207 -2.755 4.056 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -3.603 -3.405 2.029 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -2.620 -2.951 2.810 1.00 0.00 N ATOM 0 H HIS A 71 -6.527 -3.247 7.373 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.338 -5.114 5.254 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.585 -2.881 4.577 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.439 -2.277 5.758 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -5.656 -3.826 2.315 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.695 -2.390 4.934 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -3.480 -3.660 0.987 1.00 0.00 H new ATOM 1112 N HIS A 72 -3.370 -4.513 6.565 1.00 0.00 N ATOM 1113 CA HIS A 72 -2.022 -5.134 6.605 1.00 0.00 C ATOM 1114 C HIS A 72 -2.158 -6.490 7.282 1.00 0.00 C ATOM 1115 O HIS A 72 -1.315 -7.353 7.146 1.00 0.00 O ATOM 1116 CB HIS A 72 -1.019 -4.236 7.333 1.00 0.00 C ATOM 1117 CG HIS A 72 0.280 -4.971 7.513 1.00 0.00 C ATOM 1118 ND1 HIS A 72 0.410 -6.043 8.383 1.00 0.00 N ATOM 1119 CD2 HIS A 72 1.518 -4.797 6.946 1.00 0.00 C ATOM 1120 CE1 HIS A 72 1.684 -6.468 8.315 1.00 0.00 C ATOM 1121 NE2 HIS A 72 2.404 -5.743 7.454 1.00 0.00 N ATOM 0 H HIS A 72 -3.479 -3.645 7.090 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.635 -5.263 5.594 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.855 -3.321 6.763 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.418 -3.940 8.303 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.767 -4.041 6.216 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.078 -7.295 8.887 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.390 -5.858 7.220 1.00 0.00 H new ATOM 1129 N GLN A 73 -3.260 -6.709 7.961 1.00 0.00 N ATOM 1130 CA GLN A 73 -3.479 -8.044 8.577 1.00 0.00 C ATOM 1131 C GLN A 73 -3.323 -9.039 7.428 1.00 0.00 C ATOM 1132 O GLN A 73 -2.494 -9.922 7.468 1.00 0.00 O ATOM 1133 CB GLN A 73 -4.885 -8.136 9.202 1.00 0.00 C ATOM 1134 CG GLN A 73 -4.891 -9.160 10.341 1.00 0.00 C ATOM 1135 CD GLN A 73 -4.072 -8.623 11.517 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -4.246 -7.493 11.928 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -3.180 -9.391 12.079 1.00 0.00 N ATOM 0 H GLN A 73 -4.004 -6.028 8.111 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.775 -8.243 9.385 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.188 -7.159 9.580 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.611 -8.423 8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.914 -9.360 10.658 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.474 -10.106 9.996 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.034 -10.340 11.734 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.629 -9.043 12.863 1.00 0.00 H new ATOM 1146 N GLN A 74 -4.107 -8.879 6.381 1.00 0.00 N ATOM 1147 CA GLN A 74 -3.973 -9.797 5.207 1.00 0.00 C ATOM 1148 C GLN A 74 -2.477 -9.903 4.900 1.00 0.00 C ATOM 1149 O GLN A 74 -1.835 -10.887 5.209 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.699 -9.191 4.001 1.00 0.00 C ATOM 1151 CG GLN A 74 -6.209 -9.408 4.142 1.00 0.00 C ATOM 1152 CD GLN A 74 -6.699 -8.757 5.435 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -7.156 -9.433 6.335 1.00 0.00 O ATOM 1154 NE2 GLN A 74 -6.624 -7.461 5.567 1.00 0.00 N ATOM 0 H GLN A 74 -4.825 -8.160 6.293 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.404 -10.776 5.418 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -4.480 -8.125 3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.341 -9.651 3.080 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.730 -8.979 3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.435 -10.474 4.151 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.240 -6.893 4.812 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.949 -7.016 6.425 1.00 0.00 H new ATOM 1163 N LEU A 75 -1.915 -8.829 4.354 1.00 0.00 N ATOM 1164 CA LEU A 75 -0.436 -8.748 4.077 1.00 0.00 C ATOM 1165 C LEU A 75 0.341 -9.537 5.131 1.00 0.00 C ATOM 1166 O LEU A 75 1.037 -10.477 4.805 1.00 0.00 O ATOM 1167 CB LEU A 75 -0.032 -7.257 4.150 1.00 0.00 C ATOM 1168 CG LEU A 75 1.175 -6.980 3.238 1.00 0.00 C ATOM 1169 CD1 LEU A 75 1.579 -5.509 3.363 1.00 0.00 C ATOM 1170 CD2 LEU A 75 2.348 -7.868 3.662 1.00 0.00 C ATOM 0 H LEU A 75 -2.435 -7.994 4.086 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.210 -9.168 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.873 -6.631 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.213 -6.991 5.178 1.00 0.00 H new ATOM 0 HG LEU A 75 0.908 -7.198 2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.434 -5.310 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.744 -4.876 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.847 -5.292 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.204 -7.673 3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.615 -7.649 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.061 -8.916 3.576 1.00 0.00 H new ATOM 1182 N ASP A 76 0.213 -9.160 6.383 1.00 0.00 N ATOM 1183 CA ASP A 76 0.913 -9.876 7.502 1.00 0.00 C ATOM 1184 C ASP A 76 1.184 -11.339 7.126 1.00 0.00 C ATOM 1185 O ASP A 76 2.300 -11.751 6.853 1.00 0.00 O ATOM 1186 CB ASP A 76 -0.029 -9.846 8.735 1.00 0.00 C ATOM 1187 CG ASP A 76 0.791 -9.959 10.027 1.00 0.00 C ATOM 1188 OD1 ASP A 76 1.654 -10.820 10.084 1.00 0.00 O ATOM 1189 OD2 ASP A 76 0.541 -9.183 10.934 1.00 0.00 O ATOM 0 H ASP A 76 -0.359 -8.370 6.683 1.00 0.00 H new ATOM 0 HA ASP A 76 1.866 -9.390 7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.605 -8.921 8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.744 -10.666 8.676 1.00 0.00 H new ATOM 1194 N SER A 77 0.139 -12.117 7.102 1.00 0.00 N ATOM 1195 CA SER A 77 0.262 -13.544 6.749 1.00 0.00 C ATOM 1196 C SER A 77 0.388 -13.696 5.240 1.00 0.00 C ATOM 1197 O SER A 77 0.988 -14.639 4.764 1.00 0.00 O ATOM 1198 CB SER A 77 -0.996 -14.271 7.203 1.00 0.00 C ATOM 1199 OG SER A 77 -1.022 -14.330 8.622 1.00 0.00 O ATOM 0 H SER A 77 -0.810 -11.811 7.317 1.00 0.00 H new ATOM 0 HA SER A 77 1.145 -13.960 7.234 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.881 -13.754 6.833 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.018 -15.278 6.786 1.00 0.00 H new ATOM 0 HG SER A 77 -1.832 -14.796 8.915 1.00 0.00 H new ATOM 1205 N LEU A 78 -0.190 -12.802 4.466 1.00 0.00 N ATOM 1206 CA LEU A 78 -0.094 -12.963 2.994 1.00 0.00 C ATOM 1207 C LEU A 78 1.368 -13.195 2.649 1.00 0.00 C ATOM 1208 O LEU A 78 1.716 -14.147 1.984 1.00 0.00 O ATOM 1209 CB LEU A 78 -0.639 -11.710 2.274 1.00 0.00 C ATOM 1210 CG LEU A 78 -1.472 -12.130 1.064 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -2.238 -10.921 0.513 1.00 0.00 C ATOM 1212 CD2 LEU A 78 -0.547 -12.685 -0.021 1.00 0.00 C ATOM 0 H LEU A 78 -0.711 -11.988 4.790 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.695 -13.810 2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.248 -11.121 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.187 -11.074 1.955 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.184 -12.897 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.830 -11.227 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.899 -10.526 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.530 -10.149 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.139 -12.985 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.166 -11.917 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.008 -13.549 0.367 1.00 0.00 H new ATOM 1224 N ILE A 79 2.237 -12.357 3.150 1.00 0.00 N ATOM 1225 CA ILE A 79 3.679 -12.560 2.913 1.00 0.00 C ATOM 1226 C ILE A 79 4.007 -13.969 3.404 1.00 0.00 C ATOM 1227 O ILE A 79 4.560 -14.777 2.685 1.00 0.00 O ATOM 1228 CB ILE A 79 4.462 -11.444 3.694 1.00 0.00 C ATOM 1229 CG1 ILE A 79 5.611 -10.889 2.829 1.00 0.00 C ATOM 1230 CG2 ILE A 79 5.063 -11.947 5.021 1.00 0.00 C ATOM 1231 CD1 ILE A 79 5.070 -10.217 1.555 1.00 0.00 C ATOM 0 H ILE A 79 2.000 -11.541 3.714 1.00 0.00 H new ATOM 0 HA ILE A 79 3.962 -12.480 1.863 1.00 0.00 H new ATOM 0 HB ILE A 79 3.731 -10.668 3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.190 -10.168 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.289 -11.698 2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.591 -11.131 5.514 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.264 -12.306 5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.760 -12.761 4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.902 -9.835 0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.513 -10.947 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.411 -9.393 1.830 1.00 0.00 H new ATOM 1243 N SER A 80 3.670 -14.269 4.630 1.00 0.00 N ATOM 1244 CA SER A 80 3.967 -15.623 5.157 1.00 0.00 C ATOM 1245 C SER A 80 3.483 -16.680 4.164 1.00 0.00 C ATOM 1246 O SER A 80 4.217 -17.577 3.787 1.00 0.00 O ATOM 1247 CB SER A 80 3.257 -15.823 6.495 1.00 0.00 C ATOM 1248 OG SER A 80 3.502 -14.699 7.330 1.00 0.00 O ATOM 0 H SER A 80 3.205 -13.637 5.282 1.00 0.00 H new ATOM 0 HA SER A 80 5.043 -15.723 5.299 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.186 -15.946 6.336 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.614 -16.733 6.977 1.00 0.00 H new ATOM 0 HG SER A 80 3.046 -14.824 8.189 1.00 0.00 H new ATOM 1254 N GLU A 81 2.245 -16.616 3.751 1.00 0.00 N ATOM 1255 CA GLU A 81 1.742 -17.655 2.821 1.00 0.00 C ATOM 1256 C GLU A 81 2.238 -17.422 1.394 1.00 0.00 C ATOM 1257 O GLU A 81 2.349 -18.358 0.625 1.00 0.00 O ATOM 1258 CB GLU A 81 0.213 -17.631 2.825 1.00 0.00 C ATOM 1259 CG GLU A 81 -0.299 -17.774 4.260 1.00 0.00 C ATOM 1260 CD GLU A 81 -1.820 -17.612 4.278 1.00 0.00 C ATOM 1261 OE1 GLU A 81 -2.285 -16.528 3.966 1.00 0.00 O ATOM 1262 OE2 GLU A 81 -2.495 -18.576 4.602 1.00 0.00 O ATOM 0 H GLU A 81 1.572 -15.897 4.016 1.00 0.00 H new ATOM 0 HA GLU A 81 2.116 -18.622 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.147 -16.698 2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.175 -18.441 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.022 -18.749 4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.165 -17.023 4.899 1.00 0.00 H new ATOM 1269 N ALA A 82 2.473 -16.197 0.981 1.00 0.00 N ATOM 1270 CA ALA A 82 2.873 -16.007 -0.446 1.00 0.00 C ATOM 1271 C ALA A 82 4.318 -16.451 -0.646 1.00 0.00 C ATOM 1272 O ALA A 82 4.666 -17.075 -1.624 1.00 0.00 O ATOM 1273 CB ALA A 82 2.734 -14.535 -0.842 1.00 0.00 C ATOM 0 H ALA A 82 2.408 -15.351 1.548 1.00 0.00 H new ATOM 0 HA ALA A 82 2.218 -16.611 -1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.028 -14.409 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.698 -14.221 -0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.377 -13.925 -0.207 1.00 0.00 H new ATOM 1279 N GLU A 83 5.175 -16.090 0.280 1.00 0.00 N ATOM 1280 CA GLU A 83 6.605 -16.456 0.129 1.00 0.00 C ATOM 1281 C GLU A 83 6.706 -17.977 0.117 1.00 0.00 C ATOM 1282 O GLU A 83 7.542 -18.551 -0.553 1.00 0.00 O ATOM 1283 CB GLU A 83 7.446 -15.858 1.266 1.00 0.00 C ATOM 1284 CG GLU A 83 7.058 -16.496 2.606 1.00 0.00 C ATOM 1285 CD GLU A 83 7.768 -17.843 2.773 1.00 0.00 C ATOM 1286 OE1 GLU A 83 8.986 -17.859 2.724 1.00 0.00 O ATOM 1287 OE2 GLU A 83 7.079 -18.836 2.946 1.00 0.00 O ATOM 0 H GLU A 83 4.943 -15.564 1.122 1.00 0.00 H new ATOM 0 HA GLU A 83 6.996 -16.051 -0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.505 -16.023 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.295 -14.780 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.327 -15.830 3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.978 -16.637 2.651 1.00 0.00 H new ATOM 1294 N THR A 84 5.839 -18.635 0.840 1.00 0.00 N ATOM 1295 CA THR A 84 5.863 -20.122 0.853 1.00 0.00 C ATOM 1296 C THR A 84 5.664 -20.630 -0.588 1.00 0.00 C ATOM 1297 O THR A 84 6.389 -21.483 -1.059 1.00 0.00 O ATOM 1298 CB THR A 84 4.718 -20.626 1.771 1.00 0.00 C ATOM 1299 OG1 THR A 84 4.138 -19.513 2.435 1.00 0.00 O ATOM 1300 CG2 THR A 84 5.255 -21.608 2.821 1.00 0.00 C ATOM 0 H THR A 84 5.118 -18.206 1.420 1.00 0.00 H new ATOM 0 HA THR A 84 6.815 -20.494 1.233 1.00 0.00 H new ATOM 0 HB THR A 84 3.976 -21.138 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.795 -19.117 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.435 -21.949 3.454 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.707 -22.464 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.005 -21.110 3.436 1.00 0.00 H new ATOM 1308 N ARG A 85 4.665 -20.118 -1.271 1.00 0.00 N ATOM 1309 CA ARG A 85 4.373 -20.563 -2.673 1.00 0.00 C ATOM 1310 C ARG A 85 5.659 -20.818 -3.453 1.00 0.00 C ATOM 1311 O ARG A 85 5.700 -21.667 -4.321 1.00 0.00 O ATOM 1312 CB ARG A 85 3.564 -19.478 -3.405 1.00 0.00 C ATOM 1313 CG ARG A 85 3.405 -19.836 -4.909 1.00 0.00 C ATOM 1314 CD ARG A 85 4.430 -19.069 -5.769 1.00 0.00 C ATOM 1315 NE ARG A 85 4.611 -19.773 -7.069 1.00 0.00 N ATOM 1316 CZ ARG A 85 5.186 -19.160 -8.068 1.00 0.00 C ATOM 1317 NH1 ARG A 85 5.606 -17.933 -7.925 1.00 0.00 N ATOM 1318 NH2 ARG A 85 5.340 -19.773 -9.209 1.00 0.00 N ATOM 0 H ARG A 85 4.033 -19.403 -0.912 1.00 0.00 H new ATOM 0 HA ARG A 85 3.804 -21.491 -2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.582 -19.376 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.064 -18.515 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.539 -20.909 -5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.395 -19.595 -5.239 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.087 -18.049 -5.940 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.383 -19.001 -5.244 1.00 0.00 H new ATOM 0 HE ARG A 85 4.286 -20.734 -7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.485 -17.453 -7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.055 -17.454 -8.705 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.011 -20.732 -9.321 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.789 -19.293 -9.989 1.00 0.00 H new ATOM 1332 N GLY A 86 6.709 -20.091 -3.169 1.00 0.00 N ATOM 1333 CA GLY A 86 7.994 -20.297 -3.917 1.00 0.00 C ATOM 1334 C GLY A 86 8.187 -19.160 -4.927 1.00 0.00 C ATOM 1335 O GLY A 86 8.347 -19.384 -6.110 1.00 0.00 O ATOM 0 H GLY A 86 6.736 -19.364 -2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.832 -20.325 -3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.977 -21.257 -4.433 1.00 0.00 H new ATOM 1339 N ILE A 87 8.182 -17.941 -4.461 1.00 0.00 N ATOM 1340 CA ILE A 87 8.375 -16.774 -5.374 1.00 0.00 C ATOM 1341 C ILE A 87 9.760 -16.880 -6.038 1.00 0.00 C ATOM 1342 O ILE A 87 10.256 -17.962 -6.281 1.00 0.00 O ATOM 1343 CB ILE A 87 8.272 -15.488 -4.526 1.00 0.00 C ATOM 1344 CG1 ILE A 87 6.975 -15.549 -3.700 1.00 0.00 C ATOM 1345 CG2 ILE A 87 8.286 -14.205 -5.406 1.00 0.00 C ATOM 1346 CD1 ILE A 87 5.754 -15.683 -4.619 1.00 0.00 C ATOM 0 H ILE A 87 8.051 -17.700 -3.479 1.00 0.00 H new ATOM 0 HA ILE A 87 7.618 -16.756 -6.158 1.00 0.00 H new ATOM 0 HB ILE A 87 9.141 -15.434 -3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.014 -16.395 -3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.882 -14.649 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.212 -13.325 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.215 -14.164 -5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.441 -14.226 -6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.847 -15.725 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.706 -14.824 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.840 -16.596 -5.208 1.00 0.00 H new ATOM 1358 N THR A 88 10.377 -15.767 -6.327 1.00 0.00 N ATOM 1359 CA THR A 88 11.723 -15.795 -6.964 1.00 0.00 C ATOM 1360 C THR A 88 12.714 -16.359 -5.951 1.00 0.00 C ATOM 1361 O THR A 88 13.689 -15.725 -5.599 1.00 0.00 O ATOM 1362 CB THR A 88 12.139 -14.377 -7.363 1.00 0.00 C ATOM 1363 OG1 THR A 88 11.062 -13.741 -8.036 1.00 0.00 O ATOM 1364 CG2 THR A 88 13.356 -14.442 -8.288 1.00 0.00 C ATOM 0 H THR A 88 10.004 -14.835 -6.148 1.00 0.00 H new ATOM 0 HA THR A 88 11.704 -16.415 -7.860 1.00 0.00 H new ATOM 0 HB THR A 88 12.395 -13.808 -6.470 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.326 -12.832 -8.291 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.652 -13.432 -8.572 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.182 -14.930 -7.769 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.103 -15.011 -9.183 1.00 0.00 H new ATOM 1372 N SER A 89 12.459 -17.549 -5.470 1.00 0.00 N ATOM 1373 CA SER A 89 13.366 -18.170 -4.459 1.00 0.00 C ATOM 1374 C SER A 89 13.713 -17.132 -3.388 1.00 0.00 C ATOM 1375 O SER A 89 14.634 -17.307 -2.622 1.00 0.00 O ATOM 1376 CB SER A 89 14.643 -18.665 -5.139 1.00 0.00 C ATOM 1377 OG SER A 89 15.472 -19.301 -4.176 1.00 0.00 O ATOM 0 H SER A 89 11.657 -18.120 -5.736 1.00 0.00 H new ATOM 0 HA SER A 89 12.865 -19.019 -3.994 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.396 -19.362 -5.940 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.173 -17.829 -5.596 1.00 0.00 H new ATOM 0 HG SER A 89 15.501 -18.759 -3.360 1.00 0.00 H new ATOM 1383 N TYR A 90 12.942 -16.071 -3.336 1.00 0.00 N ATOM 1384 CA TYR A 90 13.134 -14.970 -2.334 1.00 0.00 C ATOM 1385 C TYR A 90 14.606 -14.536 -2.203 1.00 0.00 C ATOM 1386 O TYR A 90 15.506 -15.334 -2.056 1.00 0.00 O ATOM 1387 CB TYR A 90 12.581 -15.399 -0.968 1.00 0.00 C ATOM 1388 CG TYR A 90 12.969 -16.827 -0.667 1.00 0.00 C ATOM 1389 CD1 TYR A 90 12.146 -17.879 -1.087 1.00 0.00 C ATOM 1390 CD2 TYR A 90 14.151 -17.099 0.032 1.00 0.00 C ATOM 1391 CE1 TYR A 90 12.505 -19.203 -0.809 1.00 0.00 C ATOM 1392 CE2 TYR A 90 14.510 -18.424 0.311 1.00 0.00 C ATOM 1393 CZ TYR A 90 13.686 -19.475 -0.110 1.00 0.00 C ATOM 1394 OH TYR A 90 14.040 -20.781 0.165 1.00 0.00 O ATOM 0 H TYR A 90 12.158 -15.917 -3.971 1.00 0.00 H new ATOM 0 HA TYR A 90 12.581 -14.104 -2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 90 12.965 -14.739 -0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 90 11.495 -15.301 -0.961 1.00 0.00 H new ATOM 0 HD1 TYR A 90 11.234 -17.669 -1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 90 14.786 -16.288 0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 90 11.871 -20.014 -1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 90 15.422 -18.635 0.850 1.00 0.00 H new ATOM 0 HH TYR A 90 14.888 -20.794 0.656 1.00 0.00 H new ATOM 1404 N ASN A 91 14.848 -13.249 -2.261 1.00 0.00 N ATOM 1405 CA ASN A 91 16.243 -12.726 -2.156 1.00 0.00 C ATOM 1406 C ASN A 91 16.296 -11.451 -1.254 1.00 0.00 C ATOM 1407 O ASN A 91 16.848 -11.526 -0.174 1.00 0.00 O ATOM 1408 CB ASN A 91 16.765 -12.446 -3.587 1.00 0.00 C ATOM 1409 CG ASN A 91 17.555 -13.655 -4.116 1.00 0.00 C ATOM 1410 OD1 ASN A 91 18.668 -13.511 -4.582 1.00 0.00 O ATOM 1411 ND2 ASN A 91 17.022 -14.845 -4.059 1.00 0.00 N ATOM 0 H ASN A 91 14.131 -12.533 -2.378 1.00 0.00 H new ATOM 0 HA ASN A 91 16.887 -13.465 -1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 91 15.927 -12.232 -4.251 1.00 0.00 H new ATOM 0 HB3 ASN A 91 17.402 -11.561 -3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 91 17.540 -15.653 -4.405 1.00 0.00 H new ATOM 0 HD22 ASN A 91 16.088 -14.967 -3.668 1.00 0.00 H new ATOM 1418 N PRO A 92 15.739 -10.310 -1.686 1.00 0.00 N ATOM 1419 CA PRO A 92 15.766 -9.062 -0.863 1.00 0.00 C ATOM 1420 C PRO A 92 14.747 -9.085 0.276 1.00 0.00 C ATOM 1421 O PRO A 92 14.953 -8.440 1.286 1.00 0.00 O ATOM 1422 CB PRO A 92 15.351 -7.964 -1.847 1.00 0.00 C ATOM 1423 CG PRO A 92 14.510 -8.683 -2.923 1.00 0.00 C ATOM 1424 CD PRO A 92 15.053 -10.118 -2.996 1.00 0.00 C ATOM 0 HA PRO A 92 16.745 -8.926 -0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.772 -7.187 -1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.223 -7.479 -2.287 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.453 -8.679 -2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.600 -8.182 -3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.250 -10.842 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.743 -10.242 -3.830 1.00 0.00 H new ATOM 1432 N LEU A 93 13.648 -9.776 0.136 1.00 0.00 N ATOM 1433 CA LEU A 93 12.655 -9.761 1.250 1.00 0.00 C ATOM 1434 C LEU A 93 13.408 -10.052 2.535 1.00 0.00 C ATOM 1435 O LEU A 93 13.345 -9.286 3.451 1.00 0.00 O ATOM 1436 CB LEU A 93 11.548 -10.792 1.016 1.00 0.00 C ATOM 1437 CG LEU A 93 11.261 -10.903 -0.497 1.00 0.00 C ATOM 1438 CD1 LEU A 93 12.122 -12.019 -1.104 1.00 0.00 C ATOM 1439 CD2 LEU A 93 9.772 -11.226 -0.717 1.00 0.00 C ATOM 0 H LEU A 93 13.398 -10.337 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 93 12.168 -8.788 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.850 -11.762 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.643 -10.498 1.548 1.00 0.00 H new ATOM 0 HG LEU A 93 11.502 -9.956 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.918 -12.096 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.176 -11.789 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.884 -12.966 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.571 -11.304 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.529 -12.171 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.160 -10.431 -0.290 1.00 0.00 H new ATOM 1451 N ALA A 94 14.114 -11.163 2.549 1.00 0.00 N ATOM 1452 CA ALA A 94 14.945 -11.608 3.729 1.00 0.00 C ATOM 1453 C ALA A 94 14.994 -10.510 4.800 1.00 0.00 C ATOM 1454 O ALA A 94 14.606 -10.703 5.935 1.00 0.00 O ATOM 1455 CB ALA A 94 16.361 -11.899 3.230 1.00 0.00 C ATOM 0 H ALA A 94 14.151 -11.807 1.759 1.00 0.00 H new ATOM 0 HA ALA A 94 14.502 -12.499 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 94 16.982 -12.223 4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.327 -12.686 2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 94 16.785 -10.996 2.792 1.00 0.00 H new ATOM 1461 N GLY A 95 15.427 -9.342 4.411 1.00 0.00 N ATOM 1462 CA GLY A 95 15.460 -8.187 5.360 1.00 0.00 C ATOM 1463 C GLY A 95 14.006 -7.800 5.678 1.00 0.00 C ATOM 1464 O GLY A 95 13.115 -8.598 5.490 1.00 0.00 O ATOM 0 H GLY A 95 15.762 -9.134 3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.992 -8.457 6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.992 -7.344 4.918 1.00 0.00 H new ATOM 1468 N PRO A 96 13.769 -6.602 6.154 1.00 0.00 N ATOM 1469 CA PRO A 96 12.384 -6.186 6.446 1.00 0.00 C ATOM 1470 C PRO A 96 11.675 -5.904 5.099 1.00 0.00 C ATOM 1471 O PRO A 96 12.315 -5.904 4.066 1.00 0.00 O ATOM 1472 CB PRO A 96 12.540 -4.917 7.305 1.00 0.00 C ATOM 1473 CG PRO A 96 14.049 -4.509 7.247 1.00 0.00 C ATOM 1474 CD PRO A 96 14.810 -5.624 6.484 1.00 0.00 C ATOM 0 HA PRO A 96 11.785 -6.931 6.971 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.908 -4.114 6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.231 -5.107 8.333 1.00 0.00 H new ATOM 0 HG2 PRO A 96 14.167 -3.551 6.741 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.452 -4.390 8.253 1.00 0.00 H new ATOM 0 HD2 PRO A 96 15.292 -5.236 5.587 1.00 0.00 H new ATOM 0 HD3 PRO A 96 15.593 -6.067 7.100 1.00 0.00 H new ATOM 1482 N LEU A 97 10.388 -5.655 5.071 1.00 0.00 N ATOM 1483 CA LEU A 97 9.727 -5.373 3.750 1.00 0.00 C ATOM 1484 C LEU A 97 10.069 -3.940 3.303 1.00 0.00 C ATOM 1485 O LEU A 97 10.621 -3.738 2.238 1.00 0.00 O ATOM 1486 CB LEU A 97 8.210 -5.529 3.886 1.00 0.00 C ATOM 1487 CG LEU A 97 7.895 -6.768 4.728 1.00 0.00 C ATOM 1488 CD1 LEU A 97 6.380 -6.972 4.790 1.00 0.00 C ATOM 1489 CD2 LEU A 97 8.549 -7.998 4.093 1.00 0.00 C ATOM 0 H LEU A 97 9.774 -5.634 5.885 1.00 0.00 H new ATOM 0 HA LEU A 97 10.090 -6.080 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.783 -4.641 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.754 -5.621 2.900 1.00 0.00 H new ATOM 0 HG LEU A 97 8.285 -6.629 5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.156 -7.854 5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.913 -6.097 5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.990 -7.110 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.324 -8.880 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.160 -8.137 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.629 -7.854 4.049 1.00 0.00 H new ATOM 1501 N ARG A 98 9.722 -2.946 4.098 1.00 0.00 N ATOM 1502 CA ARG A 98 10.016 -1.514 3.732 1.00 0.00 C ATOM 1503 C ARG A 98 11.388 -1.425 3.050 1.00 0.00 C ATOM 1504 O ARG A 98 11.664 -0.556 2.251 1.00 0.00 O ATOM 1505 CB ARG A 98 10.055 -0.681 5.019 1.00 0.00 C ATOM 1506 CG ARG A 98 8.629 -0.465 5.535 1.00 0.00 C ATOM 1507 CD ARG A 98 8.678 0.081 6.963 1.00 0.00 C ATOM 1508 NE ARG A 98 9.272 -0.944 7.867 1.00 0.00 N ATOM 1509 CZ ARG A 98 9.683 -0.603 9.058 1.00 0.00 C ATOM 1510 NH1 ARG A 98 9.570 0.634 9.458 1.00 0.00 N ATOM 1511 NH2 ARG A 98 10.205 -1.500 9.849 1.00 0.00 N ATOM 0 H ARG A 98 9.244 -3.067 4.991 1.00 0.00 H new ATOM 0 HA ARG A 98 9.247 -1.143 3.055 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.653 -1.190 5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.533 0.280 4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.098 0.232 4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.077 -1.405 5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.270 0.996 6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.674 0.340 7.299 1.00 0.00 H new ATOM 0 HE ARG A 98 9.357 -1.911 7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.160 1.334 8.840 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.891 0.900 10.389 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.292 -2.467 9.536 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.526 -1.234 10.780 1.00 0.00 H new ATOM 1525 N VAL A 99 12.221 -2.366 3.379 1.00 0.00 N ATOM 1526 CA VAL A 99 13.590 -2.447 2.794 1.00 0.00 C ATOM 1527 C VAL A 99 13.484 -3.035 1.387 1.00 0.00 C ATOM 1528 O VAL A 99 14.081 -2.540 0.451 1.00 0.00 O ATOM 1529 CB VAL A 99 14.472 -3.343 3.709 1.00 0.00 C ATOM 1530 CG1 VAL A 99 15.433 -4.219 2.878 1.00 0.00 C ATOM 1531 CG2 VAL A 99 15.304 -2.448 4.643 1.00 0.00 C ATOM 0 H VAL A 99 12.007 -3.105 4.048 1.00 0.00 H new ATOM 0 HA VAL A 99 14.048 -1.460 2.728 1.00 0.00 H new ATOM 0 HB VAL A 99 13.813 -3.995 4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.036 -4.833 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.856 -4.863 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.087 -3.580 2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.924 -3.071 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 99 15.941 -1.794 4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.637 -1.843 5.257 1.00 0.00 H new ATOM 1541 N GLN A 100 12.751 -4.090 1.233 1.00 0.00 N ATOM 1542 CA GLN A 100 12.631 -4.711 -0.095 1.00 0.00 C ATOM 1543 C GLN A 100 12.344 -3.666 -1.182 1.00 0.00 C ATOM 1544 O GLN A 100 13.043 -3.594 -2.173 1.00 0.00 O ATOM 1545 CB GLN A 100 11.489 -5.741 -0.067 1.00 0.00 C ATOM 1546 CG GLN A 100 11.760 -6.829 -1.098 1.00 0.00 C ATOM 1547 CD GLN A 100 12.170 -6.178 -2.426 1.00 0.00 C ATOM 1548 OE1 GLN A 100 13.246 -6.409 -2.933 1.00 0.00 O ATOM 1549 NE2 GLN A 100 11.350 -5.345 -3.007 1.00 0.00 N ATOM 0 H GLN A 100 12.227 -4.550 1.978 1.00 0.00 H new ATOM 0 HA GLN A 100 13.578 -5.195 -0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.405 -6.180 0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 100 10.539 -5.252 -0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.550 -7.492 -0.745 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.870 -7.442 -1.240 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.443 -5.146 -2.586 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.617 -4.893 -3.882 1.00 0.00 H new ATOM 1558 N ALA A 101 11.306 -2.885 -1.040 1.00 0.00 N ATOM 1559 CA ALA A 101 10.992 -1.896 -2.123 1.00 0.00 C ATOM 1560 C ALA A 101 11.880 -0.661 -1.987 1.00 0.00 C ATOM 1561 O ALA A 101 12.266 -0.068 -2.974 1.00 0.00 O ATOM 1562 CB ALA A 101 9.511 -1.514 -2.089 1.00 0.00 C ATOM 0 H ALA A 101 10.672 -2.884 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 101 11.197 -2.358 -3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.302 -0.796 -2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.902 -2.406 -2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.272 -1.068 -1.123 1.00 0.00 H new ATOM 1568 N ASN A 102 12.244 -0.276 -0.805 1.00 0.00 N ATOM 1569 CA ASN A 102 13.141 0.903 -0.685 1.00 0.00 C ATOM 1570 C ASN A 102 14.529 0.489 -1.181 1.00 0.00 C ATOM 1571 O ASN A 102 15.535 0.833 -0.593 1.00 0.00 O ATOM 1572 CB ASN A 102 13.233 1.350 0.775 1.00 0.00 C ATOM 1573 CG ASN A 102 11.865 1.847 1.246 1.00 0.00 C ATOM 1574 OD1 ASN A 102 11.776 2.793 2.003 1.00 0.00 O ATOM 1575 ND2 ASN A 102 10.786 1.244 0.826 1.00 0.00 N ATOM 0 H ASN A 102 11.967 -0.715 0.073 1.00 0.00 H new ATOM 0 HA ASN A 102 12.751 1.732 -1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 102 13.565 0.521 1.400 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.974 2.143 0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 102 9.869 1.567 1.133 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.860 0.450 0.190 1.00 0.00 H new ATOM 1582 N ASN A 103 14.588 -0.266 -2.259 1.00 0.00 N ATOM 1583 CA ASN A 103 15.904 -0.730 -2.800 1.00 0.00 C ATOM 1584 C ASN A 103 15.935 -0.532 -4.329 1.00 0.00 C ATOM 1585 O ASN A 103 15.573 -1.435 -5.056 1.00 0.00 O ATOM 1586 CB ASN A 103 16.055 -2.225 -2.502 1.00 0.00 C ATOM 1587 CG ASN A 103 16.268 -2.433 -1.000 1.00 0.00 C ATOM 1588 OD1 ASN A 103 16.316 -3.554 -0.533 1.00 0.00 O ATOM 1589 ND2 ASN A 103 16.398 -1.397 -0.219 1.00 0.00 N ATOM 0 H ASN A 103 13.774 -0.580 -2.787 1.00 0.00 H new ATOM 0 HA ASN A 103 16.710 -0.160 -2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.166 -2.763 -2.831 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.899 -2.633 -3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.540 -1.528 0.783 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.358 -0.456 -0.610 1.00 0.00 H new ATOM 1596 N PRO A 104 16.362 0.630 -4.792 1.00 0.00 N ATOM 1597 CA PRO A 104 16.422 0.900 -6.244 1.00 0.00 C ATOM 1598 C PRO A 104 17.264 -0.170 -6.953 1.00 0.00 C ATOM 1599 O PRO A 104 17.088 -0.424 -8.128 1.00 0.00 O ATOM 1600 CB PRO A 104 17.057 2.306 -6.359 1.00 0.00 C ATOM 1601 CG PRO A 104 17.118 2.901 -4.925 1.00 0.00 C ATOM 1602 CD PRO A 104 16.815 1.753 -3.938 1.00 0.00 C ATOM 0 HA PRO A 104 15.442 0.869 -6.720 1.00 0.00 H new ATOM 0 HB2 PRO A 104 18.055 2.243 -6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.464 2.943 -7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 104 18.101 3.328 -4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 104 16.392 3.706 -4.812 1.00 0.00 H new ATOM 0 HD2 PRO A 104 17.701 1.481 -3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 104 16.046 2.040 -3.221 1.00 0.00 H new ATOM 1610 N GLN A 105 18.168 -0.806 -6.260 1.00 0.00 N ATOM 1611 CA GLN A 105 18.993 -1.856 -6.923 1.00 0.00 C ATOM 1612 C GLN A 105 18.135 -3.107 -7.140 1.00 0.00 C ATOM 1613 O GLN A 105 18.461 -3.966 -7.934 1.00 0.00 O ATOM 1614 CB GLN A 105 20.196 -2.200 -6.042 1.00 0.00 C ATOM 1615 CG GLN A 105 19.718 -2.514 -4.624 1.00 0.00 C ATOM 1616 CD GLN A 105 20.904 -2.974 -3.774 1.00 0.00 C ATOM 1617 OE1 GLN A 105 21.824 -3.588 -4.277 1.00 0.00 O ATOM 1618 NE2 GLN A 105 20.922 -2.702 -2.498 1.00 0.00 N ATOM 0 H GLN A 105 18.370 -0.647 -5.273 1.00 0.00 H new ATOM 0 HA GLN A 105 19.351 -1.487 -7.884 1.00 0.00 H new ATOM 0 HB2 GLN A 105 20.729 -3.056 -6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.897 -1.366 -6.024 1.00 0.00 H new ATOM 0 HG2 GLN A 105 19.260 -1.630 -4.180 1.00 0.00 H new ATOM 0 HG3 GLN A 105 18.953 -3.290 -4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 105 20.150 -2.187 -2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 105 21.708 -3.005 -1.923 1.00 0.00 H new ATOM 1627 N GLN A 106 17.032 -3.209 -6.442 1.00 0.00 N ATOM 1628 CA GLN A 106 16.132 -4.394 -6.601 1.00 0.00 C ATOM 1629 C GLN A 106 14.677 -3.920 -6.542 1.00 0.00 C ATOM 1630 O GLN A 106 14.013 -4.048 -5.533 1.00 0.00 O ATOM 1631 CB GLN A 106 16.387 -5.388 -5.464 1.00 0.00 C ATOM 1632 CG GLN A 106 17.740 -6.074 -5.669 1.00 0.00 C ATOM 1633 CD GLN A 106 17.664 -7.005 -6.880 1.00 0.00 C ATOM 1634 OE1 GLN A 106 18.330 -6.786 -7.872 1.00 0.00 O ATOM 1635 NE2 GLN A 106 16.875 -8.044 -6.840 1.00 0.00 N ATOM 0 H GLN A 106 16.713 -2.517 -5.763 1.00 0.00 H new ATOM 0 HA GLN A 106 16.328 -4.881 -7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.373 -4.869 -4.505 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.592 -6.133 -5.435 1.00 0.00 H new ATOM 0 HG2 GLN A 106 18.519 -5.327 -5.820 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.011 -6.641 -4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 106 16.316 -8.228 -6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 106 16.818 -8.672 -7.642 1.00 0.00 H new ATOM 1644 N GLN A 107 14.182 -3.357 -7.614 1.00 0.00 N ATOM 1645 CA GLN A 107 12.774 -2.851 -7.620 1.00 0.00 C ATOM 1646 C GLN A 107 11.811 -3.941 -8.125 1.00 0.00 C ATOM 1647 O GLN A 107 10.609 -3.771 -8.109 1.00 0.00 O ATOM 1648 CB GLN A 107 12.682 -1.632 -8.540 1.00 0.00 C ATOM 1649 CG GLN A 107 13.151 -2.013 -9.946 1.00 0.00 C ATOM 1650 CD GLN A 107 13.137 -0.773 -10.842 1.00 0.00 C ATOM 1651 OE1 GLN A 107 12.916 0.326 -10.374 1.00 0.00 O ATOM 1652 NE2 GLN A 107 13.365 -0.904 -12.120 1.00 0.00 N ATOM 0 H GLN A 107 14.692 -3.225 -8.487 1.00 0.00 H new ATOM 0 HA GLN A 107 12.493 -2.577 -6.603 1.00 0.00 H new ATOM 0 HB2 GLN A 107 11.656 -1.267 -8.575 1.00 0.00 H new ATOM 0 HB3 GLN A 107 13.296 -0.821 -8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 107 14.156 -2.433 -9.904 1.00 0.00 H new ATOM 0 HG3 GLN A 107 12.501 -2.783 -10.362 1.00 0.00 H new ATOM 0 HE21 GLN A 107 13.551 -1.827 -12.513 1.00 0.00 H new ATOM 0 HE22 GLN A 107 13.358 -0.084 -12.726 1.00 0.00 H new ATOM 1661 N GLY A 108 12.311 -5.060 -8.574 1.00 0.00 N ATOM 1662 CA GLY A 108 11.384 -6.129 -9.061 1.00 0.00 C ATOM 1663 C GLY A 108 10.336 -6.395 -7.976 1.00 0.00 C ATOM 1664 O GLY A 108 9.169 -6.095 -8.129 1.00 0.00 O ATOM 0 H GLY A 108 13.305 -5.282 -8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.900 -5.818 -9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.940 -7.040 -9.282 1.00 0.00 H new ATOM 1668 N LEU A 109 10.766 -6.933 -6.872 1.00 0.00 N ATOM 1669 CA LEU A 109 9.847 -7.211 -5.733 1.00 0.00 C ATOM 1670 C LEU A 109 9.068 -5.941 -5.350 1.00 0.00 C ATOM 1671 O LEU A 109 8.228 -5.980 -4.480 1.00 0.00 O ATOM 1672 CB LEU A 109 10.688 -7.697 -4.543 1.00 0.00 C ATOM 1673 CG LEU A 109 10.800 -9.235 -4.504 1.00 0.00 C ATOM 1674 CD1 LEU A 109 9.567 -9.827 -3.810 1.00 0.00 C ATOM 1675 CD2 LEU A 109 10.946 -9.835 -5.917 1.00 0.00 C ATOM 0 H LEU A 109 11.737 -7.198 -6.706 1.00 0.00 H new ATOM 0 HA LEU A 109 9.124 -7.975 -6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.686 -7.262 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.241 -7.342 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 109 11.698 -9.490 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.650 -10.914 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.504 -9.444 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.669 -9.545 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.022 -10.920 -5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.075 -9.571 -6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.845 -9.439 -6.389 1.00 0.00 H new ATOM 1687 N ARG A 110 9.269 -4.843 -6.023 1.00 0.00 N ATOM 1688 CA ARG A 110 8.450 -3.628 -5.708 1.00 0.00 C ATOM 1689 C ARG A 110 7.193 -3.716 -6.563 1.00 0.00 C ATOM 1690 O ARG A 110 6.141 -4.041 -6.050 1.00 0.00 O ATOM 1691 CB ARG A 110 9.213 -2.333 -6.011 1.00 0.00 C ATOM 1692 CG ARG A 110 8.430 -1.128 -5.486 1.00 0.00 C ATOM 1693 CD ARG A 110 9.329 0.108 -5.535 1.00 0.00 C ATOM 1694 NE ARG A 110 8.557 1.309 -5.110 1.00 0.00 N ATOM 1695 CZ ARG A 110 9.186 2.413 -4.811 1.00 0.00 C ATOM 1696 NH1 ARG A 110 10.488 2.464 -4.893 1.00 0.00 N ATOM 1697 NH2 ARG A 110 8.515 3.466 -4.435 1.00 0.00 N ATOM 0 H ARG A 110 9.955 -4.729 -6.769 1.00 0.00 H new ATOM 0 HA ARG A 110 8.210 -3.602 -4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.199 -2.366 -5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.368 -2.236 -7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.536 -0.968 -6.089 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.097 -1.311 -4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 110 10.191 -0.032 -4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.713 0.250 -6.545 1.00 0.00 H new ATOM 0 HE ARG A 110 7.539 1.269 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 110 11.013 1.642 -5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 110 10.980 3.326 -4.660 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.498 3.428 -4.374 1.00 0.00 H new ATOM 0 HH22 ARG A 110 9.008 4.328 -4.202 1.00 0.00 H new ATOM 1711 N ARG A 111 7.257 -3.432 -7.839 1.00 0.00 N ATOM 1712 CA ARG A 111 6.011 -3.523 -8.672 1.00 0.00 C ATOM 1713 C ARG A 111 5.229 -4.792 -8.287 1.00 0.00 C ATOM 1714 O ARG A 111 4.021 -4.854 -8.418 1.00 0.00 O ATOM 1715 CB ARG A 111 6.356 -3.524 -10.171 1.00 0.00 C ATOM 1716 CG ARG A 111 7.498 -4.515 -10.477 1.00 0.00 C ATOM 1717 CD ARG A 111 6.997 -5.977 -10.473 1.00 0.00 C ATOM 1718 NE ARG A 111 7.557 -6.679 -11.664 1.00 0.00 N ATOM 1719 CZ ARG A 111 7.499 -7.981 -11.747 1.00 0.00 C ATOM 1720 NH1 ARG A 111 6.918 -8.669 -10.804 1.00 0.00 N ATOM 1721 NH2 ARG A 111 8.013 -8.593 -12.778 1.00 0.00 N ATOM 0 H ARG A 111 8.100 -3.146 -8.337 1.00 0.00 H new ATOM 0 HA ARG A 111 5.387 -2.650 -8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.473 -3.792 -10.751 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.648 -2.521 -10.481 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.933 -4.281 -11.449 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.290 -4.399 -9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.308 -6.480 -9.557 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.908 -6.003 -10.497 1.00 0.00 H new ATOM 0 HE ARG A 111 7.987 -6.140 -12.416 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.509 -8.190 -10.002 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.873 -9.686 -10.869 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.460 -8.055 -13.520 1.00 0.00 H new ATOM 0 HH22 ARG A 111 7.967 -9.610 -12.842 1.00 0.00 H new ATOM 1735 N GLU A 112 5.904 -5.786 -7.767 1.00 0.00 N ATOM 1736 CA GLU A 112 5.191 -7.023 -7.329 1.00 0.00 C ATOM 1737 C GLU A 112 4.652 -6.808 -5.911 1.00 0.00 C ATOM 1738 O GLU A 112 3.467 -6.921 -5.663 1.00 0.00 O ATOM 1739 CB GLU A 112 6.154 -8.212 -7.314 1.00 0.00 C ATOM 1740 CG GLU A 112 5.357 -9.508 -7.134 1.00 0.00 C ATOM 1741 CD GLU A 112 4.636 -9.849 -8.440 1.00 0.00 C ATOM 1742 OE1 GLU A 112 5.268 -10.425 -9.310 1.00 0.00 O ATOM 1743 OE2 GLU A 112 3.464 -9.528 -8.548 1.00 0.00 O ATOM 0 H GLU A 112 6.914 -5.794 -7.627 1.00 0.00 H new ATOM 0 HA GLU A 112 4.376 -7.230 -8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.721 -8.247 -8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.875 -8.100 -6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.025 -10.322 -6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.634 -9.394 -6.326 1.00 0.00 H new ATOM 1750 N TYR A 113 5.516 -6.498 -4.974 1.00 0.00 N ATOM 1751 CA TYR A 113 5.051 -6.277 -3.572 1.00 0.00 C ATOM 1752 C TYR A 113 3.849 -5.332 -3.589 1.00 0.00 C ATOM 1753 O TYR A 113 3.044 -5.324 -2.681 1.00 0.00 O ATOM 1754 CB TYR A 113 6.187 -5.669 -2.740 1.00 0.00 C ATOM 1755 CG TYR A 113 5.670 -5.240 -1.385 1.00 0.00 C ATOM 1756 CD1 TYR A 113 5.353 -6.205 -0.422 1.00 0.00 C ATOM 1757 CD2 TYR A 113 5.516 -3.880 -1.089 1.00 0.00 C ATOM 1758 CE1 TYR A 113 4.882 -5.811 0.836 1.00 0.00 C ATOM 1759 CE2 TYR A 113 5.044 -3.486 0.168 1.00 0.00 C ATOM 1760 CZ TYR A 113 4.727 -4.451 1.131 1.00 0.00 C ATOM 1761 OH TYR A 113 4.264 -4.062 2.371 1.00 0.00 O ATOM 0 H TYR A 113 6.520 -6.389 -5.121 1.00 0.00 H new ATOM 0 HA TYR A 113 4.759 -7.227 -3.125 1.00 0.00 H new ATOM 0 HB2 TYR A 113 6.988 -6.398 -2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 113 6.612 -4.812 -3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 113 5.472 -7.254 -0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 113 5.762 -3.135 -1.831 1.00 0.00 H new ATOM 0 HE1 TYR A 113 4.638 -6.556 1.579 1.00 0.00 H new ATOM 0 HE2 TYR A 113 4.924 -2.437 0.395 1.00 0.00 H new ATOM 0 HH TYR A 113 3.442 -3.539 2.264 1.00 0.00 H new ATOM 1771 N GLN A 114 3.703 -4.561 -4.633 1.00 0.00 N ATOM 1772 CA GLN A 114 2.536 -3.645 -4.728 1.00 0.00 C ATOM 1773 C GLN A 114 1.341 -4.474 -5.209 1.00 0.00 C ATOM 1774 O GLN A 114 0.226 -4.308 -4.754 1.00 0.00 O ATOM 1775 CB GLN A 114 2.846 -2.517 -5.738 1.00 0.00 C ATOM 1776 CG GLN A 114 3.340 -1.262 -5.004 1.00 0.00 C ATOM 1777 CD GLN A 114 4.576 -1.603 -4.171 1.00 0.00 C ATOM 1778 OE1 GLN A 114 4.564 -1.464 -2.964 1.00 0.00 O ATOM 1779 NE2 GLN A 114 5.650 -2.044 -4.766 1.00 0.00 N ATOM 0 H GLN A 114 4.345 -4.528 -5.425 1.00 0.00 H new ATOM 0 HA GLN A 114 2.317 -3.188 -3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 114 3.603 -2.853 -6.447 1.00 0.00 H new ATOM 0 HB3 GLN A 114 1.952 -2.280 -6.315 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.580 -0.479 -5.724 1.00 0.00 H new ATOM 0 HG3 GLN A 114 2.552 -0.872 -4.360 1.00 0.00 H new ATOM 0 HE21 GLN A 114 5.660 -2.161 -5.779 1.00 0.00 H new ATOM 0 HE22 GLN A 114 6.479 -2.272 -4.218 1.00 0.00 H new ATOM 1788 N GLN A 115 1.580 -5.376 -6.124 1.00 0.00 N ATOM 1789 CA GLN A 115 0.481 -6.234 -6.639 1.00 0.00 C ATOM 1790 C GLN A 115 -0.131 -7.017 -5.476 1.00 0.00 C ATOM 1791 O GLN A 115 -1.321 -7.260 -5.436 1.00 0.00 O ATOM 1792 CB GLN A 115 1.048 -7.205 -7.673 1.00 0.00 C ATOM 1793 CG GLN A 115 -0.100 -7.895 -8.403 1.00 0.00 C ATOM 1794 CD GLN A 115 -0.784 -6.898 -9.340 1.00 0.00 C ATOM 1795 OE1 GLN A 115 -0.186 -6.430 -10.288 1.00 0.00 O ATOM 1796 NE2 GLN A 115 -2.021 -6.551 -9.113 1.00 0.00 N ATOM 0 H GLN A 115 2.496 -5.554 -6.537 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.288 -5.617 -7.104 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.677 -6.670 -8.385 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.680 -7.946 -7.184 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.276 -8.745 -8.972 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -0.819 -8.286 -7.683 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -2.523 -6.944 -8.317 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -2.486 -5.887 -9.732 1.00 0.00 H new ATOM 1805 N LEU A 116 0.670 -7.386 -4.511 1.00 0.00 N ATOM 1806 CA LEU A 116 0.130 -8.121 -3.334 1.00 0.00 C ATOM 1807 C LEU A 116 -0.430 -7.088 -2.359 1.00 0.00 C ATOM 1808 O LEU A 116 -1.231 -7.389 -1.494 1.00 0.00 O ATOM 1809 CB LEU A 116 1.249 -8.920 -2.657 1.00 0.00 C ATOM 1810 CG LEU A 116 2.082 -9.642 -3.720 1.00 0.00 C ATOM 1811 CD1 LEU A 116 3.154 -10.493 -3.036 1.00 0.00 C ATOM 1812 CD2 LEU A 116 1.172 -10.545 -4.558 1.00 0.00 C ATOM 0 H LEU A 116 1.674 -7.209 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.649 -8.817 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.884 -8.253 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.823 -9.643 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 116 2.559 -8.907 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.747 -11.007 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.803 -9.851 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.676 -11.228 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.766 -11.058 -5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.694 -11.280 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.408 -9.940 -5.046 1.00 0.00 H new ATOM 1824 N TRP A 117 -0.022 -5.860 -2.520 1.00 0.00 N ATOM 1825 CA TRP A 117 -0.521 -4.771 -1.642 1.00 0.00 C ATOM 1826 C TRP A 117 -1.912 -4.346 -2.123 1.00 0.00 C ATOM 1827 O TRP A 117 -2.808 -4.095 -1.335 1.00 0.00 O ATOM 1828 CB TRP A 117 0.439 -3.580 -1.734 1.00 0.00 C ATOM 1829 CG TRP A 117 0.192 -2.641 -0.595 1.00 0.00 C ATOM 1830 CD1 TRP A 117 0.778 -2.724 0.621 1.00 0.00 C ATOM 1831 CD2 TRP A 117 -0.690 -1.484 -0.547 1.00 0.00 C ATOM 1832 NE1 TRP A 117 0.311 -1.691 1.413 1.00 0.00 N ATOM 1833 CE2 TRP A 117 -0.596 -0.899 0.738 1.00 0.00 C ATOM 1834 CE3 TRP A 117 -1.555 -0.892 -1.484 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 -1.334 0.234 1.080 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 -2.299 0.249 -1.143 1.00 0.00 C ATOM 1837 CH2 TRP A 117 -2.189 0.811 0.137 1.00 0.00 C ATOM 0 H TRP A 117 0.645 -5.563 -3.233 1.00 0.00 H new ATOM 0 HA TRP A 117 -0.579 -5.115 -0.609 1.00 0.00 H new ATOM 0 HB2 TRP A 117 1.471 -3.930 -1.711 1.00 0.00 H new ATOM 0 HB3 TRP A 117 0.299 -3.061 -2.682 1.00 0.00 H new ATOM 0 HD1 TRP A 117 1.493 -3.474 0.924 1.00 0.00 H new ATOM 0 HE1 TRP A 117 0.601 -1.534 2.378 1.00 0.00 H new ATOM 0 HE3 TRP A 117 -1.648 -1.318 -2.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 -1.245 0.663 2.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 -2.960 0.696 -1.871 1.00 0.00 H new ATOM 0 HH2 TRP A 117 -2.764 1.688 0.394 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.123 -4.311 -3.413 1.00 0.00 N ATOM 1849 CA LEU A 118 -3.464 -3.944 -3.932 1.00 0.00 C ATOM 1850 C LEU A 118 -4.433 -5.080 -3.612 1.00 0.00 C ATOM 1851 O LEU A 118 -5.583 -4.838 -3.311 1.00 0.00 O ATOM 1852 CB LEU A 118 -3.394 -3.679 -5.439 1.00 0.00 C ATOM 1853 CG LEU A 118 -2.684 -2.333 -5.691 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -2.310 -2.230 -7.174 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -3.598 -1.147 -5.303 1.00 0.00 C ATOM 0 H LEU A 118 -1.423 -4.521 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.816 -3.028 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.855 -4.485 -5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.398 -3.658 -5.863 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.786 -2.290 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.808 -1.280 -7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -1.643 -3.050 -7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -3.213 -2.286 -7.782 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.075 -0.209 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.509 -1.180 -5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.854 -1.216 -4.246 1.00 0.00 H new ATOM 1867 N ALA A 119 -3.986 -6.309 -3.583 1.00 0.00 N ATOM 1868 CA ALA A 119 -4.924 -7.391 -3.174 1.00 0.00 C ATOM 1869 C ALA A 119 -5.382 -7.028 -1.765 1.00 0.00 C ATOM 1870 O ALA A 119 -6.504 -6.598 -1.588 1.00 0.00 O ATOM 1871 CB ALA A 119 -4.230 -8.755 -3.189 1.00 0.00 C ATOM 0 H ALA A 119 -3.038 -6.603 -3.818 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.766 -7.470 -3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.938 -9.527 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.869 -8.968 -4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.388 -8.743 -2.496 1.00 0.00 H new ATOM 1877 N ALA A 120 -4.568 -7.193 -0.759 1.00 0.00 N ATOM 1878 CA ALA A 120 -5.023 -6.828 0.616 1.00 0.00 C ATOM 1879 C ALA A 120 -5.707 -5.450 0.626 1.00 0.00 C ATOM 1880 O ALA A 120 -6.245 -5.062 1.634 1.00 0.00 O ATOM 1881 CB ALA A 120 -3.828 -6.782 1.566 1.00 0.00 C ATOM 0 H ALA A 120 -3.619 -7.560 -0.825 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.737 -7.585 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.169 -6.515 2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.348 -7.760 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.113 -6.038 1.216 1.00 0.00 H new ATOM 1887 N PHE A 121 -5.718 -4.718 -0.476 1.00 0.00 N ATOM 1888 CA PHE A 121 -6.418 -3.383 -0.502 1.00 0.00 C ATOM 1889 C PHE A 121 -7.689 -3.484 -1.376 1.00 0.00 C ATOM 1890 O PHE A 121 -8.618 -2.718 -1.221 1.00 0.00 O ATOM 1891 CB PHE A 121 -5.481 -2.306 -1.080 1.00 0.00 C ATOM 1892 CG PHE A 121 -5.854 -0.944 -0.535 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -6.891 -0.213 -1.127 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -5.161 -0.416 0.560 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -7.234 1.047 -0.623 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -5.505 0.844 1.064 1.00 0.00 C ATOM 1897 CZ PHE A 121 -6.541 1.575 0.472 1.00 0.00 C ATOM 0 H PHE A 121 -5.274 -4.988 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.694 -3.106 0.515 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.447 -2.538 -0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -5.547 -2.301 -2.168 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.426 -0.621 -1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -4.361 -0.980 1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.034 1.612 -1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.971 1.252 1.910 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.806 2.547 0.860 1.00 0.00 H new ATOM 1907 N ALA A 122 -7.733 -4.424 -2.294 1.00 0.00 N ATOM 1908 CA ALA A 122 -8.939 -4.580 -3.182 1.00 0.00 C ATOM 1909 C ALA A 122 -9.800 -5.738 -2.678 1.00 0.00 C ATOM 1910 O ALA A 122 -11.002 -5.727 -2.839 1.00 0.00 O ATOM 1911 CB ALA A 122 -8.497 -4.825 -4.634 1.00 0.00 C ATOM 0 H ALA A 122 -6.984 -5.094 -2.469 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.530 -3.665 -3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.376 -4.937 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -7.904 -3.979 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -7.897 -5.733 -4.683 1.00 0.00 H new ATOM 1917 N ALA A 123 -9.228 -6.702 -2.031 1.00 0.00 N ATOM 1918 CA ALA A 123 -10.063 -7.800 -1.475 1.00 0.00 C ATOM 1919 C ALA A 123 -10.468 -7.352 -0.077 1.00 0.00 C ATOM 1920 O ALA A 123 -10.799 -8.143 0.779 1.00 0.00 O ATOM 1921 CB ALA A 123 -9.252 -9.096 -1.401 1.00 0.00 C ATOM 0 H ALA A 123 -8.225 -6.782 -1.861 1.00 0.00 H new ATOM 0 HA ALA A 123 -10.934 -7.996 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -9.875 -9.892 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -8.918 -9.374 -2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -8.385 -8.947 -0.757 1.00 0.00 H new ATOM 1927 N LEU A 124 -10.380 -6.065 0.163 1.00 0.00 N ATOM 1928 CA LEU A 124 -10.688 -5.533 1.512 1.00 0.00 C ATOM 1929 C LEU A 124 -12.163 -5.775 1.922 1.00 0.00 C ATOM 1930 O LEU A 124 -12.419 -6.184 3.038 1.00 0.00 O ATOM 1931 CB LEU A 124 -10.398 -4.008 1.545 1.00 0.00 C ATOM 1932 CG LEU A 124 -9.085 -3.719 2.289 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -8.662 -2.261 2.061 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -9.251 -3.981 3.800 1.00 0.00 C ATOM 0 H LEU A 124 -10.106 -5.364 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 124 -10.054 -6.064 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -10.337 -3.623 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -11.221 -3.487 2.034 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.314 -4.384 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.730 -2.065 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.515 -2.087 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.439 -1.594 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -8.311 -3.771 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -10.033 -3.334 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.526 -5.023 3.960 1.00 0.00 H new ATOM 1946 N PRO A 125 -13.108 -5.443 1.031 1.00 0.00 N ATOM 1947 CA PRO A 125 -14.542 -5.545 1.348 1.00 0.00 C ATOM 1948 C PRO A 125 -14.829 -6.832 2.079 1.00 0.00 C ATOM 1949 O PRO A 125 -15.201 -6.826 3.236 1.00 0.00 O ATOM 1950 CB PRO A 125 -15.267 -5.448 -0.007 1.00 0.00 C ATOM 1951 CG PRO A 125 -14.227 -4.923 -1.031 1.00 0.00 C ATOM 1952 CD PRO A 125 -12.842 -4.985 -0.353 1.00 0.00 C ATOM 0 HA PRO A 125 -14.885 -4.755 2.016 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -15.652 -6.421 -0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -16.121 -4.774 0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.239 -5.530 -1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.463 -3.902 -1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.178 -5.674 -0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.357 -4.009 -0.359 1.00 0.00 H new ATOM 1960 N GLY A 126 -14.656 -7.933 1.430 1.00 0.00 N ATOM 1961 CA GLY A 126 -14.918 -9.224 2.104 1.00 0.00 C ATOM 1962 C GLY A 126 -13.620 -9.765 2.693 1.00 0.00 C ATOM 1963 O GLY A 126 -13.144 -10.807 2.292 1.00 0.00 O ATOM 0 H GLY A 126 -14.344 -8.000 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.659 -9.091 2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -15.333 -9.939 1.394 1.00 0.00 H new ATOM 1967 N SER A 127 -13.102 -9.113 3.721 1.00 0.00 N ATOM 1968 CA SER A 127 -11.887 -9.672 4.408 1.00 0.00 C ATOM 1969 C SER A 127 -11.158 -8.678 5.344 1.00 0.00 C ATOM 1970 O SER A 127 -10.284 -9.105 6.075 1.00 0.00 O ATOM 1971 CB SER A 127 -10.895 -10.243 3.378 1.00 0.00 C ATOM 1972 OG SER A 127 -11.142 -11.634 3.218 1.00 0.00 O ATOM 0 H SER A 127 -13.461 -8.238 4.104 1.00 0.00 H new ATOM 0 HA SER A 127 -12.266 -10.466 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.006 -9.729 2.423 1.00 0.00 H new ATOM 0 HB3 SER A 127 -9.870 -10.079 3.711 1.00 0.00 H new ATOM 0 HG SER A 127 -12.065 -11.770 2.919 1.00 0.00 H new ATOM 1978 N ALA A 128 -11.454 -7.393 5.383 1.00 0.00 N ATOM 1979 CA ALA A 128 -10.663 -6.553 6.351 1.00 0.00 C ATOM 1980 C ALA A 128 -11.047 -5.050 6.340 1.00 0.00 C ATOM 1981 O ALA A 128 -10.204 -4.186 6.229 1.00 0.00 O ATOM 1982 CB ALA A 128 -9.160 -6.747 6.036 1.00 0.00 C ATOM 0 H ALA A 128 -12.161 -6.914 4.826 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.898 -6.891 7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -8.564 -6.148 6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -8.897 -7.799 6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.959 -6.431 5.012 1.00 0.00 H new ATOM 1988 N LYS A 129 -12.303 -4.726 6.481 1.00 0.00 N ATOM 1989 CA LYS A 129 -12.680 -3.273 6.506 1.00 0.00 C ATOM 1990 C LYS A 129 -14.022 -3.044 7.224 1.00 0.00 C ATOM 1991 O LYS A 129 -14.288 -3.573 8.285 1.00 0.00 O ATOM 1992 CB LYS A 129 -12.767 -2.748 5.061 1.00 0.00 C ATOM 1993 CG LYS A 129 -13.859 -3.472 4.243 1.00 0.00 C ATOM 1994 CD LYS A 129 -14.749 -2.439 3.514 1.00 0.00 C ATOM 1995 CE LYS A 129 -13.905 -1.579 2.545 1.00 0.00 C ATOM 1996 NZ LYS A 129 -14.362 -1.826 1.149 1.00 0.00 N ATOM 0 H LYS A 129 -13.075 -5.385 6.579 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.913 -2.731 7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -12.976 -1.678 5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -11.802 -2.877 4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -13.397 -4.142 3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -14.470 -4.089 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -15.535 -2.954 2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -15.242 -1.796 4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -14.008 -0.523 2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -12.848 -1.828 2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -13.776 -1.276 0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -14.274 -2.839 0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -15.356 -1.536 1.053 1.00 0.00 H new ATOM 2010 N ASP A 130 -14.859 -2.251 6.612 1.00 0.00 N ATOM 2011 CA ASP A 130 -16.209 -1.935 7.171 1.00 0.00 C ATOM 2012 C ASP A 130 -16.971 -1.050 6.162 1.00 0.00 C ATOM 2013 O ASP A 130 -16.962 0.158 6.293 1.00 0.00 O ATOM 2014 CB ASP A 130 -16.040 -1.165 8.483 1.00 0.00 C ATOM 2015 CG ASP A 130 -15.068 -0.003 8.273 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -13.872 -0.240 8.324 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -15.536 1.104 8.064 1.00 0.00 O ATOM 0 H ASP A 130 -14.659 -1.795 5.722 1.00 0.00 H new ATOM 0 HA ASP A 130 -16.762 -2.856 7.353 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -17.005 -0.789 8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -15.665 -1.830 9.261 1.00 0.00 H new ATOM 2022 N PRO A 131 -17.581 -1.662 5.162 1.00 0.00 N ATOM 2023 CA PRO A 131 -18.308 -0.926 4.109 1.00 0.00 C ATOM 2024 C PRO A 131 -19.775 -0.716 4.507 1.00 0.00 C ATOM 2025 O PRO A 131 -20.385 0.260 4.122 1.00 0.00 O ATOM 2026 CB PRO A 131 -18.244 -1.888 2.914 1.00 0.00 C ATOM 2027 CG PRO A 131 -18.172 -3.308 3.537 1.00 0.00 C ATOM 2028 CD PRO A 131 -17.603 -3.128 4.968 1.00 0.00 C ATOM 0 HA PRO A 131 -17.887 0.060 3.915 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -19.121 -1.782 2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -17.372 -1.686 2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -19.159 -3.770 3.566 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -17.532 -3.961 2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -18.230 -3.620 5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -16.605 -3.558 5.058 1.00 0.00 H new ATOM 2036 N SER A 132 -20.353 -1.669 5.206 1.00 0.00 N ATOM 2037 CA SER A 132 -21.809 -1.574 5.565 1.00 0.00 C ATOM 2038 C SER A 132 -22.606 -2.100 4.370 1.00 0.00 C ATOM 2039 O SER A 132 -23.583 -1.520 3.941 1.00 0.00 O ATOM 2040 CB SER A 132 -22.209 -0.116 5.859 1.00 0.00 C ATOM 2041 OG SER A 132 -22.652 0.508 4.661 1.00 0.00 O ATOM 0 H SER A 132 -19.880 -2.508 5.543 1.00 0.00 H new ATOM 0 HA SER A 132 -22.013 -2.158 6.463 1.00 0.00 H new ATOM 0 HB2 SER A 132 -23.000 -0.089 6.609 1.00 0.00 H new ATOM 0 HB3 SER A 132 -21.360 0.428 6.272 1.00 0.00 H new ATOM 0 HG SER A 132 -21.894 0.617 4.049 1.00 0.00 H new ATOM 2047 N TRP A 133 -22.176 -3.212 3.835 1.00 0.00 N ATOM 2048 CA TRP A 133 -22.867 -3.823 2.664 1.00 0.00 C ATOM 2049 C TRP A 133 -22.769 -2.877 1.467 1.00 0.00 C ATOM 2050 O TRP A 133 -23.465 -1.885 1.380 1.00 0.00 O ATOM 2051 CB TRP A 133 -24.334 -4.103 3.003 1.00 0.00 C ATOM 2052 CG TRP A 133 -24.431 -4.641 4.396 1.00 0.00 C ATOM 2053 CD1 TRP A 133 -24.681 -3.899 5.499 1.00 0.00 C ATOM 2054 CD2 TRP A 133 -24.287 -6.018 4.853 1.00 0.00 C ATOM 2055 NE1 TRP A 133 -24.699 -4.731 6.604 1.00 0.00 N ATOM 2056 CE2 TRP A 133 -24.461 -6.047 6.257 1.00 0.00 C ATOM 2057 CE3 TRP A 133 -24.025 -7.232 4.193 1.00 0.00 C ATOM 2058 CZ2 TRP A 133 -24.378 -7.237 6.980 1.00 0.00 C ATOM 2059 CZ3 TRP A 133 -23.940 -8.432 4.917 1.00 0.00 C ATOM 2060 CH2 TRP A 133 -24.116 -8.434 6.308 1.00 0.00 C ATOM 0 H TRP A 133 -21.362 -3.730 4.166 1.00 0.00 H new ATOM 0 HA TRP A 133 -22.386 -4.769 2.414 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -24.920 -3.188 2.914 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -24.751 -4.819 2.295 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -24.841 -2.831 5.514 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -24.867 -4.412 7.558 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -23.888 -7.241 3.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -24.515 -7.233 8.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -23.738 -9.358 4.400 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -24.049 -9.360 6.860 1.00 0.00 H new ATOM 2071 N ALA A 134 -21.895 -3.188 0.547 1.00 0.00 N ATOM 2072 CA ALA A 134 -21.717 -2.327 -0.655 1.00 0.00 C ATOM 2073 C ALA A 134 -20.661 -2.955 -1.567 1.00 0.00 C ATOM 2074 O ALA A 134 -19.486 -2.794 -1.279 1.00 0.00 O ATOM 2075 CB ALA A 134 -21.248 -0.937 -0.224 1.00 0.00 C ATOM 2076 OXT ALA A 134 -21.045 -3.587 -2.538 1.00 0.00 O ATOM 0 H ALA A 134 -21.292 -4.010 0.579 1.00 0.00 H new ATOM 0 HA ALA A 134 -22.664 -2.241 -1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -21.118 -0.308 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -21.992 -0.490 0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -20.299 -1.021 0.305 1.00 0.00 H new TER 2082 ALA A 134