USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 972 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 38 ASN : amide:sc= -0.0754 X(o=-0.81,f=-0.66) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -0.731 K(o=-0.81,f=-3.7!) USER MOD Single : A 1 GLY N :NH3+ -131:sc= -0.226 (180deg=-1.52!) USER MOD Single : A 4 ASN : amide:sc= -1.67 K(o=-1.7,f=-0.2) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 148:sc= -0.236 (180deg=-1.16) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 70:sc= 1.05 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 71:sc= 0.909 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -154:sc= 0 (180deg=-0.341) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -170:sc= -0.581 USER MOD Single : A 49 CYS SG : rot 84:sc= -0.0202 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -159:sc= 1.68 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -13.7! C(o=-14!,f=-12!) USER MOD Single : A 68 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.53) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.0169 X(o=0.017,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0316 K(o=-0.032,f=-1.2) USER MOD Single : A 83 ASN : amide:sc= -2.63! K(o=-2.6!,f=-0.83) USER MOD Single : A 91 GLN : amide:sc=-0.00855 X(o=-0.0085,f=0) USER MOD Single : A 95 THR OG1 : rot 171:sc= 0.00413 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0638 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0469 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 157:sc= -0.207 (180deg=-0.904) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.150 -18.836 -15.203 1.00 0.00 N ATOM 2 CA GLY A 1 -6.797 -18.455 -15.695 1.00 0.00 C ATOM 3 C GLY A 1 -6.048 -17.575 -14.711 1.00 0.00 C ATOM 4 O GLY A 1 -5.101 -18.029 -14.070 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.281 -19.863 -15.307 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.241 -18.575 -14.200 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.874 -18.337 -15.758 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.216 -19.357 -15.886 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.894 -17.931 -16.646 1.00 0.00 H new ATOM 10 N PRO A 2 -6.455 -16.300 -14.571 1.00 0.00 N ATOM 11 CA PRO A 2 -5.804 -15.362 -13.649 1.00 0.00 C ATOM 12 C PRO A 2 -6.072 -15.708 -12.188 1.00 0.00 C ATOM 13 O PRO A 2 -7.081 -16.333 -11.862 1.00 0.00 O ATOM 14 CB PRO A 2 -6.439 -14.017 -14.005 1.00 0.00 C ATOM 15 CG PRO A 2 -7.767 -14.365 -14.583 1.00 0.00 C ATOM 16 CD PRO A 2 -7.577 -15.675 -15.295 1.00 0.00 C ATOM 0 HA PRO A 2 -4.719 -15.376 -13.751 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.545 -13.384 -13.124 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.827 -13.468 -14.721 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.522 -14.451 -13.802 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.108 -13.592 -15.272 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.476 -16.290 -15.251 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.343 -15.529 -16.349 1.00 0.00 H new ATOM 24 N VAL A 3 -5.162 -15.295 -11.312 1.00 0.00 N ATOM 25 CA VAL A 3 -5.297 -15.560 -9.885 1.00 0.00 C ATOM 26 C VAL A 3 -5.385 -14.261 -9.090 1.00 0.00 C ATOM 27 O VAL A 3 -6.107 -14.180 -8.096 1.00 0.00 O ATOM 28 CB VAL A 3 -4.117 -16.394 -9.354 1.00 0.00 C ATOM 29 CG1 VAL A 3 -4.269 -17.852 -9.758 1.00 0.00 C ATOM 30 CG2 VAL A 3 -2.796 -15.831 -9.854 1.00 0.00 C ATOM 0 H VAL A 3 -4.322 -14.775 -11.566 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.220 -16.126 -9.755 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.120 -16.340 -8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.426 -18.426 -9.374 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.196 -18.249 -9.345 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.294 -17.928 -10.845 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.974 -16.434 -9.468 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.781 -15.852 -10.944 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.685 -14.803 -9.509 1.00 0.00 H new ATOM 40 N ASN A 4 -4.641 -13.251 -9.539 1.00 0.00 N ATOM 41 CA ASN A 4 -4.624 -11.947 -8.880 1.00 0.00 C ATOM 42 C ASN A 4 -4.019 -12.049 -7.478 1.00 0.00 C ATOM 43 O ASN A 4 -4.507 -12.807 -6.640 1.00 0.00 O ATOM 44 CB ASN A 4 -6.039 -11.368 -8.797 1.00 0.00 C ATOM 45 CG ASN A 4 -6.044 -9.852 -8.812 1.00 0.00 C ATOM 46 OD1 ASN A 4 -6.250 -9.230 -9.854 1.00 0.00 O ATOM 47 ND2 ASN A 4 -5.818 -9.248 -7.650 1.00 0.00 N ATOM 0 H ASN A 4 -4.040 -13.312 -10.361 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.003 -11.279 -9.477 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.630 -11.739 -9.634 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.521 -11.721 -7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.811 -8.229 -7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.652 -9.803 -6.811 1.00 0.00 H new ATOM 54 N PRO A 5 -2.943 -11.285 -7.201 1.00 0.00 N ATOM 55 CA PRO A 5 -2.279 -11.302 -5.891 1.00 0.00 C ATOM 56 C PRO A 5 -3.226 -10.934 -4.752 1.00 0.00 C ATOM 57 O PRO A 5 -3.145 -11.499 -3.660 1.00 0.00 O ATOM 58 CB PRO A 5 -1.177 -10.246 -6.027 1.00 0.00 C ATOM 59 CG PRO A 5 -0.955 -10.107 -7.494 1.00 0.00 C ATOM 60 CD PRO A 5 -2.289 -10.352 -8.136 1.00 0.00 C ATOM 0 HA PRO A 5 -1.906 -12.296 -5.644 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.481 -9.298 -5.582 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.265 -10.559 -5.518 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.580 -9.114 -7.740 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.214 -10.824 -7.847 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.858 -9.429 -8.249 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.184 -10.785 -9.131 1.00 0.00 H new ATOM 68 N ALA A 6 -4.122 -9.988 -5.013 1.00 0.00 N ATOM 69 CA ALA A 6 -5.080 -9.545 -4.007 1.00 0.00 C ATOM 70 C ALA A 6 -6.088 -10.642 -3.682 1.00 0.00 C ATOM 71 O ALA A 6 -6.465 -10.829 -2.524 1.00 0.00 O ATOM 72 CB ALA A 6 -5.796 -8.287 -4.478 1.00 0.00 C ATOM 0 H ALA A 6 -4.205 -9.514 -5.912 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.529 -9.317 -3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.508 -7.967 -3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.066 -7.495 -4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.327 -8.497 -5.407 1.00 0.00 H new ATOM 78 N GLU A 7 -6.527 -11.364 -4.709 1.00 0.00 N ATOM 79 CA GLU A 7 -7.493 -12.442 -4.530 1.00 0.00 C ATOM 80 C GLU A 7 -6.877 -13.612 -3.768 1.00 0.00 C ATOM 81 O GLU A 7 -7.443 -14.089 -2.784 1.00 0.00 O ATOM 82 CB GLU A 7 -8.012 -12.921 -5.887 1.00 0.00 C ATOM 83 CG GLU A 7 -9.492 -13.266 -5.885 1.00 0.00 C ATOM 84 CD GLU A 7 -10.003 -13.652 -7.259 1.00 0.00 C ATOM 85 OE1 GLU A 7 -10.435 -12.750 -8.007 1.00 0.00 O ATOM 86 OE2 GLU A 7 -9.970 -14.856 -7.587 1.00 0.00 O ATOM 0 H GLU A 7 -6.229 -11.222 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.326 -12.052 -3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.829 -12.145 -6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.443 -13.798 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.669 -14.088 -5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.060 -12.411 -5.517 1.00 0.00 H new ATOM 93 N ASN A 8 -5.719 -14.073 -4.232 1.00 0.00 N ATOM 94 CA ASN A 8 -5.024 -15.189 -3.596 1.00 0.00 C ATOM 95 C ASN A 8 -4.771 -14.905 -2.119 1.00 0.00 C ATOM 96 O ASN A 8 -4.858 -15.802 -1.279 1.00 0.00 O ATOM 97 CB ASN A 8 -3.698 -15.462 -4.309 1.00 0.00 C ATOM 98 CG ASN A 8 -3.488 -16.936 -4.594 1.00 0.00 C ATOM 99 OD1 ASN A 8 -4.042 -17.482 -5.547 1.00 0.00 O ATOM 100 ND2 ASN A 8 -2.682 -17.590 -3.764 1.00 0.00 N ATOM 0 H ASN A 8 -5.241 -13.690 -5.048 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.660 -16.071 -3.672 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.671 -14.906 -5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.876 -15.093 -3.696 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.502 -18.584 -3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.243 -17.098 -2.986 1.00 0.00 H new ATOM 107 N PHE A 9 -4.455 -13.653 -1.808 1.00 0.00 N ATOM 108 CA PHE A 9 -4.194 -13.251 -0.432 1.00 0.00 C ATOM 109 C PHE A 9 -5.488 -13.236 0.377 1.00 0.00 C ATOM 110 O PHE A 9 -5.534 -13.727 1.505 1.00 0.00 O ATOM 111 CB PHE A 9 -3.529 -11.868 -0.408 1.00 0.00 C ATOM 112 CG PHE A 9 -3.923 -11.013 0.765 1.00 0.00 C ATOM 113 CD1 PHE A 9 -3.448 -11.294 2.036 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.769 -9.928 0.595 1.00 0.00 C ATOM 115 CE1 PHE A 9 -3.807 -10.509 3.115 1.00 0.00 C ATOM 116 CE2 PHE A 9 -5.133 -9.141 1.671 1.00 0.00 C ATOM 117 CZ PHE A 9 -4.651 -9.431 2.932 1.00 0.00 C ATOM 0 H PHE A 9 -4.373 -12.899 -2.490 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.517 -13.975 0.022 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.447 -11.998 -0.401 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.781 -11.341 -1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.789 -12.137 2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.148 -9.695 -0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.428 -10.738 4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.794 -8.299 1.526 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.933 -8.816 3.774 1.00 0.00 H new ATOM 127 N ARG A 10 -6.535 -12.666 -0.211 1.00 0.00 N ATOM 128 CA ARG A 10 -7.833 -12.576 0.447 1.00 0.00 C ATOM 129 C ARG A 10 -8.381 -13.958 0.797 1.00 0.00 C ATOM 130 O ARG A 10 -8.946 -14.152 1.874 1.00 0.00 O ATOM 131 CB ARG A 10 -8.828 -11.837 -0.450 1.00 0.00 C ATOM 132 CG ARG A 10 -8.802 -10.328 -0.271 1.00 0.00 C ATOM 133 CD ARG A 10 -9.754 -9.637 -1.235 1.00 0.00 C ATOM 134 NE ARG A 10 -9.266 -9.677 -2.610 1.00 0.00 N ATOM 135 CZ ARG A 10 -10.058 -9.796 -3.672 1.00 0.00 C ATOM 136 NH1 ARG A 10 -11.371 -9.892 -3.515 1.00 0.00 N ATOM 137 NH2 ARG A 10 -9.537 -9.820 -4.890 1.00 0.00 N ATOM 0 H ARG A 10 -6.509 -12.258 -1.146 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.696 -12.021 1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.612 -12.075 -1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.834 -12.202 -0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.075 -10.077 0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.789 -9.959 -0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.732 -10.115 -1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.890 -8.600 -0.929 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.260 -9.610 -2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.775 -9.875 -2.579 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.977 -9.983 -4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.527 -9.747 -5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.146 -9.911 -5.703 1.00 0.00 H new ATOM 151 N VAL A 11 -8.212 -14.915 -0.111 1.00 0.00 N ATOM 152 CA VAL A 11 -8.707 -16.271 0.114 1.00 0.00 C ATOM 153 C VAL A 11 -7.832 -17.028 1.110 1.00 0.00 C ATOM 154 O VAL A 11 -8.342 -17.706 2.003 1.00 0.00 O ATOM 155 CB VAL A 11 -8.793 -17.074 -1.200 1.00 0.00 C ATOM 156 CG1 VAL A 11 -9.890 -16.516 -2.094 1.00 0.00 C ATOM 157 CG2 VAL A 11 -7.456 -17.074 -1.924 1.00 0.00 C ATOM 0 H VAL A 11 -7.739 -14.779 -1.004 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.710 -16.168 0.528 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.042 -18.106 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.937 -17.094 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.848 -16.579 -1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.673 -15.474 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.542 -17.647 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.169 -16.049 -2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.697 -17.527 -1.286 1.00 0.00 H new ATOM 167 N LEU A 12 -6.516 -16.917 0.949 1.00 0.00 N ATOM 168 CA LEU A 12 -5.577 -17.593 1.840 1.00 0.00 C ATOM 169 C LEU A 12 -5.847 -17.231 3.298 1.00 0.00 C ATOM 170 O LEU A 12 -5.648 -18.048 4.197 1.00 0.00 O ATOM 171 CB LEU A 12 -4.137 -17.227 1.471 1.00 0.00 C ATOM 172 CG LEU A 12 -3.311 -18.371 0.879 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.905 -18.052 -0.551 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.083 -18.637 1.736 1.00 0.00 C ATOM 0 H LEU A 12 -6.076 -16.367 0.211 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.715 -18.668 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.159 -16.406 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.632 -16.858 2.363 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.926 -19.271 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.318 -18.877 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.798 -17.909 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.307 -17.141 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.506 -19.453 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.467 -17.739 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.395 -18.910 2.744 1.00 0.00 H new ATOM 186 N VAL A 13 -6.300 -16.004 3.525 1.00 0.00 N ATOM 187 CA VAL A 13 -6.597 -15.540 4.876 1.00 0.00 C ATOM 188 C VAL A 13 -8.075 -15.721 5.203 1.00 0.00 C ATOM 189 O VAL A 13 -8.491 -15.576 6.354 1.00 0.00 O ATOM 190 CB VAL A 13 -6.215 -14.058 5.067 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.724 -13.857 4.845 1.00 0.00 C ATOM 192 CG2 VAL A 13 -7.026 -13.168 4.134 1.00 0.00 C ATOM 0 H VAL A 13 -6.470 -15.313 2.794 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.998 -16.146 5.555 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.448 -13.774 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.474 -12.805 4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.165 -14.461 5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.463 -14.161 3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.741 -12.127 4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.830 -13.451 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.088 -13.288 4.348 1.00 0.00 H new ATOM 202 N LYS A 14 -8.863 -16.040 4.182 1.00 0.00 N ATOM 203 CA LYS A 14 -10.300 -16.228 4.346 1.00 0.00 C ATOM 204 C LYS A 14 -10.633 -17.516 5.096 1.00 0.00 C ATOM 205 O LYS A 14 -11.645 -17.583 5.793 1.00 0.00 O ATOM 206 CB LYS A 14 -10.987 -16.240 2.980 1.00 0.00 C ATOM 207 CG LYS A 14 -12.219 -15.352 2.909 1.00 0.00 C ATOM 208 CD LYS A 14 -12.926 -15.486 1.570 1.00 0.00 C ATOM 209 CE LYS A 14 -13.748 -14.249 1.247 1.00 0.00 C ATOM 210 NZ LYS A 14 -14.377 -14.335 -0.099 1.00 0.00 N ATOM 0 H LYS A 14 -8.529 -16.174 3.228 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.668 -15.392 4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.274 -15.918 2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.273 -17.263 2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.906 -15.617 3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.929 -14.313 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.189 -15.650 0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.575 -16.361 1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.523 -14.121 2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.109 -13.367 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.928 -13.472 -0.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.636 -14.431 -0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.006 -15.162 -0.136 1.00 0.00 H new ATOM 224 N GLN A 15 -9.790 -18.539 4.960 1.00 0.00 N ATOM 225 CA GLN A 15 -10.049 -19.810 5.631 1.00 0.00 C ATOM 226 C GLN A 15 -9.116 -20.035 6.815 1.00 0.00 C ATOM 227 O GLN A 15 -9.582 -20.310 7.922 1.00 0.00 O ATOM 228 CB GLN A 15 -9.901 -20.970 4.643 1.00 0.00 C ATOM 229 CG GLN A 15 -8.907 -20.700 3.524 1.00 0.00 C ATOM 230 CD GLN A 15 -9.048 -21.675 2.371 1.00 0.00 C ATOM 231 OE1 GLN A 15 -8.436 -22.742 2.367 1.00 0.00 O ATOM 232 NE2 GLN A 15 -9.860 -21.310 1.384 1.00 0.00 N ATOM 0 H GLN A 15 -8.937 -18.514 4.402 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.071 -19.770 6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.588 -21.861 5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.875 -21.189 4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.048 -19.684 3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.894 -20.757 3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.348 -20.415 1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.995 -21.925 0.581 1.00 0.00 H new ATOM 241 N LYS A 16 -7.808 -19.888 6.580 1.00 0.00 N ATOM 242 CA LYS A 16 -6.794 -20.076 7.621 1.00 0.00 C ATOM 243 C LYS A 16 -5.448 -20.397 6.982 1.00 0.00 C ATOM 244 O LYS A 16 -4.402 -20.235 7.609 1.00 0.00 O ATOM 245 CB LYS A 16 -7.196 -21.209 8.581 1.00 0.00 C ATOM 246 CG LYS A 16 -6.049 -21.756 9.417 1.00 0.00 C ATOM 247 CD LYS A 16 -5.554 -20.732 10.426 1.00 0.00 C ATOM 248 CE LYS A 16 -5.723 -21.228 11.853 1.00 0.00 C ATOM 249 NZ LYS A 16 -5.722 -20.108 12.835 1.00 0.00 N ATOM 0 H LYS A 16 -7.425 -19.637 5.669 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.715 -19.151 8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.976 -20.844 9.249 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.629 -22.024 8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.376 -22.655 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.228 -22.049 8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.503 -20.513 10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.102 -19.799 10.297 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.658 -21.783 11.936 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.918 -21.922 12.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.840 -20.489 13.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.820 -19.594 12.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.506 -19.459 12.622 1.00 0.00 H new ATOM 263 N LYS A 17 -5.504 -20.852 5.727 1.00 0.00 N ATOM 264 CA LYS A 17 -4.315 -21.223 4.961 1.00 0.00 C ATOM 265 C LYS A 17 -3.039 -20.633 5.558 1.00 0.00 C ATOM 266 O LYS A 17 -2.164 -21.362 6.023 1.00 0.00 O ATOM 267 CB LYS A 17 -4.461 -20.780 3.505 1.00 0.00 C ATOM 268 CG LYS A 17 -4.799 -21.919 2.555 1.00 0.00 C ATOM 269 CD LYS A 17 -3.662 -22.189 1.583 1.00 0.00 C ATOM 270 CE LYS A 17 -3.256 -23.653 1.594 1.00 0.00 C ATOM 271 NZ LYS A 17 -4.435 -24.559 1.509 1.00 0.00 N ATOM 0 H LYS A 17 -6.378 -20.973 5.214 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.230 -22.309 5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.240 -20.021 3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.532 -20.311 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.011 -22.822 3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.704 -21.674 1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.967 -21.902 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.804 -21.570 1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.586 -23.850 0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.698 -23.868 2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.171 -25.425 0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.752 -24.807 2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.206 -24.079 1.003 1.00 0.00 H new ATOM 285 N ALA A 18 -2.943 -19.309 5.538 1.00 0.00 N ATOM 286 CA ALA A 18 -1.783 -18.615 6.084 1.00 0.00 C ATOM 287 C ALA A 18 -2.219 -17.401 6.891 1.00 0.00 C ATOM 288 O ALA A 18 -3.349 -16.932 6.757 1.00 0.00 O ATOM 289 CB ALA A 18 -0.838 -18.201 4.967 1.00 0.00 C ATOM 0 H ALA A 18 -3.657 -18.693 5.148 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.254 -19.298 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.023 -17.684 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.500 -19.087 4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.358 -17.535 4.279 1.00 0.00 H new ATOM 295 N SER A 19 -1.324 -16.890 7.732 1.00 0.00 N ATOM 296 CA SER A 19 -1.634 -15.727 8.554 1.00 0.00 C ATOM 297 C SER A 19 -1.333 -14.440 7.797 1.00 0.00 C ATOM 298 O SER A 19 -0.750 -14.469 6.713 1.00 0.00 O ATOM 299 CB SER A 19 -0.834 -15.769 9.857 1.00 0.00 C ATOM 300 OG SER A 19 -1.249 -16.847 10.677 1.00 0.00 O ATOM 0 H SER A 19 -0.383 -17.262 7.861 1.00 0.00 H new ATOM 0 HA SER A 19 -2.697 -15.749 8.792 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.228 -15.867 9.632 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.960 -14.829 10.395 1.00 0.00 H new ATOM 0 HG SER A 19 -0.721 -16.852 11.503 1.00 0.00 H new ATOM 306 N PHE A 20 -1.735 -13.313 8.375 1.00 0.00 N ATOM 307 CA PHE A 20 -1.508 -12.015 7.754 1.00 0.00 C ATOM 308 C PHE A 20 -0.025 -11.784 7.482 1.00 0.00 C ATOM 309 O PHE A 20 0.351 -11.342 6.402 1.00 0.00 O ATOM 310 CB PHE A 20 -2.055 -10.898 8.645 1.00 0.00 C ATOM 311 CG PHE A 20 -2.676 -9.767 7.876 1.00 0.00 C ATOM 312 CD1 PHE A 20 -3.963 -9.876 7.376 1.00 0.00 C ATOM 313 CD2 PHE A 20 -1.970 -8.595 7.653 1.00 0.00 C ATOM 314 CE1 PHE A 20 -4.537 -8.837 6.668 1.00 0.00 C ATOM 315 CE2 PHE A 20 -2.539 -7.553 6.946 1.00 0.00 C ATOM 316 CZ PHE A 20 -3.824 -7.674 6.454 1.00 0.00 C ATOM 0 H PHE A 20 -2.219 -13.273 9.272 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.035 -12.004 6.800 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.798 -11.317 9.324 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.246 -10.506 9.261 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.525 -10.784 7.541 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.965 -8.495 8.036 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.541 -8.935 6.283 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.979 -6.645 6.778 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.271 -6.860 5.903 1.00 0.00 H new ATOM 326 N GLU A 21 0.810 -12.076 8.476 1.00 0.00 N ATOM 327 CA GLU A 21 2.258 -11.900 8.353 1.00 0.00 C ATOM 328 C GLU A 21 2.807 -12.496 7.056 1.00 0.00 C ATOM 329 O GLU A 21 3.322 -11.774 6.201 1.00 0.00 O ATOM 330 CB GLU A 21 2.968 -12.533 9.551 1.00 0.00 C ATOM 331 CG GLU A 21 4.190 -11.758 10.013 1.00 0.00 C ATOM 332 CD GLU A 21 4.866 -12.397 11.211 1.00 0.00 C ATOM 333 OE1 GLU A 21 4.436 -12.123 12.352 1.00 0.00 O ATOM 334 OE2 GLU A 21 5.826 -13.170 11.009 1.00 0.00 O ATOM 0 H GLU A 21 0.508 -12.438 9.381 1.00 0.00 H new ATOM 0 HA GLU A 21 2.451 -10.827 8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.264 -12.613 10.379 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.269 -13.548 9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.904 -11.688 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.896 -10.740 10.267 1.00 0.00 H new ATOM 341 N GLU A 22 2.703 -13.817 6.918 1.00 0.00 N ATOM 342 CA GLU A 22 3.203 -14.508 5.731 1.00 0.00 C ATOM 343 C GLU A 22 2.639 -13.905 4.447 1.00 0.00 C ATOM 344 O GLU A 22 3.388 -13.581 3.521 1.00 0.00 O ATOM 345 CB GLU A 22 2.853 -15.996 5.801 1.00 0.00 C ATOM 346 CG GLU A 22 4.048 -16.889 6.090 1.00 0.00 C ATOM 347 CD GLU A 22 3.706 -18.364 6.012 1.00 0.00 C ATOM 348 OE1 GLU A 22 2.855 -18.819 6.805 1.00 0.00 O ATOM 349 OE2 GLU A 22 4.289 -19.065 5.159 1.00 0.00 O ATOM 0 H GLU A 22 2.277 -14.430 7.613 1.00 0.00 H new ATOM 0 HA GLU A 22 4.286 -14.387 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.101 -16.148 6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.403 -16.300 4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.844 -16.666 5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.435 -16.662 7.083 1.00 0.00 H new ATOM 356 N ALA A 23 1.319 -13.757 4.396 1.00 0.00 N ATOM 357 CA ALA A 23 0.656 -13.199 3.221 1.00 0.00 C ATOM 358 C ALA A 23 1.099 -11.762 2.971 1.00 0.00 C ATOM 359 O ALA A 23 1.159 -11.309 1.826 1.00 0.00 O ATOM 360 CB ALA A 23 -0.853 -13.267 3.391 1.00 0.00 C ATOM 0 H ALA A 23 0.687 -14.015 5.154 1.00 0.00 H new ATOM 0 HA ALA A 23 0.942 -13.794 2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.338 -12.848 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.159 -14.306 3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.146 -12.696 4.272 1.00 0.00 H new ATOM 366 N SER A 24 1.416 -11.054 4.049 1.00 0.00 N ATOM 367 CA SER A 24 1.856 -9.668 3.953 1.00 0.00 C ATOM 368 C SER A 24 3.213 -9.594 3.273 1.00 0.00 C ATOM 369 O SER A 24 3.389 -8.872 2.292 1.00 0.00 O ATOM 370 CB SER A 24 1.933 -9.033 5.342 1.00 0.00 C ATOM 371 OG SER A 24 0.639 -8.784 5.863 1.00 0.00 O ATOM 0 H SER A 24 1.376 -11.418 5.001 1.00 0.00 H new ATOM 0 HA SER A 24 1.130 -9.116 3.356 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.479 -9.692 6.017 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.492 -8.099 5.287 1.00 0.00 H new ATOM 0 HG SER A 24 0.205 -9.635 6.081 1.00 0.00 H new ATOM 377 N ASN A 25 4.172 -10.343 3.808 1.00 0.00 N ATOM 378 CA ASN A 25 5.514 -10.376 3.246 1.00 0.00 C ATOM 379 C ASN A 25 5.457 -10.726 1.765 1.00 0.00 C ATOM 380 O ASN A 25 6.132 -10.105 0.943 1.00 0.00 O ATOM 381 CB ASN A 25 6.379 -11.394 3.991 1.00 0.00 C ATOM 382 CG ASN A 25 7.226 -10.753 5.072 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.315 -10.246 4.805 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.729 -10.772 6.303 1.00 0.00 N ATOM 0 H ASN A 25 4.043 -10.934 4.629 1.00 0.00 H new ATOM 0 HA ASN A 25 5.960 -9.388 3.358 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.737 -12.153 4.439 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.028 -11.904 3.280 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.254 -10.355 7.072 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.822 -11.203 6.480 1.00 0.00 H new ATOM 391 N GLN A 26 4.645 -11.726 1.432 1.00 0.00 N ATOM 392 CA GLN A 26 4.493 -12.155 0.046 1.00 0.00 C ATOM 393 C GLN A 26 3.953 -11.020 -0.819 1.00 0.00 C ATOM 394 O GLN A 26 4.486 -10.737 -1.893 1.00 0.00 O ATOM 395 CB GLN A 26 3.558 -13.364 -0.035 1.00 0.00 C ATOM 396 CG GLN A 26 4.250 -14.688 0.241 1.00 0.00 C ATOM 397 CD GLN A 26 4.985 -15.226 -0.971 1.00 0.00 C ATOM 398 OE1 GLN A 26 4.373 -15.765 -1.893 1.00 0.00 O ATOM 399 NE2 GLN A 26 6.304 -15.081 -0.975 1.00 0.00 N ATOM 0 H GLN A 26 4.084 -12.253 2.101 1.00 0.00 H new ATOM 0 HA GLN A 26 5.476 -12.438 -0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.745 -13.233 0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.108 -13.399 -1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.955 -14.561 1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.510 -15.419 0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.770 -14.628 -0.189 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.852 -15.423 -1.764 1.00 0.00 H new ATOM 408 N LEU A 27 2.887 -10.380 -0.346 1.00 0.00 N ATOM 409 CA LEU A 27 2.273 -9.276 -1.074 1.00 0.00 C ATOM 410 C LEU A 27 3.284 -8.165 -1.340 1.00 0.00 C ATOM 411 O LEU A 27 3.396 -7.672 -2.465 1.00 0.00 O ATOM 412 CB LEU A 27 1.081 -8.718 -0.292 1.00 0.00 C ATOM 413 CG LEU A 27 -0.260 -8.779 -1.026 1.00 0.00 C ATOM 414 CD1 LEU A 27 -1.397 -8.382 -0.097 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.237 -7.882 -2.255 1.00 0.00 C ATOM 0 H LEU A 27 2.431 -10.608 0.538 1.00 0.00 H new ATOM 0 HA LEU A 27 1.923 -9.661 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.991 -9.268 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.289 -7.680 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.426 -9.806 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.342 -8.432 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.428 -9.065 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.236 -7.365 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.199 -7.938 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.047 -6.853 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.552 -8.212 -2.931 1.00 0.00 H new ATOM 427 N ILE A 28 4.019 -7.771 -0.303 1.00 0.00 N ATOM 428 CA ILE A 28 5.017 -6.718 -0.435 1.00 0.00 C ATOM 429 C ILE A 28 6.123 -7.128 -1.403 1.00 0.00 C ATOM 430 O ILE A 28 6.663 -6.294 -2.133 1.00 0.00 O ATOM 431 CB ILE A 28 5.622 -6.343 0.940 1.00 0.00 C ATOM 432 CG1 ILE A 28 5.671 -4.823 1.099 1.00 0.00 C ATOM 433 CG2 ILE A 28 7.012 -6.943 1.119 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.339 -4.214 1.479 1.00 0.00 C ATOM 0 H ILE A 28 3.941 -8.165 0.635 1.00 0.00 H new ATOM 0 HA ILE A 28 4.513 -5.840 -0.838 1.00 0.00 H new ATOM 0 HB ILE A 28 4.979 -6.760 1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.409 -4.569 1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.012 -4.378 0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.407 -6.660 2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.951 -8.029 1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.673 -6.569 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.447 -3.134 1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.603 -4.438 0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.006 -4.631 2.429 1.00 0.00 H new ATOM 446 N ASN A 29 6.458 -8.416 -1.404 1.00 0.00 N ATOM 447 CA ASN A 29 7.493 -8.934 -2.289 1.00 0.00 C ATOM 448 C ASN A 29 7.052 -8.812 -3.740 1.00 0.00 C ATOM 449 O ASN A 29 7.815 -8.370 -4.600 1.00 0.00 O ATOM 450 CB ASN A 29 7.800 -10.395 -1.954 1.00 0.00 C ATOM 451 CG ASN A 29 9.165 -10.567 -1.315 1.00 0.00 C ATOM 452 OD1 ASN A 29 10.098 -11.068 -1.942 1.00 0.00 O ATOM 453 ND2 ASN A 29 9.286 -10.153 -0.059 1.00 0.00 N ATOM 0 H ASN A 29 6.027 -9.118 -0.802 1.00 0.00 H new ATOM 0 HA ASN A 29 8.399 -8.346 -2.145 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.035 -10.779 -1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.750 -10.992 -2.865 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.180 -10.245 0.424 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.485 -9.743 0.422 1.00 0.00 H new ATOM 460 N HIS A 30 5.810 -9.207 -4.005 1.00 0.00 N ATOM 461 CA HIS A 30 5.256 -9.131 -5.349 1.00 0.00 C ATOM 462 C HIS A 30 5.268 -7.688 -5.835 1.00 0.00 C ATOM 463 O HIS A 30 5.642 -7.408 -6.975 1.00 0.00 O ATOM 464 CB HIS A 30 3.828 -9.680 -5.370 1.00 0.00 C ATOM 465 CG HIS A 30 3.741 -11.104 -5.820 1.00 0.00 C ATOM 466 ND1 HIS A 30 4.342 -12.146 -5.144 1.00 0.00 N ATOM 467 CD2 HIS A 30 3.118 -11.661 -6.887 1.00 0.00 C ATOM 468 CE1 HIS A 30 4.092 -13.280 -5.775 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.352 -13.013 -6.835 1.00 0.00 N ATOM 0 H HIS A 30 5.170 -9.583 -3.305 1.00 0.00 H new ATOM 0 HA HIS A 30 5.871 -9.736 -6.015 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.401 -9.597 -4.371 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.219 -9.061 -6.029 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.544 -11.139 -7.638 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.435 -14.259 -5.474 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.009 -13.700 -7.507 1.00 0.00 H new ATOM 478 N ILE A 31 4.855 -6.778 -4.959 1.00 0.00 N ATOM 479 CA ILE A 31 4.831 -5.358 -5.289 1.00 0.00 C ATOM 480 C ILE A 31 6.228 -4.874 -5.661 1.00 0.00 C ATOM 481 O ILE A 31 6.421 -4.245 -6.703 1.00 0.00 O ATOM 482 CB ILE A 31 4.296 -4.511 -4.115 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.845 -4.885 -3.807 1.00 0.00 C ATOM 484 CG2 ILE A 31 4.409 -3.026 -4.434 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.358 -4.371 -2.469 1.00 0.00 C ATOM 0 H ILE A 31 4.533 -6.998 -4.017 1.00 0.00 H new ATOM 0 HA ILE A 31 4.160 -5.235 -6.139 1.00 0.00 H new ATOM 0 HB ILE A 31 4.901 -4.719 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.202 -4.491 -4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.746 -5.970 -3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.027 -2.444 -3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.454 -2.770 -4.608 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.827 -2.800 -5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.322 -4.674 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.977 -4.785 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.424 -3.283 -2.451 1.00 0.00 H new ATOM 497 N GLU A 32 7.198 -5.171 -4.799 1.00 0.00 N ATOM 498 CA GLU A 32 8.582 -4.777 -5.037 1.00 0.00 C ATOM 499 C GLU A 32 9.059 -5.270 -6.399 1.00 0.00 C ATOM 500 O GLU A 32 9.803 -4.579 -7.096 1.00 0.00 O ATOM 501 CB GLU A 32 9.490 -5.328 -3.935 1.00 0.00 C ATOM 502 CG GLU A 32 9.393 -4.561 -2.627 1.00 0.00 C ATOM 503 CD GLU A 32 10.506 -4.914 -1.660 1.00 0.00 C ATOM 504 OE1 GLU A 32 11.634 -4.410 -1.845 1.00 0.00 O ATOM 505 OE2 GLU A 32 10.251 -5.693 -0.718 1.00 0.00 O ATOM 0 H GLU A 32 7.050 -5.683 -3.930 1.00 0.00 H new ATOM 0 HA GLU A 32 8.631 -3.688 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.235 -6.372 -3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.523 -5.308 -4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.423 -3.491 -2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.431 -4.768 -2.159 1.00 0.00 H new ATOM 512 N GLN A 33 8.628 -6.471 -6.771 1.00 0.00 N ATOM 513 CA GLN A 33 9.002 -7.051 -8.054 1.00 0.00 C ATOM 514 C GLN A 33 8.381 -6.256 -9.196 1.00 0.00 C ATOM 515 O GLN A 33 9.054 -5.917 -10.170 1.00 0.00 O ATOM 516 CB GLN A 33 8.557 -8.513 -8.130 1.00 0.00 C ATOM 517 CG GLN A 33 9.517 -9.477 -7.451 1.00 0.00 C ATOM 518 CD GLN A 33 8.956 -10.881 -7.348 1.00 0.00 C ATOM 519 OE1 GLN A 33 8.989 -11.649 -8.310 1.00 0.00 O ATOM 520 NE2 GLN A 33 8.436 -11.225 -6.175 1.00 0.00 N ATOM 0 H GLN A 33 8.020 -7.060 -6.202 1.00 0.00 H new ATOM 0 HA GLN A 33 10.087 -7.011 -8.147 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.573 -8.609 -7.671 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.449 -8.797 -9.177 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.454 -9.504 -8.008 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.750 -9.109 -6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.429 -10.557 -5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.043 -12.157 -6.045 1.00 0.00 H new ATOM 529 N PHE A 34 7.090 -5.964 -9.066 1.00 0.00 N ATOM 530 CA PHE A 34 6.370 -5.198 -10.078 1.00 0.00 C ATOM 531 C PHE A 34 7.047 -3.855 -10.320 1.00 0.00 C ATOM 532 O PHE A 34 6.967 -3.296 -11.415 1.00 0.00 O ATOM 533 CB PHE A 34 4.918 -4.978 -9.646 1.00 0.00 C ATOM 534 CG PHE A 34 4.003 -6.117 -10.000 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.746 -6.431 -11.325 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.400 -6.871 -9.007 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.904 -7.478 -11.653 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.557 -7.918 -9.328 1.00 0.00 C ATOM 539 CZ PHE A 34 2.309 -8.222 -10.652 1.00 0.00 C ATOM 0 H PHE A 34 6.520 -6.247 -8.268 1.00 0.00 H new ATOM 0 HA PHE A 34 6.382 -5.767 -11.007 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.889 -4.822 -8.568 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.544 -4.065 -10.111 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.208 -5.852 -12.110 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.591 -6.638 -7.970 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.712 -7.714 -12.689 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.093 -8.498 -8.544 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.651 -9.040 -10.905 1.00 0.00 H new ATOM 549 N LEU A 35 7.715 -3.340 -9.291 1.00 0.00 N ATOM 550 CA LEU A 35 8.410 -2.062 -9.395 1.00 0.00 C ATOM 551 C LEU A 35 9.494 -2.125 -10.467 1.00 0.00 C ATOM 552 O LEU A 35 9.595 -1.235 -11.313 1.00 0.00 O ATOM 553 CB LEU A 35 9.025 -1.675 -8.049 1.00 0.00 C ATOM 554 CG LEU A 35 8.244 -0.622 -7.261 1.00 0.00 C ATOM 555 CD1 LEU A 35 8.557 -0.724 -5.776 1.00 0.00 C ATOM 556 CD2 LEU A 35 8.559 0.773 -7.778 1.00 0.00 C ATOM 0 H LEU A 35 7.789 -3.788 -8.378 1.00 0.00 H new ATOM 0 HA LEU A 35 7.683 -1.302 -9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.116 -2.572 -7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.035 -1.303 -8.221 1.00 0.00 H new ATOM 0 HG LEU A 35 7.179 -0.809 -7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.992 0.033 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.280 -1.714 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.624 -0.565 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.994 1.509 -7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.626 0.969 -7.669 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.283 0.842 -8.830 1.00 0.00 H new ATOM 568 N ASP A 36 10.304 -3.180 -10.419 1.00 0.00 N ATOM 569 CA ASP A 36 11.378 -3.377 -11.391 1.00 0.00 C ATOM 570 C ASP A 36 10.867 -3.197 -12.820 1.00 0.00 C ATOM 571 O ASP A 36 11.643 -2.932 -13.737 1.00 0.00 O ATOM 572 CB ASP A 36 11.990 -4.769 -11.229 1.00 0.00 C ATOM 573 CG ASP A 36 13.301 -4.915 -11.979 1.00 0.00 C ATOM 574 OD1 ASP A 36 14.343 -4.488 -11.440 1.00 0.00 O ATOM 575 OD2 ASP A 36 13.283 -5.456 -13.104 1.00 0.00 O ATOM 0 H ASP A 36 10.237 -3.915 -9.715 1.00 0.00 H new ATOM 0 HA ASP A 36 12.144 -2.624 -11.203 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.156 -4.969 -10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.284 -5.518 -11.588 1.00 0.00 H new ATOM 580 N THR A 37 9.558 -3.343 -12.997 1.00 0.00 N ATOM 581 CA THR A 37 8.938 -3.191 -14.303 1.00 0.00 C ATOM 582 C THR A 37 8.318 -1.806 -14.436 1.00 0.00 C ATOM 583 O THR A 37 7.239 -1.543 -13.906 1.00 0.00 O ATOM 584 CB THR A 37 7.853 -4.257 -14.545 1.00 0.00 C ATOM 585 OG1 THR A 37 7.716 -5.089 -13.386 1.00 0.00 O ATOM 586 CG2 THR A 37 8.199 -5.116 -15.752 1.00 0.00 C ATOM 0 H THR A 37 8.905 -3.568 -12.246 1.00 0.00 H new ATOM 0 HA THR A 37 9.721 -3.320 -15.050 1.00 0.00 H new ATOM 0 HB THR A 37 6.910 -3.746 -14.739 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.299 -4.576 -12.662 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.419 -5.862 -15.904 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.275 -4.485 -16.638 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.152 -5.617 -15.581 1.00 0.00 H new ATOM 594 N ASN A 38 9.018 -0.925 -15.137 1.00 0.00 N ATOM 595 CA ASN A 38 8.552 0.443 -15.340 1.00 0.00 C ATOM 596 C ASN A 38 7.468 0.508 -16.415 1.00 0.00 C ATOM 597 O ASN A 38 7.583 1.261 -17.383 1.00 0.00 O ATOM 598 CB ASN A 38 9.724 1.349 -15.727 1.00 0.00 C ATOM 599 CG ASN A 38 9.467 2.803 -15.385 1.00 0.00 C ATOM 600 OD1 ASN A 38 9.125 3.606 -16.254 1.00 0.00 O ATOM 601 ND2 ASN A 38 9.630 3.150 -14.114 1.00 0.00 N ATOM 0 H ASN A 38 9.914 -1.133 -15.577 1.00 0.00 H new ATOM 0 HA ASN A 38 8.121 0.791 -14.401 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.625 1.012 -15.215 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.912 1.258 -16.797 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.471 4.115 -13.824 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.914 2.452 -13.427 1.00 0.00 H new ATOM 608 N GLU A 39 6.417 -0.285 -16.238 1.00 0.00 N ATOM 609 CA GLU A 39 5.309 -0.313 -17.186 1.00 0.00 C ATOM 610 C GLU A 39 4.029 0.193 -16.530 1.00 0.00 C ATOM 611 O GLU A 39 3.737 -0.139 -15.381 1.00 0.00 O ATOM 612 CB GLU A 39 5.100 -1.731 -17.719 1.00 0.00 C ATOM 613 CG GLU A 39 6.198 -2.195 -18.662 1.00 0.00 C ATOM 614 CD GLU A 39 6.049 -1.622 -20.057 1.00 0.00 C ATOM 615 OE1 GLU A 39 6.560 -0.507 -20.298 1.00 0.00 O ATOM 616 OE2 GLU A 39 5.424 -2.287 -20.908 1.00 0.00 O ATOM 0 H GLU A 39 6.309 -0.918 -15.445 1.00 0.00 H new ATOM 0 HA GLU A 39 5.556 0.344 -18.020 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.040 -2.421 -16.877 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.143 -1.777 -18.238 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.167 -1.905 -18.256 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.188 -3.284 -18.717 1.00 0.00 H new ATOM 623 N THR A 40 3.270 0.998 -17.266 1.00 0.00 N ATOM 624 CA THR A 40 2.023 1.554 -16.754 1.00 0.00 C ATOM 625 C THR A 40 1.053 0.455 -16.310 1.00 0.00 C ATOM 626 O THR A 40 0.518 0.513 -15.202 1.00 0.00 O ATOM 627 CB THR A 40 1.330 2.450 -17.799 1.00 0.00 C ATOM 628 OG1 THR A 40 2.306 3.215 -18.514 1.00 0.00 O ATOM 629 CG2 THR A 40 0.333 3.387 -17.133 1.00 0.00 C ATOM 0 H THR A 40 3.497 1.280 -18.220 1.00 0.00 H new ATOM 0 HA THR A 40 2.290 2.160 -15.888 1.00 0.00 H new ATOM 0 HB THR A 40 0.792 1.807 -18.495 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.857 3.780 -19.177 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.143 4.009 -17.890 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.426 2.801 -16.614 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.853 4.022 -16.416 1.00 0.00 H new ATOM 637 N PRO A 41 0.806 -0.565 -17.160 1.00 0.00 N ATOM 638 CA PRO A 41 -0.110 -1.661 -16.822 1.00 0.00 C ATOM 639 C PRO A 41 0.369 -2.465 -15.617 1.00 0.00 C ATOM 640 O PRO A 41 -0.419 -3.144 -14.960 1.00 0.00 O ATOM 641 CB PRO A 41 -0.113 -2.543 -18.079 1.00 0.00 C ATOM 642 CG PRO A 41 0.423 -1.676 -19.166 1.00 0.00 C ATOM 643 CD PRO A 41 1.386 -0.736 -18.504 1.00 0.00 C ATOM 0 HA PRO A 41 -1.097 -1.287 -16.549 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.507 -3.429 -17.940 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.119 -2.891 -18.313 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.922 -2.272 -19.931 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.379 -1.129 -19.661 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.392 -1.153 -18.460 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.457 0.212 -19.037 1.00 0.00 H new ATOM 651 N TYR A 42 1.665 -2.380 -15.333 1.00 0.00 N ATOM 652 CA TYR A 42 2.250 -3.104 -14.209 1.00 0.00 C ATOM 653 C TYR A 42 2.073 -2.333 -12.904 1.00 0.00 C ATOM 654 O TYR A 42 1.872 -2.929 -11.845 1.00 0.00 O ATOM 655 CB TYR A 42 3.735 -3.367 -14.464 1.00 0.00 C ATOM 656 CG TYR A 42 3.998 -4.610 -15.288 1.00 0.00 C ATOM 657 CD1 TYR A 42 3.559 -4.699 -16.604 1.00 0.00 C ATOM 658 CD2 TYR A 42 4.683 -5.692 -14.749 1.00 0.00 C ATOM 659 CE1 TYR A 42 3.797 -5.831 -17.359 1.00 0.00 C ATOM 660 CE2 TYR A 42 4.925 -6.827 -15.499 1.00 0.00 C ATOM 661 CZ TYR A 42 4.480 -6.892 -16.803 1.00 0.00 C ATOM 662 OH TYR A 42 4.718 -8.022 -17.552 1.00 0.00 O ATOM 0 H TYR A 42 2.330 -1.818 -15.865 1.00 0.00 H new ATOM 0 HA TYR A 42 1.729 -4.057 -14.115 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.166 -2.505 -14.974 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.248 -3.460 -13.507 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.024 -3.870 -17.043 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.032 -5.645 -13.728 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.450 -5.885 -18.380 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.460 -7.659 -15.066 1.00 0.00 H new ATOM 0 HH TYR A 42 5.211 -8.674 -17.012 1.00 0.00 H new ATOM 672 N PHE A 43 2.149 -1.007 -12.983 1.00 0.00 N ATOM 673 CA PHE A 43 1.996 -0.165 -11.802 1.00 0.00 C ATOM 674 C PHE A 43 0.548 -0.166 -11.323 1.00 0.00 C ATOM 675 O PHE A 43 0.266 0.125 -10.159 1.00 0.00 O ATOM 676 CB PHE A 43 2.454 1.264 -12.097 1.00 0.00 C ATOM 677 CG PHE A 43 3.911 1.494 -11.810 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.401 1.406 -10.515 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.794 1.796 -12.836 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.740 1.616 -10.249 1.00 0.00 C ATOM 681 CE2 PHE A 43 6.135 2.007 -12.575 1.00 0.00 C ATOM 682 CZ PHE A 43 6.608 1.916 -11.281 1.00 0.00 C ATOM 0 H PHE A 43 2.315 -0.495 -13.849 1.00 0.00 H new ATOM 0 HA PHE A 43 2.623 -0.575 -11.010 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.257 1.492 -13.145 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.860 1.958 -11.503 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.727 1.170 -9.705 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.430 1.867 -13.850 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.108 1.546 -9.236 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.812 2.243 -13.383 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.656 2.079 -11.076 1.00 0.00 H new ATOM 692 N MET A 44 -0.368 -0.494 -12.230 1.00 0.00 N ATOM 693 CA MET A 44 -1.785 -0.544 -11.896 1.00 0.00 C ATOM 694 C MET A 44 -2.054 -1.691 -10.929 1.00 0.00 C ATOM 695 O MET A 44 -2.961 -1.622 -10.096 1.00 0.00 O ATOM 696 CB MET A 44 -2.627 -0.717 -13.161 1.00 0.00 C ATOM 697 CG MET A 44 -2.672 0.527 -14.035 1.00 0.00 C ATOM 698 SD MET A 44 -3.612 0.275 -15.553 1.00 0.00 S ATOM 699 CE MET A 44 -3.506 1.904 -16.290 1.00 0.00 C ATOM 0 H MET A 44 -0.153 -0.728 -13.199 1.00 0.00 H new ATOM 0 HA MET A 44 -2.063 0.396 -11.419 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.226 -1.546 -13.744 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.644 -0.989 -12.877 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.115 1.347 -13.470 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.655 0.826 -14.287 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.363 2.064 -16.945 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.504 2.659 -15.504 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.587 1.982 -16.870 1.00 0.00 H new ATOM 709 N LYS A 45 -1.255 -2.748 -11.051 1.00 0.00 N ATOM 710 CA LYS A 45 -1.386 -3.914 -10.188 1.00 0.00 C ATOM 711 C LYS A 45 -0.850 -3.609 -8.795 1.00 0.00 C ATOM 712 O LYS A 45 -1.307 -4.182 -7.802 1.00 0.00 O ATOM 713 CB LYS A 45 -0.640 -5.106 -10.788 1.00 0.00 C ATOM 714 CG LYS A 45 -1.195 -6.453 -10.354 1.00 0.00 C ATOM 715 CD LYS A 45 -1.566 -7.314 -11.551 1.00 0.00 C ATOM 716 CE LYS A 45 -2.505 -8.442 -11.156 1.00 0.00 C ATOM 717 NZ LYS A 45 -3.468 -8.771 -12.243 1.00 0.00 N ATOM 0 H LYS A 45 -0.508 -2.819 -11.742 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.444 -4.165 -10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.680 -5.039 -11.875 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.411 -5.047 -10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.456 -6.973 -9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.074 -6.301 -9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.040 -6.695 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.662 -7.730 -11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.922 -9.329 -10.907 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.054 -8.159 -10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.090 -9.545 -11.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.042 -7.932 -12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.945 -9.066 -13.092 1.00 0.00 H new ATOM 731 N SER A 46 0.118 -2.699 -8.724 1.00 0.00 N ATOM 732 CA SER A 46 0.709 -2.315 -7.450 1.00 0.00 C ATOM 733 C SER A 46 -0.319 -1.581 -6.603 1.00 0.00 C ATOM 734 O SER A 46 -0.542 -1.924 -5.443 1.00 0.00 O ATOM 735 CB SER A 46 1.937 -1.431 -7.673 1.00 0.00 C ATOM 736 OG SER A 46 2.479 -1.628 -8.967 1.00 0.00 O ATOM 0 H SER A 46 0.508 -2.216 -9.533 1.00 0.00 H new ATOM 0 HA SER A 46 1.025 -3.217 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.663 -0.384 -7.546 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.693 -1.656 -6.921 1.00 0.00 H new ATOM 0 HG SER A 46 3.346 -1.176 -9.031 1.00 0.00 H new ATOM 742 N ILE A 47 -0.938 -0.560 -7.192 1.00 0.00 N ATOM 743 CA ILE A 47 -1.963 0.208 -6.501 1.00 0.00 C ATOM 744 C ILE A 47 -3.108 -0.706 -6.084 1.00 0.00 C ATOM 745 O ILE A 47 -3.636 -0.596 -4.976 1.00 0.00 O ATOM 746 CB ILE A 47 -2.519 1.340 -7.390 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.386 2.262 -7.856 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.586 2.130 -6.644 1.00 0.00 C ATOM 749 CD1 ILE A 47 -0.777 3.093 -6.746 1.00 0.00 C ATOM 0 H ILE A 47 -0.746 -0.248 -8.144 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.501 0.655 -5.620 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.980 0.893 -8.271 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.604 1.657 -8.315 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.768 2.929 -8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.967 2.924 -7.286 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.404 1.465 -6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.153 2.567 -5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.017 3.719 -7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.545 3.725 -6.301 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.363 2.434 -5.983 1.00 0.00 H new ATOM 761 N ASP A 48 -3.484 -1.612 -6.985 1.00 0.00 N ATOM 762 CA ASP A 48 -4.557 -2.560 -6.708 1.00 0.00 C ATOM 763 C ASP A 48 -4.194 -3.428 -5.511 1.00 0.00 C ATOM 764 O ASP A 48 -5.069 -3.929 -4.800 1.00 0.00 O ATOM 765 CB ASP A 48 -4.822 -3.438 -7.934 1.00 0.00 C ATOM 766 CG ASP A 48 -6.012 -2.960 -8.742 1.00 0.00 C ATOM 767 OD1 ASP A 48 -7.154 -3.326 -8.391 1.00 0.00 O ATOM 768 OD2 ASP A 48 -5.803 -2.219 -9.726 1.00 0.00 O ATOM 0 H ASP A 48 -3.062 -1.708 -7.909 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.464 -2.001 -6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.936 -3.448 -8.569 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.994 -4.465 -7.611 1.00 0.00 H new ATOM 773 N CYS A 49 -2.894 -3.597 -5.296 1.00 0.00 N ATOM 774 CA CYS A 49 -2.397 -4.394 -4.183 1.00 0.00 C ATOM 775 C CYS A 49 -2.372 -3.563 -2.906 1.00 0.00 C ATOM 776 O CYS A 49 -2.851 -4.001 -1.859 1.00 0.00 O ATOM 777 CB CYS A 49 -0.996 -4.926 -4.490 1.00 0.00 C ATOM 778 SG CYS A 49 -0.982 -6.457 -5.451 1.00 0.00 S ATOM 0 H CYS A 49 -2.164 -3.191 -5.881 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.069 -5.240 -4.039 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.440 -4.163 -5.035 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.469 -5.094 -3.551 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.081 -6.176 -6.716 1.00 0.00 H new ATOM 784 N ILE A 50 -1.810 -2.359 -3.000 1.00 0.00 N ATOM 785 CA ILE A 50 -1.729 -1.459 -1.856 1.00 0.00 C ATOM 786 C ILE A 50 -3.123 -1.128 -1.335 1.00 0.00 C ATOM 787 O ILE A 50 -3.299 -0.803 -0.162 1.00 0.00 O ATOM 788 CB ILE A 50 -0.983 -0.152 -2.224 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.103 0.311 -1.061 1.00 0.00 C ATOM 790 CG2 ILE A 50 -1.962 0.945 -2.624 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.006 1.253 -1.481 1.00 0.00 C ATOM 0 H ILE A 50 -1.404 -1.986 -3.858 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.167 -1.969 -1.073 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.343 -0.361 -3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.728 0.806 -0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.336 -0.562 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.410 1.850 -2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.540 0.619 -3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.637 1.151 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.590 1.541 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.654 0.754 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.574 2.143 -1.937 1.00 0.00 H new ATOM 803 N ARG A 51 -4.110 -1.217 -2.221 1.00 0.00 N ATOM 804 CA ARG A 51 -5.491 -0.939 -1.857 1.00 0.00 C ATOM 805 C ARG A 51 -6.064 -2.095 -1.049 1.00 0.00 C ATOM 806 O ARG A 51 -6.566 -1.903 0.060 1.00 0.00 O ATOM 807 CB ARG A 51 -6.337 -0.707 -3.111 1.00 0.00 C ATOM 808 CG ARG A 51 -6.246 0.711 -3.651 1.00 0.00 C ATOM 809 CD ARG A 51 -7.578 1.435 -3.543 1.00 0.00 C ATOM 810 NE ARG A 51 -7.524 2.772 -4.129 1.00 0.00 N ATOM 811 CZ ARG A 51 -8.577 3.391 -4.652 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.763 2.796 -4.665 1.00 0.00 N ATOM 813 NH2 ARG A 51 -8.446 4.608 -5.164 1.00 0.00 N ATOM 0 H ARG A 51 -3.977 -1.480 -3.197 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.514 -0.036 -1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.020 -1.404 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.379 -0.935 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.485 1.263 -3.100 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.928 0.685 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.350 0.851 -4.044 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.866 1.510 -2.494 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.627 3.258 -4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.869 1.860 -4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.569 3.274 -5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.536 5.069 -5.156 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.255 5.082 -5.565 1.00 0.00 H new ATOM 827 N ALA A 52 -5.988 -3.297 -1.613 1.00 0.00 N ATOM 828 CA ALA A 52 -6.488 -4.488 -0.938 1.00 0.00 C ATOM 829 C ALA A 52 -5.817 -4.663 0.421 1.00 0.00 C ATOM 830 O ALA A 52 -6.429 -5.151 1.371 1.00 0.00 O ATOM 831 CB ALA A 52 -6.264 -5.720 -1.802 1.00 0.00 C ATOM 0 H ALA A 52 -5.586 -3.471 -2.534 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.559 -4.364 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.643 -6.601 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.791 -5.601 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.198 -5.842 -1.993 1.00 0.00 H new ATOM 837 N PHE A 53 -4.554 -4.255 0.501 1.00 0.00 N ATOM 838 CA PHE A 53 -3.787 -4.361 1.738 1.00 0.00 C ATOM 839 C PHE A 53 -4.207 -3.291 2.743 1.00 0.00 C ATOM 840 O PHE A 53 -4.576 -3.601 3.877 1.00 0.00 O ATOM 841 CB PHE A 53 -2.291 -4.235 1.438 1.00 0.00 C ATOM 842 CG PHE A 53 -1.404 -4.926 2.440 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.549 -4.691 3.798 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.421 -5.805 2.017 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.730 -5.321 4.715 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.401 -6.438 2.930 1.00 0.00 C ATOM 847 CZ PHE A 53 0.247 -6.195 4.280 1.00 0.00 C ATOM 0 H PHE A 53 -4.039 -3.847 -0.279 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.988 -5.338 2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.094 -4.647 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.026 -3.178 1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.311 -4.008 4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.295 -5.998 0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.854 -5.130 5.771 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.163 -7.122 2.588 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.889 -6.687 4.995 1.00 0.00 H new ATOM 857 N ARG A 54 -4.141 -2.030 2.322 1.00 0.00 N ATOM 858 CA ARG A 54 -4.506 -0.910 3.185 1.00 0.00 C ATOM 859 C ARG A 54 -5.885 -1.109 3.805 1.00 0.00 C ATOM 860 O ARG A 54 -6.078 -0.865 4.992 1.00 0.00 O ATOM 861 CB ARG A 54 -4.480 0.401 2.398 1.00 0.00 C ATOM 862 CG ARG A 54 -4.426 1.639 3.278 1.00 0.00 C ATOM 863 CD ARG A 54 -4.687 2.904 2.476 1.00 0.00 C ATOM 864 NE ARG A 54 -3.670 3.121 1.449 1.00 0.00 N ATOM 865 CZ ARG A 54 -2.648 3.959 1.588 1.00 0.00 C ATOM 866 NH1 ARG A 54 -2.507 4.659 2.706 1.00 0.00 N ATOM 867 NH2 ARG A 54 -1.766 4.099 0.608 1.00 0.00 N ATOM 0 H ARG A 54 -3.838 -1.758 1.387 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.772 -0.864 3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.615 0.399 1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.367 0.453 1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.165 1.553 4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.448 1.705 3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.668 2.839 2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.711 3.761 3.149 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.749 2.600 0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.184 4.555 3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.722 5.301 2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.872 3.563 -0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.982 4.742 0.716 1.00 0.00 H new ATOM 881 N GLU A 55 -6.837 -1.555 2.993 1.00 0.00 N ATOM 882 CA GLU A 55 -8.202 -1.774 3.462 1.00 0.00 C ATOM 883 C GLU A 55 -8.266 -2.877 4.515 1.00 0.00 C ATOM 884 O GLU A 55 -8.749 -2.659 5.627 1.00 0.00 O ATOM 885 CB GLU A 55 -9.113 -2.128 2.285 1.00 0.00 C ATOM 886 CG GLU A 55 -9.708 -0.914 1.590 1.00 0.00 C ATOM 887 CD GLU A 55 -10.640 -1.291 0.455 1.00 0.00 C ATOM 888 OE1 GLU A 55 -10.143 -1.526 -0.667 1.00 0.00 O ATOM 889 OE2 GLU A 55 -11.865 -1.352 0.687 1.00 0.00 O ATOM 0 H GLU A 55 -6.690 -1.772 2.007 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.545 -0.848 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.545 -2.710 1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.922 -2.765 2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.253 -0.314 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.902 -0.291 1.202 1.00 0.00 H new ATOM 896 N GLU A 56 -7.770 -4.060 4.161 1.00 0.00 N ATOM 897 CA GLU A 56 -7.791 -5.201 5.071 1.00 0.00 C ATOM 898 C GLU A 56 -6.940 -4.948 6.312 1.00 0.00 C ATOM 899 O GLU A 56 -7.136 -5.587 7.348 1.00 0.00 O ATOM 900 CB GLU A 56 -7.297 -6.461 4.357 1.00 0.00 C ATOM 901 CG GLU A 56 -8.342 -7.098 3.454 1.00 0.00 C ATOM 902 CD GLU A 56 -8.487 -8.588 3.691 1.00 0.00 C ATOM 903 OE1 GLU A 56 -9.047 -8.970 4.740 1.00 0.00 O ATOM 904 OE2 GLU A 56 -8.040 -9.372 2.828 1.00 0.00 O ATOM 0 H GLU A 56 -7.349 -4.253 3.252 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.823 -5.344 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.419 -6.211 3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.980 -7.190 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.304 -6.612 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.071 -6.924 2.413 1.00 0.00 H new ATOM 911 N ALA A 57 -6.004 -4.008 6.211 1.00 0.00 N ATOM 912 CA ALA A 57 -5.122 -3.690 7.329 1.00 0.00 C ATOM 913 C ALA A 57 -5.754 -2.660 8.257 1.00 0.00 C ATOM 914 O ALA A 57 -5.967 -2.925 9.442 1.00 0.00 O ATOM 915 CB ALA A 57 -3.782 -3.188 6.814 1.00 0.00 C ATOM 0 H ALA A 57 -5.837 -3.456 5.370 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.962 -4.603 7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.133 -2.954 7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.316 -3.959 6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.936 -2.291 6.215 1.00 0.00 H new ATOM 921 N ILE A 58 -6.055 -1.483 7.712 1.00 0.00 N ATOM 922 CA ILE A 58 -6.658 -0.416 8.501 1.00 0.00 C ATOM 923 C ILE A 58 -7.947 -0.898 9.152 1.00 0.00 C ATOM 924 O ILE A 58 -8.234 -0.567 10.302 1.00 0.00 O ATOM 925 CB ILE A 58 -6.954 0.840 7.652 1.00 0.00 C ATOM 926 CG1 ILE A 58 -8.010 0.540 6.585 1.00 0.00 C ATOM 927 CG2 ILE A 58 -5.676 1.356 7.009 1.00 0.00 C ATOM 928 CD1 ILE A 58 -9.377 1.099 6.912 1.00 0.00 C ATOM 0 H ILE A 58 -5.892 -1.247 6.733 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.935 -0.143 9.269 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.349 1.614 8.310 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.678 0.950 5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.089 -0.540 6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.900 2.241 6.414 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.956 1.614 7.786 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.255 0.583 6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.074 0.848 6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.731 0.670 7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.313 2.183 7.010 1.00 0.00 H new ATOM 940 N LYS A 59 -8.721 -1.679 8.403 1.00 0.00 N ATOM 941 CA LYS A 59 -9.974 -2.219 8.907 1.00 0.00 C ATOM 942 C LYS A 59 -9.766 -2.890 10.257 1.00 0.00 C ATOM 943 O LYS A 59 -10.430 -2.547 11.235 1.00 0.00 O ATOM 944 CB LYS A 59 -10.569 -3.219 7.915 1.00 0.00 C ATOM 945 CG LYS A 59 -11.577 -2.602 6.960 1.00 0.00 C ATOM 946 CD LYS A 59 -13.001 -2.992 7.324 1.00 0.00 C ATOM 947 CE LYS A 59 -14.002 -2.451 6.316 1.00 0.00 C ATOM 948 NZ LYS A 59 -15.406 -2.734 6.721 1.00 0.00 N ATOM 0 H LYS A 59 -8.500 -1.950 7.445 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.671 -1.390 9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.762 -3.669 7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.052 -4.024 8.469 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.480 -1.516 6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.359 -2.924 5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.081 -4.078 7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.241 -2.611 8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.865 -1.375 6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.809 -2.895 5.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.057 -2.349 6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.545 -3.762 6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.598 -2.289 7.641 1.00 0.00 H new ATOM 962 N PHE A 60 -8.836 -3.846 10.312 1.00 0.00 N ATOM 963 CA PHE A 60 -8.559 -4.559 11.557 1.00 0.00 C ATOM 964 C PHE A 60 -7.397 -5.532 11.397 1.00 0.00 C ATOM 965 O PHE A 60 -7.599 -6.741 11.284 1.00 0.00 O ATOM 966 CB PHE A 60 -9.805 -5.319 12.037 1.00 0.00 C ATOM 967 CG PHE A 60 -10.718 -5.772 10.928 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.256 -6.608 9.922 1.00 0.00 C ATOM 969 CD2 PHE A 60 -12.040 -5.359 10.894 1.00 0.00 C ATOM 970 CE1 PHE A 60 -11.095 -7.023 8.906 1.00 0.00 C ATOM 971 CE2 PHE A 60 -12.884 -5.771 9.880 1.00 0.00 C ATOM 972 CZ PHE A 60 -12.412 -6.604 8.885 1.00 0.00 C ATOM 0 H PHE A 60 -8.268 -4.141 9.517 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.284 -3.813 12.302 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.487 -6.190 12.609 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.368 -4.679 12.717 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.228 -6.938 9.933 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -12.416 -4.707 11.669 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.722 -7.674 8.129 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -13.912 -5.442 9.866 1.00 0.00 H new ATOM 0 HZ PHE A 60 -13.070 -6.927 8.092 1.00 0.00 H new ATOM 982 N SER A 61 -6.177 -5.005 11.395 1.00 0.00 N ATOM 983 CA SER A 61 -4.996 -5.846 11.254 1.00 0.00 C ATOM 984 C SER A 61 -3.737 -5.128 11.725 1.00 0.00 C ATOM 985 O SER A 61 -3.465 -5.062 12.923 1.00 0.00 O ATOM 986 CB SER A 61 -4.840 -6.307 9.803 1.00 0.00 C ATOM 987 OG SER A 61 -4.070 -7.494 9.725 1.00 0.00 O ATOM 0 H SER A 61 -5.982 -4.008 11.489 1.00 0.00 H new ATOM 0 HA SER A 61 -5.133 -6.721 11.889 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.823 -6.478 9.365 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.363 -5.521 9.218 1.00 0.00 H new ATOM 0 HG SER A 61 -3.697 -7.584 8.823 1.00 0.00 H new ATOM 993 N GLU A 62 -2.972 -4.589 10.783 1.00 0.00 N ATOM 994 CA GLU A 62 -1.737 -3.892 11.118 1.00 0.00 C ATOM 995 C GLU A 62 -1.661 -2.542 10.420 1.00 0.00 C ATOM 996 O GLU A 62 -0.800 -2.318 9.570 1.00 0.00 O ATOM 997 CB GLU A 62 -0.526 -4.747 10.737 1.00 0.00 C ATOM 998 CG GLU A 62 -0.276 -5.906 11.689 1.00 0.00 C ATOM 999 CD GLU A 62 1.120 -6.483 11.550 1.00 0.00 C ATOM 1000 OE1 GLU A 62 2.088 -5.785 11.918 1.00 0.00 O ATOM 1001 OE2 GLU A 62 1.243 -7.631 11.076 1.00 0.00 O ATOM 0 H GLU A 62 -3.184 -4.621 9.786 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.730 -3.720 12.194 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.671 -5.139 9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.361 -4.114 10.708 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.425 -5.568 12.714 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.010 -6.690 11.502 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.578 -1.650 10.771 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.605 -0.312 10.189 1.00 0.00 C ATOM 1010 C GLU A 63 -1.248 0.381 10.328 1.00 0.00 C ATOM 1011 O GLU A 63 -0.816 1.106 9.430 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.694 0.534 10.852 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.604 0.559 12.370 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.956 0.748 13.030 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.842 -0.108 12.825 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -5.130 1.752 13.752 1.00 0.00 O ATOM 0 H GLU A 63 -3.313 -1.827 11.455 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.828 -0.414 9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.629 1.555 10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.671 0.148 10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.160 -0.373 12.720 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.937 1.365 12.678 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.578 0.148 11.456 1.00 0.00 N ATOM 1024 CA GLN A 64 0.727 0.754 11.717 1.00 0.00 C ATOM 1025 C GLN A 64 1.775 0.248 10.732 1.00 0.00 C ATOM 1026 O GLN A 64 2.803 0.894 10.515 1.00 0.00 O ATOM 1027 CB GLN A 64 1.171 0.457 13.150 1.00 0.00 C ATOM 1028 CG GLN A 64 0.282 1.093 14.206 1.00 0.00 C ATOM 1029 CD GLN A 64 0.865 0.985 15.601 1.00 0.00 C ATOM 1030 OE1 GLN A 64 1.834 1.667 15.936 1.00 0.00 O ATOM 1031 NE2 GLN A 64 0.276 0.125 16.423 1.00 0.00 N ATOM 0 H GLN A 64 -0.918 -0.456 12.204 1.00 0.00 H new ATOM 0 HA GLN A 64 0.629 1.832 11.588 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.185 -0.622 13.301 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.193 0.811 13.286 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.128 2.144 13.961 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.697 0.615 14.187 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.525 -0.420 16.103 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.624 0.009 17.375 1.00 0.00 H new ATOM 1040 N ARG A 65 1.510 -0.909 10.136 1.00 0.00 N ATOM 1041 CA ARG A 65 2.427 -1.495 9.169 1.00 0.00 C ATOM 1042 C ARG A 65 2.355 -0.728 7.854 1.00 0.00 C ATOM 1043 O ARG A 65 3.274 -0.783 7.033 1.00 0.00 O ATOM 1044 CB ARG A 65 2.093 -2.972 8.941 1.00 0.00 C ATOM 1045 CG ARG A 65 2.884 -3.611 7.813 1.00 0.00 C ATOM 1046 CD ARG A 65 2.445 -5.046 7.566 1.00 0.00 C ATOM 1047 NE ARG A 65 3.583 -5.940 7.369 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.089 -6.712 8.326 1.00 0.00 C ATOM 1049 NH1 ARG A 65 3.561 -6.698 9.543 1.00 0.00 N ATOM 1050 NH2 ARG A 65 5.126 -7.498 8.067 1.00 0.00 N ATOM 0 H ARG A 65 0.668 -1.459 10.306 1.00 0.00 H new ATOM 0 HA ARG A 65 3.441 -1.428 9.563 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.281 -3.524 9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.029 -3.065 8.725 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.755 -3.028 6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.946 -3.591 8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.852 -5.395 8.412 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.800 -5.082 6.688 1.00 0.00 H new ATOM 0 HE ARG A 65 4.014 -5.974 6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.765 -6.094 9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.951 -7.291 10.275 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.536 -7.510 7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.513 -8.090 8.802 1.00 0.00 H new ATOM 1064 N PHE A 66 1.260 0.006 7.671 1.00 0.00 N ATOM 1065 CA PHE A 66 1.065 0.789 6.460 1.00 0.00 C ATOM 1066 C PHE A 66 1.678 2.171 6.622 1.00 0.00 C ATOM 1067 O PHE A 66 2.408 2.636 5.748 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.415 0.893 6.103 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.696 0.459 4.694 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -0.768 -0.887 4.375 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -0.870 1.392 3.685 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -1.008 -1.294 3.077 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -1.113 0.992 2.386 1.00 0.00 C ATOM 1074 CZ PHE A 66 -1.181 -0.353 2.082 1.00 0.00 C ATOM 0 H PHE A 66 0.498 0.073 8.346 1.00 0.00 H new ATOM 0 HA PHE A 66 1.569 0.278 5.640 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.996 0.280 6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.746 1.923 6.236 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.635 -1.627 5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.815 2.445 3.917 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.060 -2.347 2.841 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.250 1.730 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.369 -0.669 1.066 1.00 0.00 H new ATOM 1084 N ASN A 67 1.379 2.832 7.741 1.00 0.00 N ATOM 1085 CA ASN A 67 1.945 4.148 8.006 1.00 0.00 C ATOM 1086 C ASN A 67 3.454 4.009 8.123 1.00 0.00 C ATOM 1087 O ASN A 67 4.203 4.982 8.011 1.00 0.00 O ATOM 1088 CB ASN A 67 1.366 4.768 9.282 1.00 0.00 C ATOM 1089 CG ASN A 67 1.016 3.747 10.334 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.882 3.298 11.083 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.259 3.389 10.407 1.00 0.00 N ATOM 0 H ASN A 67 0.756 2.480 8.468 1.00 0.00 H new ATOM 0 HA ASN A 67 1.689 4.815 7.183 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.088 5.473 9.695 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.473 5.339 9.028 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.559 2.712 11.108 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.939 3.791 9.762 1.00 0.00 H new ATOM 1098 N ASN A 68 3.881 2.770 8.349 1.00 0.00 N ATOM 1099 CA ASN A 68 5.296 2.457 8.459 1.00 0.00 C ATOM 1100 C ASN A 68 5.923 2.502 7.072 1.00 0.00 C ATOM 1101 O ASN A 68 6.873 3.249 6.826 1.00 0.00 O ATOM 1102 CB ASN A 68 5.497 1.077 9.089 1.00 0.00 C ATOM 1103 CG ASN A 68 6.961 0.704 9.210 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.593 0.296 8.236 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.508 0.838 10.413 1.00 0.00 N ATOM 0 H ASN A 68 3.263 1.966 8.459 1.00 0.00 H new ATOM 0 HA ASN A 68 5.778 3.193 9.103 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.038 1.062 10.078 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.983 0.328 8.487 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.489 0.599 10.557 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.947 1.180 11.193 1.00 0.00 H new ATOM 1112 N PHE A 69 5.378 1.691 6.169 1.00 0.00 N ATOM 1113 CA PHE A 69 5.855 1.644 4.791 1.00 0.00 C ATOM 1114 C PHE A 69 5.552 2.953 4.065 1.00 0.00 C ATOM 1115 O PHE A 69 6.215 3.295 3.085 1.00 0.00 O ATOM 1116 CB PHE A 69 5.210 0.473 4.046 1.00 0.00 C ATOM 1117 CG PHE A 69 6.072 -0.086 2.950 1.00 0.00 C ATOM 1118 CD1 PHE A 69 7.019 -1.060 3.224 1.00 0.00 C ATOM 1119 CD2 PHE A 69 5.936 0.363 1.646 1.00 0.00 C ATOM 1120 CE1 PHE A 69 7.813 -1.576 2.218 1.00 0.00 C ATOM 1121 CE2 PHE A 69 6.728 -0.149 0.635 1.00 0.00 C ATOM 1122 CZ PHE A 69 7.668 -1.120 0.922 1.00 0.00 C ATOM 0 H PHE A 69 4.604 1.057 6.368 1.00 0.00 H new ATOM 0 HA PHE A 69 6.936 1.502 4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.982 -0.320 4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.262 0.801 3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.138 -1.420 4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.203 1.122 1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.547 -2.335 2.445 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.612 0.209 -0.377 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.288 -1.522 0.135 1.00 0.00 H new ATOM 1132 N LEU A 70 4.546 3.680 4.550 1.00 0.00 N ATOM 1133 CA LEU A 70 4.162 4.955 3.949 1.00 0.00 C ATOM 1134 C LEU A 70 5.233 6.004 4.222 1.00 0.00 C ATOM 1135 O LEU A 70 5.745 6.642 3.300 1.00 0.00 O ATOM 1136 CB LEU A 70 2.810 5.430 4.505 1.00 0.00 C ATOM 1137 CG LEU A 70 1.551 4.924 3.775 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.936 6.034 2.932 1.00 0.00 C ATOM 1139 CD2 LEU A 70 1.854 3.705 2.910 1.00 0.00 C ATOM 0 H LEU A 70 3.983 3.408 5.356 1.00 0.00 H new ATOM 0 HA LEU A 70 4.065 4.814 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.744 5.125 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.799 6.520 4.490 1.00 0.00 H new ATOM 0 HG LEU A 70 0.831 4.621 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.048 5.656 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.659 6.869 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.661 6.372 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.942 3.377 2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.603 3.967 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.234 2.899 3.538 1.00 0.00 H new ATOM 1151 N LYS A 71 5.563 6.179 5.500 1.00 0.00 N ATOM 1152 CA LYS A 71 6.585 7.137 5.900 1.00 0.00 C ATOM 1153 C LYS A 71 7.875 6.888 5.130 1.00 0.00 C ATOM 1154 O LYS A 71 8.548 7.827 4.698 1.00 0.00 O ATOM 1155 CB LYS A 71 6.848 7.038 7.404 1.00 0.00 C ATOM 1156 CG LYS A 71 6.018 8.006 8.232 1.00 0.00 C ATOM 1157 CD LYS A 71 6.420 7.968 9.698 1.00 0.00 C ATOM 1158 CE LYS A 71 5.371 8.627 10.579 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.661 8.434 12.026 1.00 0.00 N ATOM 0 H LYS A 71 5.137 5.669 6.274 1.00 0.00 H new ATOM 0 HA LYS A 71 6.226 8.140 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.641 6.020 7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.905 7.225 7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.142 9.017 7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.961 7.756 8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.562 6.934 10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.376 8.475 9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.328 9.693 10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.390 8.213 10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.923 8.898 12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.677 7.417 12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.586 8.852 12.253 1.00 0.00 H new ATOM 1173 N ALA A 72 8.215 5.612 4.963 1.00 0.00 N ATOM 1174 CA ALA A 72 9.418 5.235 4.234 1.00 0.00 C ATOM 1175 C ALA A 72 9.255 5.521 2.746 1.00 0.00 C ATOM 1176 O ALA A 72 10.168 6.035 2.100 1.00 0.00 O ATOM 1177 CB ALA A 72 9.734 3.764 4.461 1.00 0.00 C ATOM 0 H ALA A 72 7.674 4.825 5.323 1.00 0.00 H new ATOM 0 HA ALA A 72 10.250 5.832 4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.636 3.496 3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.892 3.586 5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.901 3.155 4.111 1.00 0.00 H new ATOM 1183 N LEU A 73 8.082 5.182 2.214 1.00 0.00 N ATOM 1184 CA LEU A 73 7.784 5.407 0.804 1.00 0.00 C ATOM 1185 C LEU A 73 8.053 6.858 0.429 1.00 0.00 C ATOM 1186 O LEU A 73 8.553 7.147 -0.655 1.00 0.00 O ATOM 1187 CB LEU A 73 6.326 5.051 0.504 1.00 0.00 C ATOM 1188 CG LEU A 73 5.996 4.875 -0.978 1.00 0.00 C ATOM 1189 CD1 LEU A 73 6.332 3.464 -1.434 1.00 0.00 C ATOM 1190 CD2 LEU A 73 4.529 5.186 -1.238 1.00 0.00 C ATOM 0 H LEU A 73 7.323 4.750 2.740 1.00 0.00 H new ATOM 0 HA LEU A 73 8.433 4.764 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.078 4.128 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.685 5.832 0.913 1.00 0.00 H new ATOM 0 HG LEU A 73 6.603 5.575 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.091 3.356 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.395 3.276 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.751 2.746 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.312 5.056 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.905 4.510 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.318 6.216 -0.949 1.00 0.00 H new ATOM 1202 N GLN A 74 7.706 7.766 1.334 1.00 0.00 N ATOM 1203 CA GLN A 74 7.929 9.187 1.111 1.00 0.00 C ATOM 1204 C GLN A 74 9.425 9.489 1.106 1.00 0.00 C ATOM 1205 O GLN A 74 9.945 10.135 0.192 1.00 0.00 O ATOM 1206 CB GLN A 74 7.230 10.013 2.193 1.00 0.00 C ATOM 1207 CG GLN A 74 6.945 11.447 1.774 1.00 0.00 C ATOM 1208 CD GLN A 74 7.238 12.445 2.877 1.00 0.00 C ATOM 1209 OE1 GLN A 74 6.335 12.886 3.588 1.00 0.00 O ATOM 1210 NE2 GLN A 74 8.507 12.808 3.024 1.00 0.00 N ATOM 0 H GLN A 74 7.269 7.542 2.228 1.00 0.00 H new ATOM 0 HA GLN A 74 7.510 9.457 0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.291 9.528 2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.850 10.021 3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.546 11.692 0.898 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.900 11.534 1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.223 12.417 2.412 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.765 13.478 3.749 1.00 0.00 H new ATOM 1219 N GLU A 75 10.107 9.022 2.143 1.00 0.00 N ATOM 1220 CA GLU A 75 11.547 9.227 2.264 1.00 0.00 C ATOM 1221 C GLU A 75 12.292 8.658 1.059 1.00 0.00 C ATOM 1222 O GLU A 75 13.326 9.189 0.650 1.00 0.00 O ATOM 1223 CB GLU A 75 12.067 8.580 3.549 1.00 0.00 C ATOM 1224 CG GLU A 75 11.977 9.484 4.767 1.00 0.00 C ATOM 1225 CD GLU A 75 12.499 8.821 6.025 1.00 0.00 C ATOM 1226 OE1 GLU A 75 11.723 8.092 6.678 1.00 0.00 O ATOM 1227 OE2 GLU A 75 13.685 9.030 6.358 1.00 0.00 O ATOM 0 H GLU A 75 9.689 8.499 2.912 1.00 0.00 H new ATOM 0 HA GLU A 75 11.729 10.301 2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.501 7.669 3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.106 8.285 3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.543 10.397 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.939 9.779 4.920 1.00 0.00 H new ATOM 1234 N LYS A 76 11.748 7.589 0.479 1.00 0.00 N ATOM 1235 CA LYS A 76 12.372 6.935 -0.666 1.00 0.00 C ATOM 1236 C LYS A 76 12.039 7.668 -1.957 1.00 0.00 C ATOM 1237 O LYS A 76 12.931 8.041 -2.724 1.00 0.00 O ATOM 1238 CB LYS A 76 11.916 5.479 -0.759 1.00 0.00 C ATOM 1239 CG LYS A 76 12.903 4.494 -0.152 1.00 0.00 C ATOM 1240 CD LYS A 76 12.457 3.056 -0.364 1.00 0.00 C ATOM 1241 CE LYS A 76 13.207 2.101 0.551 1.00 0.00 C ATOM 1242 NZ LYS A 76 12.636 0.725 0.506 1.00 0.00 N ATOM 0 H LYS A 76 10.875 7.158 0.785 1.00 0.00 H new ATOM 0 HA LYS A 76 13.452 6.961 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.955 5.375 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.757 5.223 -1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.886 4.641 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.005 4.691 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.386 2.975 -0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.623 2.772 -1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.257 2.068 0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.172 2.475 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.175 0.104 1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.641 0.752 0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.693 0.357 -0.465 1.00 0.00 H new ATOM 1256 N VAL A 77 10.745 7.864 -2.191 1.00 0.00 N ATOM 1257 CA VAL A 77 10.281 8.553 -3.383 1.00 0.00 C ATOM 1258 C VAL A 77 11.011 9.878 -3.548 1.00 0.00 C ATOM 1259 O VAL A 77 11.208 10.353 -4.667 1.00 0.00 O ATOM 1260 CB VAL A 77 8.760 8.801 -3.346 1.00 0.00 C ATOM 1261 CG1 VAL A 77 8.398 9.829 -2.287 1.00 0.00 C ATOM 1262 CG2 VAL A 77 8.264 9.239 -4.709 1.00 0.00 C ATOM 0 H VAL A 77 10.000 7.553 -1.567 1.00 0.00 H new ATOM 0 HA VAL A 77 10.498 7.908 -4.235 1.00 0.00 H new ATOM 0 HB VAL A 77 8.270 7.864 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.319 9.984 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.716 9.470 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.899 10.771 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.188 9.410 -4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.767 10.161 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.479 8.461 -5.442 1.00 0.00 H new ATOM 1272 N GLU A 78 11.412 10.472 -2.426 1.00 0.00 N ATOM 1273 CA GLU A 78 12.144 11.727 -2.458 1.00 0.00 C ATOM 1274 C GLU A 78 13.481 11.512 -3.142 1.00 0.00 C ATOM 1275 O GLU A 78 13.862 12.260 -4.042 1.00 0.00 O ATOM 1276 CB GLU A 78 12.355 12.264 -1.041 1.00 0.00 C ATOM 1277 CG GLU A 78 11.175 13.058 -0.508 1.00 0.00 C ATOM 1278 CD GLU A 78 11.509 13.814 0.763 1.00 0.00 C ATOM 1279 OE1 GLU A 78 11.327 13.244 1.859 1.00 0.00 O ATOM 1280 OE2 GLU A 78 11.952 14.978 0.662 1.00 0.00 O ATOM 0 H GLU A 78 11.241 10.103 -1.490 1.00 0.00 H new ATOM 0 HA GLU A 78 11.565 12.462 -3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.552 11.428 -0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.242 12.897 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.842 13.763 -1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.343 12.381 -0.316 1.00 0.00 H new ATOM 1287 N ILE A 79 14.191 10.476 -2.702 1.00 0.00 N ATOM 1288 CA ILE A 79 15.486 10.138 -3.292 1.00 0.00 C ATOM 1289 C ILE A 79 15.343 9.840 -4.787 1.00 0.00 C ATOM 1290 O ILE A 79 16.333 9.622 -5.485 1.00 0.00 O ATOM 1291 CB ILE A 79 16.134 8.932 -2.578 1.00 0.00 C ATOM 1292 CG1 ILE A 79 16.256 9.212 -1.081 1.00 0.00 C ATOM 1293 CG2 ILE A 79 17.504 8.622 -3.168 1.00 0.00 C ATOM 1294 CD1 ILE A 79 15.793 8.066 -0.217 1.00 0.00 C ATOM 0 H ILE A 79 13.896 9.860 -1.945 1.00 0.00 H new ATOM 0 HA ILE A 79 16.136 11.004 -3.163 1.00 0.00 H new ATOM 0 HB ILE A 79 15.494 8.062 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.296 9.438 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.673 10.100 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.939 7.769 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.399 8.387 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.155 9.489 -3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.907 8.333 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.744 7.854 -0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.392 7.182 -0.434 1.00 0.00 H new ATOM 1306 N LYS A 80 14.093 9.832 -5.263 1.00 0.00 N ATOM 1307 CA LYS A 80 13.774 9.585 -6.667 1.00 0.00 C ATOM 1308 C LYS A 80 13.758 8.090 -6.983 1.00 0.00 C ATOM 1309 O LYS A 80 14.755 7.388 -6.810 1.00 0.00 O ATOM 1310 CB LYS A 80 14.740 10.351 -7.582 1.00 0.00 C ATOM 1311 CG LYS A 80 15.641 9.475 -8.443 1.00 0.00 C ATOM 1312 CD LYS A 80 16.295 10.277 -9.556 1.00 0.00 C ATOM 1313 CE LYS A 80 17.696 10.724 -9.171 1.00 0.00 C ATOM 1314 NZ LYS A 80 18.001 12.089 -9.679 1.00 0.00 N ATOM 0 H LYS A 80 13.273 9.998 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 80 12.768 9.958 -6.857 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.159 11.002 -8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.367 10.996 -6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.411 9.019 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.057 8.662 -8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.341 9.673 -10.462 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.683 11.150 -9.785 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.797 10.709 -8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.425 10.017 -9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 18.965 12.357 -9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.930 12.097 -10.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.321 12.768 -9.280 1.00 0.00 H new ATOM 1328 N GLN A 81 12.594 7.622 -7.436 1.00 0.00 N ATOM 1329 CA GLN A 81 12.396 6.218 -7.790 1.00 0.00 C ATOM 1330 C GLN A 81 10.936 5.950 -8.140 1.00 0.00 C ATOM 1331 O GLN A 81 10.638 5.216 -9.084 1.00 0.00 O ATOM 1332 CB GLN A 81 12.822 5.305 -6.638 1.00 0.00 C ATOM 1333 CG GLN A 81 14.023 4.435 -6.970 1.00 0.00 C ATOM 1334 CD GLN A 81 14.130 3.219 -6.070 1.00 0.00 C ATOM 1335 OE1 GLN A 81 13.388 3.084 -5.097 1.00 0.00 O ATOM 1336 NE2 GLN A 81 15.057 2.326 -6.392 1.00 0.00 N ATOM 0 H GLN A 81 11.766 8.203 -7.567 1.00 0.00 H new ATOM 0 HA GLN A 81 13.015 6.004 -8.661 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.056 5.917 -5.767 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.984 4.665 -6.363 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.955 4.109 -8.008 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.933 5.029 -6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 81 15.650 2.478 -7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.176 1.487 -5.824 1.00 0.00 H new ATOM 1345 N LEU A 82 10.031 6.550 -7.374 1.00 0.00 N ATOM 1346 CA LEU A 82 8.600 6.373 -7.598 1.00 0.00 C ATOM 1347 C LEU A 82 7.885 7.720 -7.645 1.00 0.00 C ATOM 1348 O LEU A 82 6.799 7.878 -7.086 1.00 0.00 O ATOM 1349 CB LEU A 82 7.995 5.498 -6.497 1.00 0.00 C ATOM 1350 CG LEU A 82 8.681 5.600 -5.135 1.00 0.00 C ATOM 1351 CD1 LEU A 82 7.652 5.543 -4.016 1.00 0.00 C ATOM 1352 CD2 LEU A 82 9.708 4.491 -4.974 1.00 0.00 C ATOM 0 H LEU A 82 10.263 7.163 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 82 8.466 5.879 -8.560 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.945 5.765 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.024 4.459 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 82 9.198 6.558 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.157 5.617 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.952 6.372 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.109 4.600 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.187 4.578 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.213 3.523 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.461 4.576 -5.757 1.00 0.00 H new ATOM 1364 N ASN A 83 8.501 8.686 -8.318 1.00 0.00 N ATOM 1365 CA ASN A 83 7.926 10.021 -8.440 1.00 0.00 C ATOM 1366 C ASN A 83 6.545 9.958 -9.086 1.00 0.00 C ATOM 1367 O ASN A 83 5.702 10.830 -8.867 1.00 0.00 O ATOM 1368 CB ASN A 83 8.851 10.921 -9.262 1.00 0.00 C ATOM 1369 CG ASN A 83 10.310 10.529 -9.128 1.00 0.00 C ATOM 1370 OD1 ASN A 83 10.839 9.775 -9.944 1.00 0.00 O ATOM 1371 ND2 ASN A 83 10.967 11.040 -8.093 1.00 0.00 N ATOM 0 H ASN A 83 9.399 8.569 -8.788 1.00 0.00 H new ATOM 0 HA ASN A 83 7.819 10.441 -7.440 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.560 10.874 -10.311 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.725 11.955 -8.942 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.951 10.811 -7.950 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.488 11.661 -7.441 1.00 0.00 H new ATOM 1378 N HIS A 84 6.318 8.917 -9.880 1.00 0.00 N ATOM 1379 CA HIS A 84 5.039 8.734 -10.557 1.00 0.00 C ATOM 1380 C HIS A 84 4.039 8.032 -9.644 1.00 0.00 C ATOM 1381 O HIS A 84 2.850 8.352 -9.650 1.00 0.00 O ATOM 1382 CB HIS A 84 5.222 7.929 -11.847 1.00 0.00 C ATOM 1383 CG HIS A 84 6.337 6.933 -11.783 1.00 0.00 C ATOM 1384 ND1 HIS A 84 6.420 5.955 -10.814 1.00 0.00 N ATOM 1385 CD2 HIS A 84 7.425 6.767 -12.574 1.00 0.00 C ATOM 1386 CE1 HIS A 84 7.509 5.233 -11.011 1.00 0.00 C ATOM 1387 NE2 HIS A 84 8.136 5.706 -12.072 1.00 0.00 N ATOM 0 H HIS A 84 7.004 8.186 -10.071 1.00 0.00 H new ATOM 0 HA HIS A 84 4.649 9.720 -10.810 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.293 7.406 -12.073 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.409 8.618 -12.671 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.684 7.360 -13.439 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.831 4.398 -10.407 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.008 5.342 -12.456 1.00 0.00 H new ATOM 1396 N PHE A 85 4.529 7.074 -8.861 1.00 0.00 N ATOM 1397 CA PHE A 85 3.677 6.329 -7.937 1.00 0.00 C ATOM 1398 C PHE A 85 2.941 7.272 -6.993 1.00 0.00 C ATOM 1399 O PHE A 85 1.742 7.120 -6.761 1.00 0.00 O ATOM 1400 CB PHE A 85 4.510 5.330 -7.131 1.00 0.00 C ATOM 1401 CG PHE A 85 3.732 4.126 -6.674 1.00 0.00 C ATOM 1402 CD1 PHE A 85 3.369 3.138 -7.575 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.365 3.983 -5.344 1.00 0.00 C ATOM 1404 CE1 PHE A 85 2.656 2.029 -7.159 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.650 2.876 -4.922 1.00 0.00 C ATOM 1406 CZ PHE A 85 2.296 1.898 -5.832 1.00 0.00 C ATOM 0 H PHE A 85 5.510 6.795 -8.848 1.00 0.00 H new ATOM 0 HA PHE A 85 2.939 5.784 -8.525 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.352 4.999 -7.738 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.925 5.836 -6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.646 3.235 -8.614 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.641 4.745 -4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.381 1.265 -7.871 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.369 2.777 -3.884 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.739 1.032 -5.506 1.00 0.00 H new ATOM 1416 N TRP A 86 3.666 8.250 -6.452 1.00 0.00 N ATOM 1417 CA TRP A 86 3.079 9.212 -5.535 1.00 0.00 C ATOM 1418 C TRP A 86 1.939 9.965 -6.209 1.00 0.00 C ATOM 1419 O TRP A 86 0.882 10.173 -5.614 1.00 0.00 O ATOM 1420 CB TRP A 86 4.145 10.186 -5.044 1.00 0.00 C ATOM 1421 CG TRP A 86 3.721 10.970 -3.846 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.702 12.325 -3.730 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.253 10.451 -2.596 1.00 0.00 C ATOM 1424 NE1 TRP A 86 3.251 12.688 -2.484 1.00 0.00 N ATOM 1425 CE2 TRP A 86 2.969 11.553 -1.768 1.00 0.00 C ATOM 1426 CE3 TRP A 86 3.046 9.162 -2.097 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.490 11.403 -0.468 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.570 9.016 -0.808 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.296 10.130 -0.007 1.00 0.00 C ATOM 0 H TRP A 86 4.659 8.393 -6.636 1.00 0.00 H new ATOM 0 HA TRP A 86 2.674 8.675 -4.677 1.00 0.00 H new ATOM 0 HB2 TRP A 86 5.052 9.631 -4.804 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.397 10.875 -5.850 1.00 0.00 H new ATOM 0 HD1 TRP A 86 3.999 13.016 -4.505 1.00 0.00 H new ATOM 0 HE1 TRP A 86 3.144 13.645 -2.147 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.254 8.296 -2.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 2.280 12.261 0.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.407 8.025 -0.412 1.00 0.00 H new ATOM 0 HH2 TRP A 86 1.924 9.982 0.996 1.00 0.00 H new ATOM 1440 N GLU A 87 2.163 10.376 -7.454 1.00 0.00 N ATOM 1441 CA GLU A 87 1.143 11.085 -8.212 1.00 0.00 C ATOM 1442 C GLU A 87 -0.055 10.172 -8.429 1.00 0.00 C ATOM 1443 O GLU A 87 -1.203 10.610 -8.391 1.00 0.00 O ATOM 1444 CB GLU A 87 1.699 11.554 -9.558 1.00 0.00 C ATOM 1445 CG GLU A 87 2.747 12.648 -9.435 1.00 0.00 C ATOM 1446 CD GLU A 87 3.456 12.925 -10.746 1.00 0.00 C ATOM 1447 OE1 GLU A 87 4.475 12.256 -11.023 1.00 0.00 O ATOM 1448 OE2 GLU A 87 2.993 13.810 -11.496 1.00 0.00 O ATOM 0 H GLU A 87 3.039 10.230 -7.956 1.00 0.00 H new ATOM 0 HA GLU A 87 0.831 11.964 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.135 10.701 -10.079 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.877 11.917 -10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.272 13.563 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.481 12.360 -8.683 1.00 0.00 H new ATOM 1455 N ILE A 88 0.231 8.893 -8.659 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.810 7.891 -8.861 1.00 0.00 C ATOM 1457 C ILE A 88 -1.489 7.567 -7.535 1.00 0.00 C ATOM 1458 O ILE A 88 -2.604 7.045 -7.497 1.00 0.00 O ATOM 1459 CB ILE A 88 -0.239 6.595 -9.475 1.00 0.00 C ATOM 1460 CG1 ILE A 88 0.468 6.899 -10.797 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -1.343 5.570 -9.687 1.00 0.00 C ATOM 1462 CD1 ILE A 88 1.530 5.884 -11.162 1.00 0.00 C ATOM 0 H ILE A 88 1.181 8.525 -8.710 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.538 8.308 -9.557 1.00 0.00 H new ATOM 0 HB ILE A 88 0.488 6.176 -8.779 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.273 6.940 -11.595 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.926 7.886 -10.736 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.920 4.664 -10.121 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.807 5.332 -8.730 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.094 5.979 -10.363 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.989 6.163 -12.110 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.292 5.859 -10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.074 4.898 -11.256 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.801 7.900 -6.447 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.309 7.641 -5.106 1.00 0.00 C ATOM 1476 C VAL A 89 -2.260 8.753 -4.675 1.00 0.00 C ATOM 1477 O VAL A 89 -3.283 8.498 -4.039 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.162 7.517 -4.079 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -0.670 7.734 -2.661 1.00 0.00 C ATOM 1480 CG2 VAL A 89 0.516 6.161 -4.204 1.00 0.00 C ATOM 0 H VAL A 89 0.113 8.352 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.846 6.693 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 89 0.571 8.294 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.159 7.641 -1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.105 8.730 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.428 6.987 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.322 6.089 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.213 5.372 -4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.925 6.050 -5.208 1.00 0.00 H new ATOM 1490 N VAL A 90 -1.922 9.987 -5.038 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.749 11.132 -4.687 1.00 0.00 C ATOM 1492 C VAL A 90 -3.870 11.318 -5.706 1.00 0.00 C ATOM 1493 O VAL A 90 -4.979 11.723 -5.357 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.916 12.428 -4.583 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -1.524 12.943 -5.959 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -2.678 13.491 -3.808 1.00 0.00 C ATOM 0 H VAL A 90 -1.084 10.217 -5.573 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.183 10.929 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.999 12.195 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.939 13.856 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.929 12.189 -6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.423 13.154 -6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.076 14.397 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.615 13.713 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.891 13.126 -2.803 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.570 11.019 -6.967 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.557 11.136 -8.034 1.00 0.00 C ATOM 1508 C GLN A 91 -5.703 10.161 -7.803 1.00 0.00 C ATOM 1509 O GLN A 91 -6.873 10.541 -7.847 1.00 0.00 O ATOM 1510 CB GLN A 91 -3.913 10.874 -9.397 1.00 0.00 C ATOM 1511 CG GLN A 91 -4.824 11.192 -10.572 1.00 0.00 C ATOM 1512 CD GLN A 91 -4.052 11.557 -11.825 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -4.027 10.799 -12.795 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -3.419 12.724 -11.812 1.00 0.00 N ATOM 0 H GLN A 91 -2.653 10.695 -7.274 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.950 12.153 -8.026 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.004 11.470 -9.481 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.614 9.827 -9.453 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -5.459 10.330 -10.779 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -5.484 12.017 -10.303 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.467 13.321 -10.986 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.885 13.024 -12.628 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.358 8.898 -7.559 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.360 7.866 -7.308 1.00 0.00 C ATOM 1525 C ASP A 92 -7.180 8.197 -6.064 1.00 0.00 C ATOM 1526 O ASP A 92 -8.138 7.496 -5.736 1.00 0.00 O ATOM 1527 CB ASP A 92 -5.688 6.502 -7.144 1.00 0.00 C ATOM 1528 CG ASP A 92 -5.513 5.781 -8.466 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -4.680 6.230 -9.281 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -6.210 4.768 -8.686 1.00 0.00 O ATOM 0 H ASP A 92 -4.394 8.566 -7.530 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.032 7.830 -8.165 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.714 6.634 -6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.285 5.884 -6.473 1.00 0.00 H new ATOM 1535 N GLY A 93 -6.796 9.267 -5.376 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.505 9.679 -4.182 1.00 0.00 C ATOM 1537 C GLY A 93 -7.065 8.929 -2.941 1.00 0.00 C ATOM 1538 O GLY A 93 -7.619 9.137 -1.862 1.00 0.00 O ATOM 0 H GLY A 93 -6.003 9.857 -5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.353 10.747 -4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.574 9.527 -4.331 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.072 8.053 -3.083 1.00 0.00 N ATOM 1543 CA ILE A 94 -5.576 7.286 -1.948 1.00 0.00 C ATOM 1544 C ILE A 94 -5.044 8.214 -0.863 1.00 0.00 C ATOM 1545 O ILE A 94 -4.133 9.009 -1.100 1.00 0.00 O ATOM 1546 CB ILE A 94 -4.464 6.303 -2.364 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -4.889 5.510 -3.603 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -4.131 5.363 -1.216 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -3.729 4.893 -4.352 1.00 0.00 C ATOM 0 H ILE A 94 -5.600 7.859 -3.966 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.418 6.712 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.569 6.875 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.577 4.721 -3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.436 6.169 -4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.344 4.675 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.790 5.943 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.020 4.796 -0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.104 4.347 -5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.051 5.679 -4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.194 4.208 -3.694 1.00 0.00 H new ATOM 1561 N THR A 95 -5.621 8.104 0.325 1.00 0.00 N ATOM 1562 CA THR A 95 -5.224 8.937 1.452 1.00 0.00 C ATOM 1563 C THR A 95 -4.211 8.229 2.340 1.00 0.00 C ATOM 1564 O THR A 95 -3.636 7.209 1.960 1.00 0.00 O ATOM 1565 CB THR A 95 -6.441 9.348 2.303 1.00 0.00 C ATOM 1566 OG1 THR A 95 -6.971 8.206 2.986 1.00 0.00 O ATOM 1567 CG2 THR A 95 -7.523 9.972 1.434 1.00 0.00 C ATOM 0 H THR A 95 -6.369 7.443 0.534 1.00 0.00 H new ATOM 0 HA THR A 95 -4.764 9.831 1.032 1.00 0.00 H new ATOM 0 HB THR A 95 -6.112 10.087 3.034 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.642 8.497 3.638 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.372 10.254 2.057 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.126 10.858 0.939 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.847 9.251 0.683 1.00 0.00 H new ATOM 1575 N LEU A 96 -4.001 8.783 3.528 1.00 0.00 N ATOM 1576 CA LEU A 96 -3.054 8.219 4.477 1.00 0.00 C ATOM 1577 C LEU A 96 -3.799 7.482 5.573 1.00 0.00 C ATOM 1578 O LEU A 96 -5.023 7.572 5.677 1.00 0.00 O ATOM 1579 CB LEU A 96 -2.189 9.314 5.108 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.946 9.730 4.311 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.245 8.867 4.698 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -1.199 9.648 2.811 1.00 0.00 C ATOM 0 H LEU A 96 -4.476 9.624 3.856 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.407 7.528 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.810 10.197 5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.868 8.974 6.093 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.721 10.768 4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.119 9.175 4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.450 8.985 5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.021 7.822 4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.300 9.949 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.458 8.624 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.021 10.312 2.544 1.00 0.00 H new ATOM 1594 N ILE A 97 -3.060 6.753 6.389 1.00 0.00 N ATOM 1595 CA ILE A 97 -3.657 6.020 7.488 1.00 0.00 C ATOM 1596 C ILE A 97 -4.120 7.002 8.560 1.00 0.00 C ATOM 1597 O ILE A 97 -3.302 7.593 9.265 1.00 0.00 O ATOM 1598 CB ILE A 97 -2.661 4.999 8.082 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -2.718 3.685 7.296 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -2.948 4.754 9.555 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -2.325 3.827 5.838 1.00 0.00 C ATOM 0 H ILE A 97 -2.048 6.653 6.311 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.516 5.463 7.113 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.656 5.412 8.000 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.058 2.959 7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.729 3.282 7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.233 4.032 9.950 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.858 5.691 10.104 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.959 4.363 9.669 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.390 2.856 5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.999 4.528 5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.303 4.200 5.771 1.00 0.00 H new ATOM 1613 N THR A 98 -5.433 7.192 8.657 1.00 0.00 N ATOM 1614 CA THR A 98 -6.002 8.116 9.631 1.00 0.00 C ATOM 1615 C THR A 98 -6.664 7.380 10.790 1.00 0.00 C ATOM 1616 O THR A 98 -7.241 6.307 10.612 1.00 0.00 O ATOM 1617 CB THR A 98 -7.036 9.052 8.978 1.00 0.00 C ATOM 1618 OG1 THR A 98 -6.742 9.212 7.585 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.042 10.412 9.658 1.00 0.00 C ATOM 0 H THR A 98 -6.122 6.718 8.073 1.00 0.00 H new ATOM 0 HA THR A 98 -5.171 8.707 10.016 1.00 0.00 H new ATOM 0 HB THR A 98 -8.022 8.602 9.092 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.405 9.807 7.177 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.780 11.055 9.179 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.295 10.291 10.711 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.055 10.866 9.572 1.00 0.00 H new ATOM 1627 N LYS A 99 -6.565 7.969 11.979 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.148 7.392 13.187 1.00 0.00 C ATOM 1629 C LYS A 99 -8.579 6.917 12.946 1.00 0.00 C ATOM 1630 O LYS A 99 -8.865 5.722 13.024 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.126 8.417 14.324 1.00 0.00 C ATOM 1632 CG LYS A 99 -7.260 9.857 13.855 1.00 0.00 C ATOM 1633 CD LYS A 99 -7.832 10.749 14.945 1.00 0.00 C ATOM 1634 CE LYS A 99 -6.784 11.706 15.490 1.00 0.00 C ATOM 1635 NZ LYS A 99 -7.400 12.847 16.223 1.00 0.00 N ATOM 0 H LYS A 99 -6.082 8.854 12.132 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.547 6.527 13.465 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.937 8.194 15.018 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.194 8.311 14.879 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.283 10.234 13.551 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.904 9.896 12.977 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.673 11.317 14.547 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.219 10.132 15.756 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.112 11.166 16.157 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.178 12.087 14.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.652 13.476 16.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.022 13.378 15.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.957 12.485 17.023 1.00 0.00 H new ATOM 1649 N GLU A 100 -9.474 7.856 12.659 1.00 0.00 N ATOM 1650 CA GLU A 100 -10.873 7.528 12.413 1.00 0.00 C ATOM 1651 C GLU A 100 -11.014 6.604 11.207 1.00 0.00 C ATOM 1652 O GLU A 100 -11.939 5.794 11.138 1.00 0.00 O ATOM 1653 CB GLU A 100 -11.687 8.804 12.198 1.00 0.00 C ATOM 1654 CG GLU A 100 -13.162 8.552 11.919 1.00 0.00 C ATOM 1655 CD GLU A 100 -14.063 9.095 13.011 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -14.323 8.362 13.986 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -14.507 10.257 12.890 1.00 0.00 O ATOM 0 H GLU A 100 -9.255 8.850 12.591 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.258 7.006 13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.597 9.435 13.082 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.259 9.361 11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.432 9.012 10.968 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.330 7.480 11.814 1.00 0.00 H new ATOM 1664 N GLU A 101 -10.089 6.727 10.260 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.111 5.899 9.060 1.00 0.00 C ATOM 1666 C GLU A 101 -9.473 4.538 9.329 1.00 0.00 C ATOM 1667 O GLU A 101 -9.182 3.784 8.402 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.379 6.601 7.914 1.00 0.00 C ATOM 1669 CG GLU A 101 -10.121 7.812 7.373 1.00 0.00 C ATOM 1670 CD GLU A 101 -10.095 7.881 5.858 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -10.867 7.137 5.217 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -9.304 8.679 5.313 1.00 0.00 O ATOM 0 H GLU A 101 -9.316 7.391 10.301 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.151 5.745 8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.394 6.913 8.260 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.222 5.889 7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.156 7.782 7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.676 8.719 7.782 1.00 0.00 H new ATOM 1679 N ALA A 102 -9.259 4.236 10.606 1.00 0.00 N ATOM 1680 CA ALA A 102 -8.656 2.968 11.002 1.00 0.00 C ATOM 1681 C ALA A 102 -9.654 2.102 11.764 1.00 0.00 C ATOM 1682 O ALA A 102 -10.207 1.148 11.214 1.00 0.00 O ATOM 1683 CB ALA A 102 -7.414 3.213 11.847 1.00 0.00 C ATOM 0 H ALA A 102 -9.494 4.852 11.384 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.365 2.434 10.097 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.975 2.258 12.135 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.688 3.786 11.270 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.687 3.771 12.743 1.00 0.00 H new ATOM 1689 N SER A 103 -9.884 2.440 13.031 1.00 0.00 N ATOM 1690 CA SER A 103 -10.816 1.688 13.864 1.00 0.00 C ATOM 1691 C SER A 103 -11.084 2.408 15.183 1.00 0.00 C ATOM 1692 O SER A 103 -12.124 3.046 15.352 1.00 0.00 O ATOM 1693 CB SER A 103 -10.268 0.285 14.140 1.00 0.00 C ATOM 1694 OG SER A 103 -11.032 -0.374 15.135 1.00 0.00 O ATOM 0 H SER A 103 -9.438 3.228 13.501 1.00 0.00 H new ATOM 0 HA SER A 103 -11.758 1.607 13.321 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.280 -0.301 13.221 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.229 0.354 14.461 1.00 0.00 H new ATOM 0 HG SER A 103 -10.663 -1.268 15.292 1.00 0.00 H new ATOM 1700 N GLY A 104 -10.140 2.301 16.114 1.00 0.00 N ATOM 1701 CA GLY A 104 -10.298 2.938 17.410 1.00 0.00 C ATOM 1702 C GLY A 104 -9.662 4.313 17.475 1.00 0.00 C ATOM 1703 O GLY A 104 -9.147 4.712 18.520 1.00 0.00 O ATOM 0 H GLY A 104 -9.269 1.785 15.994 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.360 3.024 17.640 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.856 2.303 18.177 1.00 0.00 H new ATOM 1707 N SER A 105 -9.703 5.040 16.361 1.00 0.00 N ATOM 1708 CA SER A 105 -9.128 6.380 16.296 1.00 0.00 C ATOM 1709 C SER A 105 -7.724 6.414 16.897 1.00 0.00 C ATOM 1710 O SER A 105 -7.468 7.135 17.862 1.00 0.00 O ATOM 1711 CB SER A 105 -10.033 7.377 17.025 1.00 0.00 C ATOM 1712 OG SER A 105 -10.101 8.609 16.326 1.00 0.00 O ATOM 0 H SER A 105 -10.129 4.723 15.490 1.00 0.00 H new ATOM 0 HA SER A 105 -9.052 6.661 15.246 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.034 6.957 17.127 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.654 7.547 18.033 1.00 0.00 H new ATOM 0 HG SER A 105 -10.686 9.228 16.811 1.00 0.00 H new ATOM 1718 N SER A 106 -6.814 5.632 16.321 1.00 0.00 N ATOM 1719 CA SER A 106 -5.440 5.580 16.808 1.00 0.00 C ATOM 1720 C SER A 106 -4.444 5.915 15.700 1.00 0.00 C ATOM 1721 O SER A 106 -3.960 5.025 15.002 1.00 0.00 O ATOM 1722 CB SER A 106 -5.135 4.195 17.380 1.00 0.00 C ATOM 1723 OG SER A 106 -5.675 4.050 18.681 1.00 0.00 O ATOM 0 H SER A 106 -7.003 5.029 15.520 1.00 0.00 H new ATOM 0 HA SER A 106 -5.336 6.327 17.595 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.548 3.428 16.724 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.056 4.041 17.411 1.00 0.00 H new ATOM 0 HG SER A 106 -5.468 3.155 19.023 1.00 0.00 H new ATOM 1729 N VAL A 107 -4.137 7.204 15.553 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.190 7.674 14.543 1.00 0.00 C ATOM 1731 C VAL A 107 -3.062 9.196 14.608 1.00 0.00 C ATOM 1732 O VAL A 107 -3.983 9.883 15.050 1.00 0.00 O ATOM 1733 CB VAL A 107 -3.606 7.237 13.115 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -3.576 8.403 12.133 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -2.707 6.111 12.629 1.00 0.00 C ATOM 0 H VAL A 107 -4.535 7.947 16.127 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.224 7.219 14.761 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.634 6.879 13.165 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.874 8.054 11.144 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.266 9.178 12.467 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.567 8.812 12.084 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.009 5.812 11.625 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.672 6.454 12.610 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.795 5.259 13.303 1.00 0.00 H new ATOM 1745 N THR A 108 -1.920 9.716 14.168 1.00 0.00 N ATOM 1746 CA THR A 108 -1.684 11.154 14.193 1.00 0.00 C ATOM 1747 C THR A 108 -2.267 11.846 12.963 1.00 0.00 C ATOM 1748 O THR A 108 -2.353 11.261 11.883 1.00 0.00 O ATOM 1749 CB THR A 108 -0.180 11.472 14.275 1.00 0.00 C ATOM 1750 OG1 THR A 108 0.567 10.266 14.476 1.00 0.00 O ATOM 1751 CG2 THR A 108 0.107 12.446 15.408 1.00 0.00 C ATOM 0 H THR A 108 -1.148 9.166 13.792 1.00 0.00 H new ATOM 0 HA THR A 108 -2.186 11.532 15.084 1.00 0.00 H new ATOM 0 HB THR A 108 0.122 11.933 13.335 1.00 0.00 H new ATOM 0 HG1 THR A 108 1.523 10.477 14.525 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.176 12.655 15.446 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.439 13.374 15.237 1.00 0.00 H new ATOM 0 HG23 THR A 108 -0.211 12.007 16.354 1.00 0.00 H new ATOM 1759 N ALA A 109 -2.666 13.101 13.147 1.00 0.00 N ATOM 1760 CA ALA A 109 -3.232 13.909 12.072 1.00 0.00 C ATOM 1761 C ALA A 109 -2.127 14.510 11.213 1.00 0.00 C ATOM 1762 O ALA A 109 -2.377 15.037 10.129 1.00 0.00 O ATOM 1763 CB ALA A 109 -4.117 15.006 12.645 1.00 0.00 C ATOM 0 H ALA A 109 -2.606 13.585 14.043 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.843 13.264 11.441 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.532 15.601 11.831 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -4.929 14.557 13.217 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.525 15.647 13.298 1.00 0.00 H new ATOM 1769 N GLU A 110 -0.902 14.421 11.717 1.00 0.00 N ATOM 1770 CA GLU A 110 0.257 14.977 11.029 1.00 0.00 C ATOM 1771 C GLU A 110 0.665 14.108 9.843 1.00 0.00 C ATOM 1772 O GLU A 110 1.364 14.568 8.940 1.00 0.00 O ATOM 1773 CB GLU A 110 1.432 15.116 11.999 1.00 0.00 C ATOM 1774 CG GLU A 110 1.471 16.454 12.719 1.00 0.00 C ATOM 1775 CD GLU A 110 2.640 16.565 13.679 1.00 0.00 C ATOM 1776 OE1 GLU A 110 2.482 16.172 14.854 1.00 0.00 O ATOM 1777 OE2 GLU A 110 3.713 17.046 13.257 1.00 0.00 O ATOM 0 H GLU A 110 -0.685 13.967 12.604 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.018 15.962 10.653 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.379 14.317 12.738 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.364 14.981 11.450 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.532 17.257 11.984 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.540 16.594 13.268 1.00 0.00 H new ATOM 1784 N GLU A 111 0.227 12.851 9.846 1.00 0.00 N ATOM 1785 CA GLU A 111 0.559 11.922 8.775 1.00 0.00 C ATOM 1786 C GLU A 111 -0.328 12.144 7.554 1.00 0.00 C ATOM 1787 O GLU A 111 0.161 12.251 6.431 1.00 0.00 O ATOM 1788 CB GLU A 111 0.406 10.478 9.271 1.00 0.00 C ATOM 1789 CG GLU A 111 0.095 9.481 8.168 1.00 0.00 C ATOM 1790 CD GLU A 111 0.456 8.059 8.549 1.00 0.00 C ATOM 1791 OE1 GLU A 111 -0.373 7.391 9.201 1.00 0.00 O ATOM 1792 OE2 GLU A 111 1.568 7.615 8.194 1.00 0.00 O ATOM 0 H GLU A 111 -0.359 12.454 10.580 1.00 0.00 H new ATOM 0 HA GLU A 111 1.593 12.101 8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.326 10.176 9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.389 10.442 10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -0.967 9.530 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.639 9.761 7.266 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.633 12.218 7.783 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.587 12.396 6.698 1.00 0.00 C ATOM 1801 C ALA A 112 -2.613 13.829 6.172 1.00 0.00 C ATOM 1802 O ALA A 112 -3.026 14.071 5.038 1.00 0.00 O ATOM 1803 CB ALA A 112 -3.978 11.979 7.151 1.00 0.00 C ATOM 0 H ALA A 112 -2.054 12.157 8.710 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.262 11.758 5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.684 12.116 6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.965 10.930 7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.283 12.592 7.999 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.174 14.777 6.992 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.177 16.182 6.596 1.00 0.00 C ATOM 1811 C LYS A 113 -0.899 16.581 5.858 1.00 0.00 C ATOM 1812 O LYS A 113 -0.958 17.183 4.785 1.00 0.00 O ATOM 1813 CB LYS A 113 -2.363 17.074 7.825 1.00 0.00 C ATOM 1814 CG LYS A 113 -3.803 17.158 8.303 1.00 0.00 C ATOM 1815 CD LYS A 113 -3.990 18.278 9.314 1.00 0.00 C ATOM 1816 CE LYS A 113 -5.406 18.300 9.864 1.00 0.00 C ATOM 1817 NZ LYS A 113 -5.540 19.232 11.018 1.00 0.00 N ATOM 0 H LYS A 113 -1.813 14.601 7.930 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.011 16.320 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.741 16.695 8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.007 18.078 7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.462 17.323 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.094 16.209 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.282 18.152 10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.766 19.235 8.844 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.097 18.597 9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.690 17.295 10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.521 19.218 11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.899 18.934 11.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.294 20.196 10.716 1.00 0.00 H new ATOM 1831 N LYS A 114 0.250 16.245 6.433 1.00 0.00 N ATOM 1832 CA LYS A 114 1.536 16.601 5.841 1.00 0.00 C ATOM 1833 C LYS A 114 1.832 15.819 4.560 1.00 0.00 C ATOM 1834 O LYS A 114 2.539 16.313 3.680 1.00 0.00 O ATOM 1835 CB LYS A 114 2.657 16.375 6.854 1.00 0.00 C ATOM 1836 CG LYS A 114 3.646 17.525 6.933 1.00 0.00 C ATOM 1837 CD LYS A 114 4.871 17.268 6.070 1.00 0.00 C ATOM 1838 CE LYS A 114 5.984 18.257 6.375 1.00 0.00 C ATOM 1839 NZ LYS A 114 6.334 18.270 7.823 1.00 0.00 N ATOM 0 H LYS A 114 0.318 15.726 7.309 1.00 0.00 H new ATOM 0 HA LYS A 114 1.482 17.656 5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.218 16.216 7.839 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.193 15.463 6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.160 18.446 6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.953 17.671 7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.229 16.252 6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.597 17.340 5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.868 18.001 5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.676 19.256 6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.303 18.628 7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.671 18.887 8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.273 17.304 8.204 1.00 0.00 H new ATOM 1853 N PHE A 115 1.299 14.607 4.452 1.00 0.00 N ATOM 1854 CA PHE A 115 1.544 13.777 3.274 1.00 0.00 C ATOM 1855 C PHE A 115 0.700 14.217 2.079 1.00 0.00 C ATOM 1856 O PHE A 115 1.215 14.359 0.970 1.00 0.00 O ATOM 1857 CB PHE A 115 1.274 12.307 3.594 1.00 0.00 C ATOM 1858 CG PHE A 115 2.462 11.598 4.180 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.971 11.971 5.413 1.00 0.00 C ATOM 1860 CD2 PHE A 115 3.072 10.562 3.492 1.00 0.00 C ATOM 1861 CE1 PHE A 115 4.067 11.321 5.950 1.00 0.00 C ATOM 1862 CE2 PHE A 115 4.168 9.910 4.024 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.666 10.290 5.255 1.00 0.00 C ATOM 0 H PHE A 115 0.700 14.179 5.158 1.00 0.00 H new ATOM 0 HA PHE A 115 2.592 13.901 3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.440 12.242 4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.967 11.794 2.682 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.507 12.778 5.961 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.687 10.261 2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.454 11.620 6.913 1.00 0.00 H new ATOM 0 HE2 PHE A 115 4.635 9.104 3.478 1.00 0.00 H new ATOM 0 HZ PHE A 115 5.522 9.781 5.673 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.592 14.431 2.304 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.490 14.852 1.232 1.00 0.00 C ATOM 1875 C LEU A 116 -1.434 16.365 1.036 1.00 0.00 C ATOM 1876 O LEU A 116 -2.451 17.006 0.771 1.00 0.00 O ATOM 1877 CB LEU A 116 -2.926 14.415 1.536 1.00 0.00 C ATOM 1878 CG LEU A 116 -3.275 12.990 1.100 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -3.826 12.194 2.274 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -4.275 13.011 -0.048 1.00 0.00 C ATOM 0 H LEU A 116 -1.040 14.321 3.214 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.162 14.373 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.097 14.503 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.612 15.107 1.046 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.364 12.504 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.069 11.183 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -3.078 12.149 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.726 12.679 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.511 11.989 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.187 13.515 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.845 13.544 -0.896 1.00 0.00 H new ATOM 1892 N ALA A 117 -0.237 16.929 1.169 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.044 18.365 1.007 1.00 0.00 C ATOM 1894 C ALA A 117 0.533 18.688 -0.370 1.00 0.00 C ATOM 1895 O ALA A 117 1.193 17.848 -0.984 1.00 0.00 O ATOM 1896 CB ALA A 117 0.866 18.900 2.103 1.00 0.00 C ATOM 0 H ALA A 117 0.614 16.412 1.389 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.016 18.851 1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.002 19.973 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.415 18.709 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.834 18.402 2.048 1.00 0.00 H new ATOM 1902 N PRO A 118 0.292 19.911 -0.877 1.00 0.00 N ATOM 1903 CA PRO A 118 0.795 20.335 -2.189 1.00 0.00 C ATOM 1904 C PRO A 118 2.311 20.499 -2.203 1.00 0.00 C ATOM 1905 O PRO A 118 2.929 20.740 -1.166 1.00 0.00 O ATOM 1906 CB PRO A 118 0.109 21.684 -2.418 1.00 0.00 C ATOM 1907 CG PRO A 118 -0.194 22.191 -1.051 1.00 0.00 C ATOM 1908 CD PRO A 118 -0.486 20.976 -0.214 1.00 0.00 C ATOM 0 HA PRO A 118 0.581 19.598 -2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 118 0.758 22.371 -2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -0.800 21.571 -3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 118 0.650 22.750 -0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.048 22.869 -1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -0.175 21.116 0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.551 20.745 -0.198 1.00 0.00 H new ATOM 1916 N LYS A 119 2.904 20.369 -3.386 1.00 0.00 N ATOM 1917 CA LYS A 119 4.348 20.503 -3.537 1.00 0.00 C ATOM 1918 C LYS A 119 4.693 21.703 -4.415 1.00 0.00 C ATOM 1919 O LYS A 119 5.382 22.626 -3.978 1.00 0.00 O ATOM 1920 CB LYS A 119 4.940 19.228 -4.142 1.00 0.00 C ATOM 1921 CG LYS A 119 6.458 19.174 -4.084 1.00 0.00 C ATOM 1922 CD LYS A 119 7.009 18.060 -4.957 1.00 0.00 C ATOM 1923 CE LYS A 119 8.503 17.871 -4.743 1.00 0.00 C ATOM 1924 NZ LYS A 119 9.016 16.662 -5.446 1.00 0.00 N ATOM 0 H LYS A 119 2.406 20.171 -4.254 1.00 0.00 H new ATOM 0 HA LYS A 119 4.779 20.661 -2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.534 18.364 -3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.621 19.147 -5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.870 20.130 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 119 6.779 19.022 -3.053 1.00 0.00 H new ATOM 0 HD2 LYS A 119 6.488 17.129 -4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 119 6.817 18.289 -6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.035 18.752 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.709 17.785 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.038 16.569 -5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 8.526 15.818 -5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.843 16.755 -6.467 1.00 0.00 H new ATOM 1938 N ASP A 120 4.210 21.683 -5.652 1.00 0.00 N ATOM 1939 CA ASP A 120 4.468 22.769 -6.592 1.00 0.00 C ATOM 1940 C ASP A 120 3.631 23.997 -6.245 1.00 0.00 C ATOM 1941 O ASP A 120 4.110 24.921 -5.588 1.00 0.00 O ATOM 1942 CB ASP A 120 4.163 22.318 -8.021 1.00 0.00 C ATOM 1943 CG ASP A 120 5.397 21.818 -8.745 1.00 0.00 C ATOM 1944 OD1 ASP A 120 6.106 22.649 -9.353 1.00 0.00 O ATOM 1945 OD2 ASP A 120 5.657 20.598 -8.705 1.00 0.00 O ATOM 0 H ASP A 120 3.638 20.927 -6.028 1.00 0.00 H new ATOM 0 HA ASP A 120 5.522 23.036 -6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 120 3.414 21.527 -7.997 1.00 0.00 H new ATOM 0 HB3 ASP A 120 3.731 23.150 -8.577 1.00 0.00 H new TER 1950 ASP A 120