USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 596 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 Single : A 1 MET CE :methyl 146:sc= -0.148 (180deg=-0.973) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.0816 (180deg=-0.022) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 47:sc= 0.857 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.618 X(o=-0.62,f=-0.13) USER MOD Single : A 32 THR OG1 : rot -55:sc= 0.443 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.831 K(o=-0.83,f=-3.7!) USER MOD Single : A 43 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.47) USER MOD Single : A 47 THR OG1 : rot -105:sc= 0.888 USER MOD Single : A 50 ASN : amide:sc=-0.00899 X(o=-0.009,f=-0.46) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= -0.0435 (180deg=-0.0716) USER MOD Single : A 60 TYR OH : rot 87:sc= 0.804 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -32.533 8.090 -4.659 1.00 0.00 N ATOM 2 CA MET A 1 -32.221 8.597 -3.293 1.00 0.00 C ATOM 3 C MET A 1 -33.018 7.800 -2.260 1.00 0.00 C ATOM 4 O MET A 1 -33.982 7.136 -2.583 1.00 0.00 O ATOM 5 CB MET A 1 -32.601 10.078 -3.200 1.00 0.00 C ATOM 6 CG MET A 1 -31.365 10.938 -3.472 1.00 0.00 C ATOM 7 SD MET A 1 -31.476 11.643 -5.136 1.00 0.00 S ATOM 8 CE MET A 1 -30.220 10.597 -5.913 1.00 0.00 C ATOM 0 H1 MET A 1 -31.743 7.507 -5.002 1.00 0.00 H new ATOM 0 H2 MET A 1 -33.399 7.515 -4.627 1.00 0.00 H new ATOM 0 H3 MET A 1 -32.675 8.894 -5.304 1.00 0.00 H new ATOM 0 HA MET A 1 -31.155 8.482 -3.097 1.00 0.00 H new ATOM 0 HB2 MET A 1 -33.385 10.310 -3.921 1.00 0.00 H new ATOM 0 HB3 MET A 1 -33.002 10.301 -2.211 1.00 0.00 H new ATOM 0 HG2 MET A 1 -31.293 11.735 -2.732 1.00 0.00 H new ATOM 0 HG3 MET A 1 -30.462 10.335 -3.380 1.00 0.00 H new ATOM 0 HE1 MET A 1 -30.500 10.399 -6.948 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.257 11.106 -5.889 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.146 9.654 -5.371 1.00 0.00 H new ATOM 20 N SER A 2 -32.622 7.856 -1.018 1.00 0.00 N ATOM 21 CA SER A 2 -33.357 7.098 0.033 1.00 0.00 C ATOM 22 C SER A 2 -33.524 5.644 -0.414 1.00 0.00 C ATOM 23 O SER A 2 -32.961 5.221 -1.404 1.00 0.00 O ATOM 24 CB SER A 2 -34.733 7.729 0.247 1.00 0.00 C ATOM 25 OG SER A 2 -34.572 9.052 0.742 1.00 0.00 O ATOM 0 H SER A 2 -31.821 8.394 -0.686 1.00 0.00 H new ATOM 0 HA SER A 2 -32.795 7.129 0.967 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.288 7.744 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.313 7.133 0.951 1.00 0.00 H new ATOM 0 HG SER A 2 -35.453 9.460 0.879 1.00 0.00 H new ATOM 31 N ARG A 3 -34.293 4.875 0.307 1.00 0.00 N ATOM 32 CA ARG A 3 -34.491 3.450 -0.079 1.00 0.00 C ATOM 33 C ARG A 3 -33.193 2.676 0.152 1.00 0.00 C ATOM 34 O ARG A 3 -32.185 2.936 -0.474 1.00 0.00 O ATOM 35 CB ARG A 3 -34.872 3.370 -1.559 1.00 0.00 C ATOM 36 CG ARG A 3 -35.823 4.518 -1.902 1.00 0.00 C ATOM 37 CD ARG A 3 -37.119 3.950 -2.482 1.00 0.00 C ATOM 38 NE ARG A 3 -38.009 3.511 -1.370 1.00 0.00 N ATOM 39 CZ ARG A 3 -39.196 4.038 -1.237 1.00 0.00 C ATOM 40 NH1 ARG A 3 -40.259 3.320 -1.471 1.00 0.00 N ATOM 41 NH2 ARG A 3 -39.318 5.283 -0.866 1.00 0.00 N ATOM 0 H ARG A 3 -34.792 5.172 1.146 1.00 0.00 H new ATOM 0 HA ARG A 3 -35.288 3.017 0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -33.978 3.426 -2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -35.348 2.413 -1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -36.038 5.105 -1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -35.354 5.190 -2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -37.621 4.705 -3.088 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -36.898 3.109 -3.139 1.00 0.00 H new ATOM 0 HE ARG A 3 -37.691 2.799 -0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -40.163 2.346 -1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -41.186 3.732 -1.367 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -38.486 5.844 -0.680 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -40.245 5.696 -0.762 1.00 0.00 H new ATOM 55 N SER A 4 -33.207 1.728 1.048 1.00 0.00 N ATOM 56 CA SER A 4 -31.970 0.944 1.316 1.00 0.00 C ATOM 57 C SER A 4 -32.250 -0.109 2.394 1.00 0.00 C ATOM 58 O SER A 4 -32.335 0.216 3.562 1.00 0.00 O ATOM 59 CB SER A 4 -30.870 1.887 1.805 1.00 0.00 C ATOM 60 OG SER A 4 -30.179 2.426 0.686 1.00 0.00 O ATOM 0 H SER A 4 -34.020 1.463 1.605 1.00 0.00 H new ATOM 0 HA SER A 4 -31.650 0.448 0.400 1.00 0.00 H new ATOM 0 HB2 SER A 4 -31.303 2.691 2.401 1.00 0.00 H new ATOM 0 HB3 SER A 4 -30.176 1.350 2.451 1.00 0.00 H new ATOM 0 HG SER A 4 -30.827 2.743 0.023 1.00 0.00 H new ATOM 66 N PRO A 5 -32.379 -1.343 1.975 1.00 0.00 N ATOM 67 CA PRO A 5 -32.644 -2.464 2.895 1.00 0.00 C ATOM 68 C PRO A 5 -31.364 -2.850 3.642 1.00 0.00 C ATOM 69 O PRO A 5 -31.408 -3.368 4.740 1.00 0.00 O ATOM 70 CB PRO A 5 -33.102 -3.592 1.966 1.00 0.00 C ATOM 71 CG PRO A 5 -32.545 -3.253 0.563 1.00 0.00 C ATOM 72 CD PRO A 5 -32.271 -1.738 0.555 1.00 0.00 C ATOM 0 HA PRO A 5 -33.383 -2.229 3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -32.727 -4.556 2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -34.190 -3.662 1.946 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -31.632 -3.813 0.363 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -33.261 -3.522 -0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -31.283 -1.514 0.153 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -32.994 -1.206 -0.063 1.00 0.00 H new ATOM 80 N ASP A 6 -30.227 -2.598 3.056 1.00 0.00 N ATOM 81 CA ASP A 6 -28.946 -2.945 3.732 1.00 0.00 C ATOM 82 C ASP A 6 -28.153 -1.663 4.004 1.00 0.00 C ATOM 83 O ASP A 6 -28.673 -0.570 3.912 1.00 0.00 O ATOM 84 CB ASP A 6 -28.125 -3.869 2.829 1.00 0.00 C ATOM 85 CG ASP A 6 -27.913 -5.218 3.522 1.00 0.00 C ATOM 86 OD1 ASP A 6 -28.249 -5.323 4.689 1.00 0.00 O ATOM 87 OD2 ASP A 6 -27.415 -6.122 2.872 1.00 0.00 O ATOM 0 H ASP A 6 -30.129 -2.166 2.137 1.00 0.00 H new ATOM 0 HA ASP A 6 -29.157 -3.452 4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -28.639 -4.015 1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -27.162 -3.411 2.603 1.00 0.00 H new ATOM 92 N ALA A 7 -26.897 -1.789 4.335 1.00 0.00 N ATOM 93 CA ALA A 7 -26.077 -0.576 4.610 1.00 0.00 C ATOM 94 C ALA A 7 -24.685 -0.752 3.999 1.00 0.00 C ATOM 95 O ALA A 7 -23.792 0.039 4.225 1.00 0.00 O ATOM 96 CB ALA A 7 -25.947 -0.376 6.120 1.00 0.00 C ATOM 0 H ALA A 7 -26.404 -2.677 4.427 1.00 0.00 H new ATOM 0 HA ALA A 7 -26.562 0.295 4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -25.347 0.512 6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -26.938 -0.250 6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -25.464 -1.247 6.562 1.00 0.00 H new ATOM 102 N LYS A 8 -24.494 -1.785 3.225 1.00 0.00 N ATOM 103 CA LYS A 8 -23.161 -2.011 2.602 1.00 0.00 C ATOM 104 C LYS A 8 -23.148 -1.405 1.197 1.00 0.00 C ATOM 105 O LYS A 8 -24.058 -0.703 0.803 1.00 0.00 O ATOM 106 CB LYS A 8 -22.886 -3.513 2.516 1.00 0.00 C ATOM 107 CG LYS A 8 -22.888 -4.115 3.924 1.00 0.00 C ATOM 108 CD LYS A 8 -22.533 -5.602 3.845 1.00 0.00 C ATOM 109 CE LYS A 8 -23.129 -6.334 5.050 1.00 0.00 C ATOM 110 NZ LYS A 8 -22.155 -6.311 6.177 1.00 0.00 N ATOM 0 H LYS A 8 -25.204 -2.482 2.998 1.00 0.00 H new ATOM 0 HA LYS A 8 -22.389 -1.537 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -23.644 -3.998 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -21.924 -3.690 2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -22.170 -3.592 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -23.868 -3.988 4.384 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -22.918 -6.030 2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -21.450 -5.728 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -24.062 -5.859 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -23.367 -7.363 4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.560 -6.808 6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.275 -6.783 5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.949 -5.326 6.438 1.00 0.00 H new ATOM 124 N GLU A 9 -22.120 -1.669 0.437 1.00 0.00 N ATOM 125 CA GLU A 9 -22.045 -1.106 -0.940 1.00 0.00 C ATOM 126 C GLU A 9 -21.794 0.401 -0.863 1.00 0.00 C ATOM 127 O GLU A 9 -22.711 1.187 -0.735 1.00 0.00 O ATOM 128 CB GLU A 9 -23.362 -1.366 -1.676 1.00 0.00 C ATOM 129 CG GLU A 9 -23.068 -1.968 -3.051 1.00 0.00 C ATOM 130 CD GLU A 9 -22.440 -0.904 -3.952 1.00 0.00 C ATOM 131 OE1 GLU A 9 -22.918 0.218 -3.933 1.00 0.00 O ATOM 132 OE2 GLU A 9 -21.491 -1.229 -4.648 1.00 0.00 O ATOM 0 H GLU A 9 -21.328 -2.251 0.711 1.00 0.00 H new ATOM 0 HA GLU A 9 -21.228 -1.584 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -23.987 -2.045 -1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -23.919 -0.436 -1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -22.393 -2.818 -2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -23.988 -2.342 -3.500 1.00 0.00 H new ATOM 139 N ASP A 10 -20.557 0.805 -0.944 1.00 0.00 N ATOM 140 CA ASP A 10 -20.238 2.258 -0.877 1.00 0.00 C ATOM 141 C ASP A 10 -18.748 2.434 -0.563 1.00 0.00 C ATOM 142 O ASP A 10 -18.039 3.099 -1.291 1.00 0.00 O ATOM 143 CB ASP A 10 -21.078 2.924 0.214 1.00 0.00 C ATOM 144 CG ASP A 10 -22.168 3.786 -0.426 1.00 0.00 C ATOM 145 OD1 ASP A 10 -22.105 3.993 -1.627 1.00 0.00 O ATOM 146 OD2 ASP A 10 -23.050 4.224 0.295 1.00 0.00 O ATOM 0 H ASP A 10 -19.751 0.190 -1.054 1.00 0.00 H new ATOM 0 HA ASP A 10 -20.467 2.725 -1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -21.530 2.165 0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -20.442 3.539 0.851 1.00 0.00 H new ATOM 151 N PRO A 11 -18.314 1.821 0.512 1.00 0.00 N ATOM 152 CA PRO A 11 -16.907 1.885 0.945 1.00 0.00 C ATOM 153 C PRO A 11 -16.055 0.931 0.102 1.00 0.00 C ATOM 154 O PRO A 11 -16.489 -0.143 -0.262 1.00 0.00 O ATOM 155 CB PRO A 11 -16.958 1.427 2.404 1.00 0.00 C ATOM 156 CG PRO A 11 -18.257 0.600 2.557 1.00 0.00 C ATOM 157 CD PRO A 11 -19.181 1.013 1.396 1.00 0.00 C ATOM 0 HA PRO A 11 -16.464 2.875 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.083 0.826 2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.960 2.282 3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -18.043 -0.468 2.521 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -18.731 0.797 3.518 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -19.580 0.142 0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -20.035 1.590 1.752 1.00 0.00 H new ATOM 165 N VAL A 12 -14.848 1.314 -0.212 1.00 0.00 N ATOM 166 CA VAL A 12 -13.976 0.426 -1.031 1.00 0.00 C ATOM 167 C VAL A 12 -13.820 -0.928 -0.334 1.00 0.00 C ATOM 168 O VAL A 12 -14.097 -1.068 0.841 1.00 0.00 O ATOM 169 CB VAL A 12 -12.601 1.073 -1.197 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.883 0.448 -2.394 1.00 0.00 C ATOM 171 CG2 VAL A 12 -12.772 2.575 -1.434 1.00 0.00 C ATOM 0 H VAL A 12 -14.428 2.202 0.063 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.431 0.279 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.011 0.910 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.903 0.910 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.762 -0.622 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.472 0.611 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.793 3.038 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.361 2.736 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.284 3.022 -0.582 1.00 0.00 H new ATOM 181 N GLU A 13 -13.374 -1.927 -1.049 1.00 0.00 N ATOM 182 CA GLU A 13 -13.194 -3.272 -0.430 1.00 0.00 C ATOM 183 C GLU A 13 -11.961 -3.945 -1.035 1.00 0.00 C ATOM 184 O GLU A 13 -11.757 -3.916 -2.232 1.00 0.00 O ATOM 185 CB GLU A 13 -14.427 -4.134 -0.708 1.00 0.00 C ATOM 186 CG GLU A 13 -15.486 -3.884 0.368 1.00 0.00 C ATOM 187 CD GLU A 13 -16.816 -3.524 -0.297 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.940 -2.401 -0.760 1.00 0.00 O ATOM 189 OE2 GLU A 13 -17.688 -4.376 -0.333 1.00 0.00 O ATOM 0 H GLU A 13 -13.126 -1.869 -2.037 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.063 -3.162 0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.832 -3.899 -1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.150 -5.188 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.606 -4.772 0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.167 -3.076 1.027 1.00 0.00 H new ATOM 196 N CYS A 14 -11.137 -4.553 -0.223 1.00 0.00 N ATOM 197 CA CYS A 14 -9.923 -5.228 -0.763 1.00 0.00 C ATOM 198 C CYS A 14 -10.304 -6.013 -2.024 1.00 0.00 C ATOM 199 O CYS A 14 -10.947 -7.040 -1.936 1.00 0.00 O ATOM 200 CB CYS A 14 -9.361 -6.192 0.287 1.00 0.00 C ATOM 201 SG CYS A 14 -7.604 -6.484 -0.044 1.00 0.00 S ATOM 0 H CYS A 14 -11.253 -4.611 0.789 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.168 -4.481 -1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.490 -5.775 1.286 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.909 -7.134 0.262 1.00 0.00 H new ATOM 206 N PRO A 15 -9.905 -5.502 -3.164 1.00 0.00 N ATOM 207 CA PRO A 15 -10.199 -6.134 -4.463 1.00 0.00 C ATOM 208 C PRO A 15 -9.235 -7.293 -4.733 1.00 0.00 C ATOM 209 O PRO A 15 -9.148 -7.793 -5.837 1.00 0.00 O ATOM 210 CB PRO A 15 -9.970 -5.003 -5.470 1.00 0.00 C ATOM 211 CG PRO A 15 -9.027 -3.989 -4.780 1.00 0.00 C ATOM 212 CD PRO A 15 -9.129 -4.249 -3.265 1.00 0.00 C ATOM 0 HA PRO A 15 -11.203 -6.555 -4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.524 -5.385 -6.389 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.913 -4.531 -5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.001 -4.117 -5.126 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.319 -2.966 -5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.143 -4.353 -2.812 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.630 -3.428 -2.753 1.00 0.00 H new ATOM 220 N LEU A 16 -8.503 -7.721 -3.740 1.00 0.00 N ATOM 221 CA LEU A 16 -7.545 -8.840 -3.955 1.00 0.00 C ATOM 222 C LEU A 16 -7.912 -10.012 -3.041 1.00 0.00 C ATOM 223 O LEU A 16 -7.573 -11.148 -3.308 1.00 0.00 O ATOM 224 CB LEU A 16 -6.128 -8.354 -3.644 1.00 0.00 C ATOM 225 CG LEU A 16 -5.906 -6.988 -4.303 1.00 0.00 C ATOM 226 CD1 LEU A 16 -5.255 -6.035 -3.303 1.00 0.00 C ATOM 227 CD2 LEU A 16 -4.991 -7.150 -5.518 1.00 0.00 C ATOM 0 H LEU A 16 -8.528 -7.345 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.592 -9.173 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.985 -8.278 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.396 -9.072 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.866 -6.581 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.098 -5.065 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.906 -5.917 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.296 -6.442 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.833 -6.179 -5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.032 -7.559 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.455 -7.828 -6.235 1.00 0.00 H new ATOM 239 N CYS A 17 -8.616 -9.750 -1.972 1.00 0.00 N ATOM 240 CA CYS A 17 -9.014 -10.855 -1.052 1.00 0.00 C ATOM 241 C CYS A 17 -10.477 -10.660 -0.632 1.00 0.00 C ATOM 242 O CYS A 17 -10.998 -11.381 0.195 1.00 0.00 O ATOM 243 CB CYS A 17 -8.090 -10.862 0.180 1.00 0.00 C ATOM 244 SG CYS A 17 -8.692 -9.709 1.446 1.00 0.00 S ATOM 0 H CYS A 17 -8.932 -8.820 -1.696 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.918 -11.815 -1.560 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.037 -11.869 0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.078 -10.586 -0.117 1.00 0.00 H new ATOM 249 N MET A 18 -11.137 -9.684 -1.196 1.00 0.00 N ATOM 250 CA MET A 18 -12.557 -9.429 -0.838 1.00 0.00 C ATOM 251 C MET A 18 -12.664 -9.085 0.651 1.00 0.00 C ATOM 252 O MET A 18 -12.503 -9.930 1.508 1.00 0.00 O ATOM 253 CB MET A 18 -13.394 -10.673 -1.139 1.00 0.00 C ATOM 254 CG MET A 18 -14.409 -10.351 -2.237 1.00 0.00 C ATOM 255 SD MET A 18 -14.791 -11.856 -3.167 1.00 0.00 S ATOM 256 CE MET A 18 -16.586 -11.818 -2.933 1.00 0.00 C ATOM 0 H MET A 18 -10.748 -9.050 -1.894 1.00 0.00 H new ATOM 0 HA MET A 18 -12.930 -8.591 -1.427 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.748 -11.492 -1.455 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.910 -11.004 -0.238 1.00 0.00 H new ATOM 0 HG2 MET A 18 -15.319 -9.942 -1.797 1.00 0.00 H new ATOM 0 HG3 MET A 18 -14.008 -9.590 -2.906 1.00 0.00 H new ATOM 0 HE1 MET A 18 -17.037 -12.674 -3.435 1.00 0.00 H new ATOM 0 HE2 MET A 18 -16.815 -11.860 -1.868 1.00 0.00 H new ATOM 0 HE3 MET A 18 -16.989 -10.897 -3.355 1.00 0.00 H new ATOM 266 N GLU A 19 -12.938 -7.845 0.962 1.00 0.00 N ATOM 267 CA GLU A 19 -13.058 -7.436 2.391 1.00 0.00 C ATOM 268 C GLU A 19 -13.499 -5.968 2.461 1.00 0.00 C ATOM 269 O GLU A 19 -13.103 -5.167 1.639 1.00 0.00 O ATOM 270 CB GLU A 19 -11.704 -7.600 3.084 1.00 0.00 C ATOM 271 CG GLU A 19 -11.809 -8.680 4.163 1.00 0.00 C ATOM 272 CD GLU A 19 -10.405 -9.106 4.600 1.00 0.00 C ATOM 273 OE1 GLU A 19 -9.820 -8.405 5.409 1.00 0.00 O ATOM 274 OE2 GLU A 19 -9.940 -10.125 4.119 1.00 0.00 O ATOM 0 H GLU A 19 -13.084 -7.096 0.285 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.796 -8.062 2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.941 -7.873 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.395 -6.655 3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.368 -8.301 5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.358 -9.540 3.779 1.00 0.00 H new ATOM 281 N PRO A 20 -14.313 -5.659 3.440 1.00 0.00 N ATOM 282 CA PRO A 20 -14.834 -4.293 3.640 1.00 0.00 C ATOM 283 C PRO A 20 -13.786 -3.401 4.314 1.00 0.00 C ATOM 284 O PRO A 20 -13.317 -3.689 5.398 1.00 0.00 O ATOM 285 CB PRO A 20 -16.038 -4.502 4.561 1.00 0.00 C ATOM 286 CG PRO A 20 -15.805 -5.849 5.285 1.00 0.00 C ATOM 287 CD PRO A 20 -14.793 -6.640 4.433 1.00 0.00 C ATOM 0 HA PRO A 20 -15.092 -3.797 2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.125 -3.686 5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.966 -4.524 3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.420 -5.686 6.291 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.740 -6.400 5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.974 -7.024 5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.262 -7.498 3.951 1.00 0.00 H new ATOM 295 N LEU A 21 -13.425 -2.315 3.686 1.00 0.00 N ATOM 296 CA LEU A 21 -12.418 -1.400 4.293 1.00 0.00 C ATOM 297 C LEU A 21 -13.137 -0.324 5.108 1.00 0.00 C ATOM 298 O LEU A 21 -14.080 0.287 4.647 1.00 0.00 O ATOM 299 CB LEU A 21 -11.604 -0.725 3.189 1.00 0.00 C ATOM 300 CG LEU A 21 -10.822 -1.778 2.405 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.815 -1.407 0.921 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.385 -1.825 2.923 1.00 0.00 C ATOM 0 H LEU A 21 -13.785 -2.022 2.778 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.754 -1.975 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.267 -0.177 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.918 0.002 3.623 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.291 -2.754 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.257 -2.158 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.840 -1.366 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.343 -0.433 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.822 -2.575 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.918 -0.849 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.388 -2.085 3.982 1.00 0.00 H new ATOM 314 N GLU A 22 -12.695 -0.079 6.311 1.00 0.00 N ATOM 315 CA GLU A 22 -13.354 0.968 7.141 1.00 0.00 C ATOM 316 C GLU A 22 -13.072 2.340 6.525 1.00 0.00 C ATOM 317 O GLU A 22 -12.752 2.448 5.360 1.00 0.00 O ATOM 318 CB GLU A 22 -12.796 0.919 8.565 1.00 0.00 C ATOM 319 CG GLU A 22 -13.053 -0.464 9.169 1.00 0.00 C ATOM 320 CD GLU A 22 -13.534 -0.310 10.613 1.00 0.00 C ATOM 321 OE1 GLU A 22 -13.520 0.806 11.105 1.00 0.00 O ATOM 322 OE2 GLU A 22 -13.908 -1.311 11.202 1.00 0.00 O ATOM 0 H GLU A 22 -11.910 -0.556 6.753 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.429 0.792 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.727 1.130 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.267 1.688 9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.800 -0.996 8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.141 -1.060 9.140 1.00 0.00 H new ATOM 329 N ILE A 23 -13.183 3.387 7.295 1.00 0.00 N ATOM 330 CA ILE A 23 -12.916 4.744 6.740 1.00 0.00 C ATOM 331 C ILE A 23 -11.408 5.007 6.754 1.00 0.00 C ATOM 332 O ILE A 23 -10.836 5.446 5.776 1.00 0.00 O ATOM 333 CB ILE A 23 -13.636 5.794 7.594 1.00 0.00 C ATOM 334 CG1 ILE A 23 -15.135 5.758 7.288 1.00 0.00 C ATOM 335 CG2 ILE A 23 -13.085 7.186 7.274 1.00 0.00 C ATOM 336 CD1 ILE A 23 -15.372 6.184 5.836 1.00 0.00 C ATOM 0 H ILE A 23 -13.446 3.362 8.280 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.283 4.803 5.715 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.472 5.575 8.649 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -15.526 4.754 7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.671 6.423 7.965 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.599 7.930 7.883 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.017 7.214 7.492 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.246 7.407 6.219 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -16.440 6.158 5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.996 7.196 5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.849 5.501 5.166 1.00 0.00 H new ATOM 348 N ASP A 24 -10.761 4.743 7.855 1.00 0.00 N ATOM 349 CA ASP A 24 -9.291 4.977 7.935 1.00 0.00 C ATOM 350 C ASP A 24 -8.548 3.846 7.217 1.00 0.00 C ATOM 351 O ASP A 24 -7.349 3.900 7.030 1.00 0.00 O ATOM 352 CB ASP A 24 -8.857 5.016 9.403 1.00 0.00 C ATOM 353 CG ASP A 24 -7.992 6.254 9.648 1.00 0.00 C ATOM 354 OD1 ASP A 24 -8.314 7.296 9.100 1.00 0.00 O ATOM 355 OD2 ASP A 24 -7.024 6.140 10.380 1.00 0.00 O ATOM 0 H ASP A 24 -11.187 4.374 8.705 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.053 5.928 7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.733 5.037 10.052 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.298 4.114 9.652 1.00 0.00 H new ATOM 360 N ASP A 25 -9.248 2.819 6.817 1.00 0.00 N ATOM 361 CA ASP A 25 -8.574 1.687 6.118 1.00 0.00 C ATOM 362 C ASP A 25 -8.512 1.970 4.615 1.00 0.00 C ATOM 363 O ASP A 25 -7.605 1.539 3.931 1.00 0.00 O ATOM 364 CB ASP A 25 -9.361 0.398 6.358 1.00 0.00 C ATOM 365 CG ASP A 25 -9.069 -0.123 7.766 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.905 -0.312 8.076 1.00 0.00 O ATOM 367 OD2 ASP A 25 -10.015 -0.323 8.510 1.00 0.00 O ATOM 0 H ASP A 25 -10.255 2.715 6.943 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.562 1.577 6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.429 0.584 6.242 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.086 -0.352 5.617 1.00 0.00 H new ATOM 372 N ILE A 26 -9.469 2.686 4.091 1.00 0.00 N ATOM 373 CA ILE A 26 -9.459 2.984 2.631 1.00 0.00 C ATOM 374 C ILE A 26 -8.069 3.475 2.214 1.00 0.00 C ATOM 375 O ILE A 26 -7.558 3.107 1.174 1.00 0.00 O ATOM 376 CB ILE A 26 -10.497 4.067 2.326 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.903 3.497 2.529 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.340 4.529 0.876 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.941 4.543 2.119 1.00 0.00 C ATOM 0 H ILE A 26 -10.256 3.077 4.610 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.702 2.079 2.075 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.347 4.913 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -12.029 2.592 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.046 3.216 3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.079 5.300 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.339 4.934 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.491 3.682 0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.943 4.138 2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.819 5.436 2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.802 4.802 1.069 1.00 0.00 H new ATOM 391 N ASN A 27 -7.452 4.299 3.015 1.00 0.00 N ATOM 392 CA ASN A 27 -6.094 4.809 2.663 1.00 0.00 C ATOM 393 C ASN A 27 -5.035 3.841 3.194 1.00 0.00 C ATOM 394 O ASN A 27 -4.194 4.202 3.992 1.00 0.00 O ATOM 395 CB ASN A 27 -5.889 6.185 3.297 1.00 0.00 C ATOM 396 CG ASN A 27 -4.769 6.924 2.561 1.00 0.00 C ATOM 397 OD1 ASN A 27 -3.648 6.972 3.028 1.00 0.00 O ATOM 398 ND2 ASN A 27 -5.027 7.506 1.421 1.00 0.00 N ATOM 0 H ASN A 27 -7.828 4.642 3.899 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.003 4.890 1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.813 6.761 3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.636 6.077 4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.288 8.001 0.922 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.968 7.466 1.029 1.00 0.00 H new ATOM 405 N PHE A 28 -5.073 2.610 2.759 1.00 0.00 N ATOM 406 CA PHE A 28 -4.072 1.619 3.240 1.00 0.00 C ATOM 407 C PHE A 28 -3.364 0.982 2.043 1.00 0.00 C ATOM 408 O PHE A 28 -3.608 -0.159 1.702 1.00 0.00 O ATOM 409 CB PHE A 28 -4.780 0.529 4.048 1.00 0.00 C ATOM 410 CG PHE A 28 -3.786 -0.155 4.958 1.00 0.00 C ATOM 411 CD1 PHE A 28 -2.641 -0.757 4.421 1.00 0.00 C ATOM 412 CD2 PHE A 28 -4.010 -0.188 6.339 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.722 -1.392 5.264 1.00 0.00 C ATOM 414 CE2 PHE A 28 -3.091 -0.822 7.183 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.947 -1.424 6.646 1.00 0.00 C ATOM 0 H PHE A 28 -5.755 2.249 2.091 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.339 2.124 3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.587 0.965 4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.234 -0.199 3.376 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.467 -0.731 3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.893 0.276 6.754 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.840 -1.857 4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.264 -0.847 8.249 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.238 -1.913 7.297 1.00 0.00 H new ATOM 425 N PHE A 29 -2.484 1.703 1.404 1.00 0.00 N ATOM 426 CA PHE A 29 -1.760 1.125 0.237 1.00 0.00 C ATOM 427 C PHE A 29 -0.293 0.914 0.611 1.00 0.00 C ATOM 428 O PHE A 29 0.328 1.791 1.176 1.00 0.00 O ATOM 429 CB PHE A 29 -1.836 2.084 -0.955 1.00 0.00 C ATOM 430 CG PHE A 29 -1.745 3.508 -0.467 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.513 4.035 -0.054 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.896 4.299 -0.423 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.439 5.357 0.405 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.823 5.618 0.036 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.594 6.147 0.451 1.00 0.00 C ATOM 0 H PHE A 29 -2.236 2.664 1.639 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.220 0.175 -0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.026 1.876 -1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.770 1.934 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.377 3.424 -0.090 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.843 3.891 -0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.508 5.766 0.723 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.713 6.228 0.071 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.537 7.165 0.807 1.00 0.00 H new ATOM 445 N PRO A 30 0.228 -0.234 0.272 1.00 0.00 N ATOM 446 CA PRO A 30 1.630 -0.562 0.548 1.00 0.00 C ATOM 447 C PRO A 30 2.520 0.110 -0.499 1.00 0.00 C ATOM 448 O PRO A 30 3.728 0.033 -0.444 1.00 0.00 O ATOM 449 CB PRO A 30 1.678 -2.085 0.415 1.00 0.00 C ATOM 450 CG PRO A 30 0.474 -2.481 -0.471 1.00 0.00 C ATOM 451 CD PRO A 30 -0.524 -1.308 -0.408 1.00 0.00 C ATOM 0 HA PRO A 30 1.979 -0.224 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.616 -2.406 -0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.615 -2.563 1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.792 -2.664 -1.497 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.014 -3.401 -0.111 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.844 -1.002 -1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.423 -1.578 0.146 1.00 0.00 H new ATOM 459 N CYS A 31 1.924 0.768 -1.458 1.00 0.00 N ATOM 460 CA CYS A 31 2.726 1.444 -2.512 1.00 0.00 C ATOM 461 C CYS A 31 2.090 2.795 -2.848 1.00 0.00 C ATOM 462 O CYS A 31 0.910 3.004 -2.644 1.00 0.00 O ATOM 463 CB CYS A 31 2.756 0.564 -3.761 1.00 0.00 C ATOM 464 SG CYS A 31 3.789 1.344 -5.024 1.00 0.00 S ATOM 0 H CYS A 31 0.913 0.865 -1.554 1.00 0.00 H new ATOM 0 HA CYS A 31 3.743 1.605 -2.155 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.148 -0.423 -3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.745 0.420 -4.141 1.00 0.00 H new ATOM 469 N THR A 32 2.862 3.717 -3.356 1.00 0.00 N ATOM 470 CA THR A 32 2.302 5.055 -3.699 1.00 0.00 C ATOM 471 C THR A 32 1.811 5.059 -5.149 1.00 0.00 C ATOM 472 O THR A 32 2.127 5.948 -5.916 1.00 0.00 O ATOM 473 CB THR A 32 3.388 6.118 -3.526 1.00 0.00 C ATOM 474 OG1 THR A 32 2.824 7.407 -3.728 1.00 0.00 O ATOM 475 CG2 THR A 32 4.501 5.880 -4.547 1.00 0.00 C ATOM 0 H THR A 32 3.857 3.601 -3.548 1.00 0.00 H new ATOM 0 HA THR A 32 1.464 5.274 -3.037 1.00 0.00 H new ATOM 0 HB THR A 32 3.801 6.057 -2.519 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.388 7.439 -4.605 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.275 6.637 -4.424 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.932 4.891 -4.391 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.090 5.942 -5.555 1.00 0.00 H new ATOM 483 N CYS A 33 1.039 4.080 -5.534 1.00 0.00 N ATOM 484 CA CYS A 33 0.529 4.045 -6.935 1.00 0.00 C ATOM 485 C CYS A 33 -0.973 3.750 -6.923 1.00 0.00 C ATOM 486 O CYS A 33 -1.575 3.501 -7.950 1.00 0.00 O ATOM 487 CB CYS A 33 1.267 2.962 -7.730 1.00 0.00 C ATOM 488 SG CYS A 33 0.738 1.323 -7.173 1.00 0.00 S ATOM 0 H CYS A 33 0.740 3.305 -4.942 1.00 0.00 H new ATOM 0 HA CYS A 33 0.703 5.011 -7.408 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.063 3.077 -8.795 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.343 3.071 -7.598 1.00 0.00 H new ATOM 493 N GLY A 34 -1.585 3.787 -5.770 1.00 0.00 N ATOM 494 CA GLY A 34 -3.050 3.520 -5.691 1.00 0.00 C ATOM 495 C GLY A 34 -3.301 2.068 -5.280 1.00 0.00 C ATOM 496 O GLY A 34 -3.924 1.806 -4.275 1.00 0.00 O ATOM 0 H GLY A 34 -1.133 3.991 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.512 4.195 -4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.516 3.718 -6.656 1.00 0.00 H new ATOM 500 N TYR A 35 -2.827 1.123 -6.047 1.00 0.00 N ATOM 501 CA TYR A 35 -3.048 -0.309 -5.689 1.00 0.00 C ATOM 502 C TYR A 35 -2.832 -0.491 -4.180 1.00 0.00 C ATOM 503 O TYR A 35 -1.717 -0.494 -3.698 1.00 0.00 O ATOM 504 CB TYR A 35 -2.064 -1.183 -6.484 1.00 0.00 C ATOM 505 CG TYR A 35 -1.852 -2.513 -5.793 1.00 0.00 C ATOM 506 CD1 TYR A 35 -2.887 -3.456 -5.742 1.00 0.00 C ATOM 507 CD2 TYR A 35 -0.615 -2.799 -5.202 1.00 0.00 C ATOM 508 CE1 TYR A 35 -2.683 -4.684 -5.100 1.00 0.00 C ATOM 509 CE2 TYR A 35 -0.413 -4.026 -4.561 1.00 0.00 C ATOM 510 CZ TYR A 35 -1.446 -4.969 -4.509 1.00 0.00 C ATOM 511 OH TYR A 35 -1.244 -6.178 -3.876 1.00 0.00 O ATOM 0 H TYR A 35 -2.297 1.280 -6.904 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.067 -0.608 -5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.448 -1.348 -7.491 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.111 -0.665 -6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.841 -3.236 -6.197 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.183 -2.072 -5.241 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.480 -5.411 -5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.541 -4.246 -4.106 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.331 -6.213 -3.522 1.00 0.00 H new ATOM 521 N GLN A 36 -3.895 -0.648 -3.433 1.00 0.00 N ATOM 522 CA GLN A 36 -3.749 -0.836 -1.958 1.00 0.00 C ATOM 523 C GLN A 36 -4.236 -2.230 -1.573 1.00 0.00 C ATOM 524 O GLN A 36 -4.666 -3.005 -2.404 1.00 0.00 O ATOM 525 CB GLN A 36 -4.577 0.202 -1.171 1.00 0.00 C ATOM 526 CG GLN A 36 -5.374 1.115 -2.108 1.00 0.00 C ATOM 527 CD GLN A 36 -6.612 1.632 -1.371 1.00 0.00 C ATOM 528 OE1 GLN A 36 -6.965 1.127 -0.324 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.293 2.624 -1.877 1.00 0.00 N ATOM 0 H GLN A 36 -4.854 -0.654 -3.779 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.695 -0.709 -1.709 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.260 -0.313 -0.496 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.912 0.805 -0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.755 1.950 -2.435 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.670 0.568 -3.003 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.998 3.049 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.120 2.974 -1.393 1.00 0.00 H new ATOM 538 N ILE A 37 -4.182 -2.548 -0.310 1.00 0.00 N ATOM 539 CA ILE A 37 -4.650 -3.883 0.149 1.00 0.00 C ATOM 540 C ILE A 37 -5.213 -3.744 1.563 1.00 0.00 C ATOM 541 O ILE A 37 -5.081 -2.713 2.192 1.00 0.00 O ATOM 542 CB ILE A 37 -3.483 -4.872 0.149 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.181 -4.137 0.481 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.361 -5.516 -1.234 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.118 -5.156 0.897 1.00 0.00 C ATOM 0 H ILE A 37 -3.832 -1.936 0.427 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.423 -4.256 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.665 -5.642 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.839 -3.570 -0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.349 -3.421 1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.530 -6.221 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.284 -6.044 -1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.182 -4.743 -1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.189 -4.637 1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.462 -5.703 1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.944 -5.855 0.079 1.00 0.00 H new ATOM 557 N CYS A 38 -5.841 -4.765 2.071 1.00 0.00 N ATOM 558 CA CYS A 38 -6.408 -4.674 3.443 1.00 0.00 C ATOM 559 C CYS A 38 -5.304 -4.964 4.461 1.00 0.00 C ATOM 560 O CYS A 38 -4.209 -5.347 4.106 1.00 0.00 O ATOM 561 CB CYS A 38 -7.551 -5.681 3.597 1.00 0.00 C ATOM 562 SG CYS A 38 -6.882 -7.360 3.658 1.00 0.00 S ATOM 0 H CYS A 38 -5.986 -5.657 1.597 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.801 -3.672 3.615 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.114 -5.470 4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.246 -5.587 2.763 1.00 0.00 H new ATOM 567 N ARG A 39 -5.576 -4.772 5.722 1.00 0.00 N ATOM 568 CA ARG A 39 -4.531 -5.024 6.755 1.00 0.00 C ATOM 569 C ARG A 39 -4.098 -6.491 6.719 1.00 0.00 C ATOM 570 O ARG A 39 -2.972 -6.821 7.035 1.00 0.00 O ATOM 571 CB ARG A 39 -5.097 -4.690 8.136 1.00 0.00 C ATOM 572 CG ARG A 39 -5.146 -3.171 8.308 1.00 0.00 C ATOM 573 CD ARG A 39 -4.534 -2.789 9.657 1.00 0.00 C ATOM 574 NE ARG A 39 -5.237 -3.527 10.743 1.00 0.00 N ATOM 575 CZ ARG A 39 -4.925 -3.306 11.990 1.00 0.00 C ATOM 576 NH1 ARG A 39 -3.688 -3.048 12.318 1.00 0.00 N ATOM 577 NH2 ARG A 39 -5.848 -3.346 12.911 1.00 0.00 N ATOM 0 H ARG A 39 -6.475 -4.452 6.082 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.664 -4.396 6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.096 -5.112 8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.477 -5.136 8.914 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.601 -2.685 7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.177 -2.821 8.253 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.471 -3.029 9.668 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.620 -1.714 9.817 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.963 -4.205 10.511 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.965 -3.019 11.599 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.444 -2.875 13.293 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.814 -3.550 12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.603 -3.173 13.886 1.00 0.00 H new ATOM 591 N PHE A 40 -4.976 -7.374 6.337 1.00 0.00 N ATOM 592 CA PHE A 40 -4.608 -8.818 6.284 1.00 0.00 C ATOM 593 C PHE A 40 -3.783 -9.093 5.024 1.00 0.00 C ATOM 594 O PHE A 40 -3.080 -10.079 4.933 1.00 0.00 O ATOM 595 CB PHE A 40 -5.883 -9.663 6.253 1.00 0.00 C ATOM 596 CG PHE A 40 -5.536 -11.117 6.468 1.00 0.00 C ATOM 597 CD1 PHE A 40 -4.684 -11.489 7.515 1.00 0.00 C ATOM 598 CD2 PHE A 40 -6.068 -12.095 5.618 1.00 0.00 C ATOM 599 CE1 PHE A 40 -4.365 -12.838 7.712 1.00 0.00 C ATOM 600 CE2 PHE A 40 -5.748 -13.444 5.816 1.00 0.00 C ATOM 601 CZ PHE A 40 -4.897 -13.815 6.863 1.00 0.00 C ATOM 0 H PHE A 40 -5.934 -7.160 6.059 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.018 -9.076 7.164 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.573 -9.326 7.026 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.390 -9.538 5.296 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.273 -10.736 8.171 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.725 -11.809 4.810 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.708 -13.125 8.520 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.158 -14.198 5.161 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.651 -14.855 7.016 1.00 0.00 H new ATOM 611 N CYS A 41 -3.868 -8.229 4.051 1.00 0.00 N ATOM 612 CA CYS A 41 -3.096 -8.438 2.793 1.00 0.00 C ATOM 613 C CYS A 41 -1.729 -7.756 2.904 1.00 0.00 C ATOM 614 O CYS A 41 -0.771 -8.155 2.271 1.00 0.00 O ATOM 615 CB CYS A 41 -3.875 -7.839 1.618 1.00 0.00 C ATOM 616 SG CYS A 41 -5.017 -9.073 0.947 1.00 0.00 S ATOM 0 H CYS A 41 -4.440 -7.385 4.072 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.950 -9.506 2.630 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.428 -6.959 1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.184 -7.509 0.842 1.00 0.00 H new ATOM 621 N TRP A 42 -1.631 -6.722 3.696 1.00 0.00 N ATOM 622 CA TRP A 42 -0.330 -6.009 3.839 1.00 0.00 C ATOM 623 C TRP A 42 0.546 -6.727 4.865 1.00 0.00 C ATOM 624 O TRP A 42 1.681 -7.070 4.595 1.00 0.00 O ATOM 625 CB TRP A 42 -0.587 -4.577 4.309 1.00 0.00 C ATOM 626 CG TRP A 42 0.715 -3.851 4.424 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.607 -3.700 3.420 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.284 -3.181 5.584 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.687 -2.971 3.888 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.534 -2.630 5.218 1.00 0.00 C ATOM 631 CE3 TRP A 42 0.841 -2.998 6.906 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.317 -1.922 6.131 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.626 -2.285 7.827 1.00 0.00 C ATOM 634 CH2 TRP A 42 2.862 -1.749 7.440 1.00 0.00 C ATOM 0 H TRP A 42 -2.397 -6.340 4.251 1.00 0.00 H new ATOM 0 HA TRP A 42 0.180 -5.996 2.876 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.241 -4.063 3.605 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.098 -4.585 5.272 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.496 -4.085 2.417 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.496 -2.717 3.321 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.109 -3.408 7.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.268 -1.511 5.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.275 -2.149 8.839 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.462 -1.203 8.153 1.00 0.00 H new ATOM 645 N HIS A 43 0.031 -6.955 6.041 1.00 0.00 N ATOM 646 CA HIS A 43 0.835 -7.649 7.087 1.00 0.00 C ATOM 647 C HIS A 43 1.379 -8.969 6.529 1.00 0.00 C ATOM 648 O HIS A 43 2.307 -9.543 7.065 1.00 0.00 O ATOM 649 CB HIS A 43 -0.052 -7.938 8.301 1.00 0.00 C ATOM 650 CG HIS A 43 -0.014 -6.767 9.245 1.00 0.00 C ATOM 651 ND1 HIS A 43 1.178 -6.215 9.688 1.00 0.00 N ATOM 652 CD2 HIS A 43 -1.011 -6.035 9.840 1.00 0.00 C ATOM 653 CE1 HIS A 43 0.869 -5.196 10.512 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.451 -5.043 10.639 1.00 0.00 N ATOM 0 H HIS A 43 -0.913 -6.691 6.324 1.00 0.00 H new ATOM 0 HA HIS A 43 1.668 -7.012 7.384 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.076 -8.125 7.979 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.292 -8.839 8.809 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -2.070 -6.203 9.708 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.601 -4.577 11.010 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.943 -4.348 11.201 1.00 0.00 H new ATOM 662 N ARG A 44 0.805 -9.458 5.464 1.00 0.00 N ATOM 663 CA ARG A 44 1.283 -10.744 4.881 1.00 0.00 C ATOM 664 C ARG A 44 2.475 -10.493 3.950 1.00 0.00 C ATOM 665 O ARG A 44 3.532 -11.073 4.109 1.00 0.00 O ATOM 666 CB ARG A 44 0.149 -11.386 4.081 1.00 0.00 C ATOM 667 CG ARG A 44 0.636 -12.696 3.461 1.00 0.00 C ATOM 668 CD ARG A 44 -0.529 -13.385 2.752 1.00 0.00 C ATOM 669 NE ARG A 44 -1.103 -12.462 1.733 1.00 0.00 N ATOM 670 CZ ARG A 44 -2.058 -12.873 0.944 1.00 0.00 C ATOM 671 NH1 ARG A 44 -2.305 -14.149 0.829 1.00 0.00 N ATOM 672 NH2 ARG A 44 -2.764 -12.006 0.269 1.00 0.00 N ATOM 0 H ARG A 44 0.025 -9.022 4.972 1.00 0.00 H new ATOM 0 HA ARG A 44 1.594 -11.407 5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.706 -11.575 4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.189 -10.705 3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.442 -12.499 2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.043 -13.348 4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.187 -14.304 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.294 -13.667 3.475 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.750 -11.509 1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.752 -14.825 1.356 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.051 -14.470 0.212 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.569 -11.009 0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.511 -12.326 -0.348 1.00 0.00 H new ATOM 686 N ILE A 45 2.311 -9.644 2.972 1.00 0.00 N ATOM 687 CA ILE A 45 3.431 -9.371 2.025 1.00 0.00 C ATOM 688 C ILE A 45 4.685 -8.957 2.798 1.00 0.00 C ATOM 689 O ILE A 45 5.728 -9.566 2.675 1.00 0.00 O ATOM 690 CB ILE A 45 3.031 -8.242 1.074 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.852 -8.694 0.210 1.00 0.00 C ATOM 692 CG2 ILE A 45 4.214 -7.892 0.170 1.00 0.00 C ATOM 693 CD1 ILE A 45 1.065 -7.470 -0.256 1.00 0.00 C ATOM 0 H ILE A 45 1.451 -9.128 2.787 1.00 0.00 H new ATOM 0 HA ILE A 45 3.642 -10.277 1.457 1.00 0.00 H new ATOM 0 HB ILE A 45 2.743 -7.366 1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.213 -9.257 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.205 -9.361 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.929 -7.087 -0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.056 -7.569 0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.501 -8.769 -0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.225 -7.791 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.692 -6.925 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.716 -6.820 -0.841 1.00 0.00 H new ATOM 705 N ARG A 46 4.595 -7.919 3.581 1.00 0.00 N ATOM 706 CA ARG A 46 5.787 -7.462 4.349 1.00 0.00 C ATOM 707 C ARG A 46 6.337 -8.613 5.193 1.00 0.00 C ATOM 708 O ARG A 46 7.503 -8.643 5.531 1.00 0.00 O ATOM 709 CB ARG A 46 5.386 -6.303 5.265 1.00 0.00 C ATOM 710 CG ARG A 46 5.180 -5.040 4.429 1.00 0.00 C ATOM 711 CD ARG A 46 6.143 -3.951 4.903 1.00 0.00 C ATOM 712 NE ARG A 46 7.410 -4.031 4.122 1.00 0.00 N ATOM 713 CZ ARG A 46 8.391 -3.210 4.383 1.00 0.00 C ATOM 714 NH1 ARG A 46 8.364 -2.484 5.468 1.00 0.00 N ATOM 715 NH2 ARG A 46 9.401 -3.115 3.561 1.00 0.00 N ATOM 0 H ARG A 46 3.749 -7.367 3.723 1.00 0.00 H new ATOM 0 HA ARG A 46 6.558 -7.131 3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.470 -6.550 5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.159 -6.134 6.015 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.351 -5.257 3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.150 -4.695 4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.688 -2.969 4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.351 -4.072 5.966 1.00 0.00 H new ATOM 0 HE ARG A 46 7.511 -4.727 3.383 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.576 -2.558 6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.131 -1.843 5.672 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.424 -3.683 2.714 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.167 -2.473 3.766 1.00 0.00 H new ATOM 729 N THR A 47 5.510 -9.560 5.542 1.00 0.00 N ATOM 730 CA THR A 47 5.995 -10.701 6.369 1.00 0.00 C ATOM 731 C THR A 47 5.665 -12.023 5.674 1.00 0.00 C ATOM 732 O THR A 47 5.334 -13.003 6.311 1.00 0.00 O ATOM 733 CB THR A 47 5.317 -10.662 7.741 1.00 0.00 C ATOM 734 OG1 THR A 47 4.086 -11.369 7.680 1.00 0.00 O ATOM 735 CG2 THR A 47 5.056 -9.210 8.143 1.00 0.00 C ATOM 0 H THR A 47 4.522 -9.593 5.291 1.00 0.00 H new ATOM 0 HA THR A 47 7.075 -10.621 6.493 1.00 0.00 H new ATOM 0 HB THR A 47 5.967 -11.129 8.481 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.343 -10.731 7.661 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.573 -9.184 9.120 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.002 -8.670 8.191 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.407 -8.739 7.405 1.00 0.00 H new ATOM 743 N ASP A 48 5.754 -12.059 4.373 1.00 0.00 N ATOM 744 CA ASP A 48 5.446 -13.321 3.642 1.00 0.00 C ATOM 745 C ASP A 48 5.678 -13.117 2.143 1.00 0.00 C ATOM 746 O ASP A 48 6.635 -13.610 1.579 1.00 0.00 O ATOM 747 CB ASP A 48 3.984 -13.704 3.884 1.00 0.00 C ATOM 748 CG ASP A 48 3.880 -15.214 4.100 1.00 0.00 C ATOM 749 OD1 ASP A 48 4.787 -15.916 3.684 1.00 0.00 O ATOM 750 OD2 ASP A 48 2.896 -15.644 4.680 1.00 0.00 O ATOM 0 H ASP A 48 6.026 -11.271 3.785 1.00 0.00 H new ATOM 0 HA ASP A 48 6.097 -14.117 4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.598 -13.174 4.755 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.373 -13.405 3.032 1.00 0.00 H new ATOM 755 N GLU A 49 4.807 -12.395 1.492 1.00 0.00 N ATOM 756 CA GLU A 49 4.974 -12.161 0.028 1.00 0.00 C ATOM 757 C GLU A 49 6.150 -11.210 -0.211 1.00 0.00 C ATOM 758 O GLU A 49 7.099 -11.180 0.546 1.00 0.00 O ATOM 759 CB GLU A 49 3.693 -11.545 -0.537 1.00 0.00 C ATOM 760 CG GLU A 49 3.386 -12.169 -1.899 1.00 0.00 C ATOM 761 CD GLU A 49 2.613 -13.473 -1.701 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.251 -14.487 -1.468 1.00 0.00 O ATOM 763 OE2 GLU A 49 1.397 -13.436 -1.785 1.00 0.00 O ATOM 0 H GLU A 49 3.986 -11.957 1.910 1.00 0.00 H new ATOM 0 HA GLU A 49 5.172 -13.110 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.862 -11.714 0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.809 -10.466 -0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.802 -11.476 -2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.313 -12.362 -2.440 1.00 0.00 H new ATOM 770 N ASN A 50 6.096 -10.435 -1.261 1.00 0.00 N ATOM 771 CA ASN A 50 7.214 -9.493 -1.548 1.00 0.00 C ATOM 772 C ASN A 50 6.785 -8.060 -1.220 1.00 0.00 C ATOM 773 O ASN A 50 5.833 -7.544 -1.770 1.00 0.00 O ATOM 774 CB ASN A 50 7.589 -9.585 -3.029 1.00 0.00 C ATOM 775 CG ASN A 50 8.776 -10.537 -3.197 1.00 0.00 C ATOM 776 OD1 ASN A 50 8.895 -11.511 -2.481 1.00 0.00 O ATOM 777 ND2 ASN A 50 9.665 -10.292 -4.119 1.00 0.00 N ATOM 0 H ASN A 50 5.327 -10.414 -1.931 1.00 0.00 H new ATOM 0 HA ASN A 50 8.074 -9.759 -0.934 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.738 -9.942 -3.609 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.844 -8.597 -3.412 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.461 -10.918 -4.239 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.564 -9.474 -4.720 1.00 0.00 H new ATOM 784 N GLY A 51 7.488 -7.413 -0.326 1.00 0.00 N ATOM 785 CA GLY A 51 7.134 -6.011 0.050 1.00 0.00 C ATOM 786 C GLY A 51 7.080 -5.120 -1.196 1.00 0.00 C ATOM 787 O GLY A 51 6.580 -4.011 -1.154 1.00 0.00 O ATOM 0 H GLY A 51 8.297 -7.798 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.169 -5.997 0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.869 -5.620 0.753 1.00 0.00 H new ATOM 791 N LEU A 52 7.594 -5.581 -2.306 1.00 0.00 N ATOM 792 CA LEU A 52 7.560 -4.744 -3.536 1.00 0.00 C ATOM 793 C LEU A 52 6.120 -4.640 -4.043 1.00 0.00 C ATOM 794 O LEU A 52 5.231 -5.321 -3.574 1.00 0.00 O ATOM 795 CB LEU A 52 8.431 -5.379 -4.624 1.00 0.00 C ATOM 796 CG LEU A 52 9.914 -5.205 -4.286 1.00 0.00 C ATOM 797 CD1 LEU A 52 10.752 -5.498 -5.532 1.00 0.00 C ATOM 798 CD2 LEU A 52 10.176 -3.768 -3.829 1.00 0.00 C ATOM 0 H LEU A 52 8.033 -6.496 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 52 7.942 -3.751 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.194 -6.439 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.214 -4.918 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 52 10.185 -5.894 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.809 -5.375 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.570 -6.521 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.475 -4.806 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.233 -3.649 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.905 -3.077 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.577 -3.553 -2.944 1.00 0.00 H new ATOM 810 N CYS A 53 5.891 -3.789 -5.003 1.00 0.00 N ATOM 811 CA CYS A 53 4.519 -3.623 -5.559 1.00 0.00 C ATOM 812 C CYS A 53 4.327 -4.581 -6.743 1.00 0.00 C ATOM 813 O CYS A 53 5.020 -4.474 -7.734 1.00 0.00 O ATOM 814 CB CYS A 53 4.350 -2.181 -6.044 1.00 0.00 C ATOM 815 SG CYS A 53 2.623 -1.885 -6.495 1.00 0.00 S ATOM 0 H CYS A 53 6.602 -3.196 -5.430 1.00 0.00 H new ATOM 0 HA CYS A 53 3.780 -3.845 -4.789 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.655 -1.486 -5.262 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.996 -1.998 -6.903 1.00 0.00 H new ATOM 820 N PRO A 54 3.392 -5.489 -6.609 1.00 0.00 N ATOM 821 CA PRO A 54 3.093 -6.474 -7.663 1.00 0.00 C ATOM 822 C PRO A 54 2.242 -5.837 -8.769 1.00 0.00 C ATOM 823 O PRO A 54 1.759 -6.513 -9.655 1.00 0.00 O ATOM 824 CB PRO A 54 2.299 -7.557 -6.927 1.00 0.00 C ATOM 825 CG PRO A 54 1.702 -6.881 -5.669 1.00 0.00 C ATOM 826 CD PRO A 54 2.550 -5.623 -5.402 1.00 0.00 C ATOM 0 HA PRO A 54 3.987 -6.861 -8.151 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.511 -7.960 -7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.944 -8.391 -6.651 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.657 -6.617 -5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.732 -7.557 -4.815 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.923 -4.744 -5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.157 -5.735 -4.504 1.00 0.00 H new ATOM 834 N ALA A 55 2.046 -4.546 -8.722 1.00 0.00 N ATOM 835 CA ALA A 55 1.216 -3.889 -9.774 1.00 0.00 C ATOM 836 C ALA A 55 2.034 -2.835 -10.527 1.00 0.00 C ATOM 837 O ALA A 55 1.834 -2.618 -11.705 1.00 0.00 O ATOM 838 CB ALA A 55 0.006 -3.218 -9.120 1.00 0.00 C ATOM 0 H ALA A 55 2.421 -3.922 -8.007 1.00 0.00 H new ATOM 0 HA ALA A 55 0.885 -4.648 -10.483 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.602 -2.737 -9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.590 -3.969 -8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.347 -2.469 -8.405 1.00 0.00 H new ATOM 844 N CYS A 56 2.944 -2.169 -9.868 1.00 0.00 N ATOM 845 CA CYS A 56 3.743 -1.128 -10.576 1.00 0.00 C ATOM 846 C CYS A 56 5.242 -1.341 -10.319 1.00 0.00 C ATOM 847 O CYS A 56 6.074 -0.602 -10.805 1.00 0.00 O ATOM 848 CB CYS A 56 3.300 0.268 -10.095 1.00 0.00 C ATOM 849 SG CYS A 56 4.235 0.779 -8.624 1.00 0.00 S ATOM 0 H CYS A 56 3.167 -2.298 -8.881 1.00 0.00 H new ATOM 0 HA CYS A 56 3.571 -1.205 -11.650 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.447 0.995 -10.894 1.00 0.00 H new ATOM 0 HB3 CYS A 56 2.234 0.256 -9.867 1.00 0.00 H new ATOM 854 N ARG A 57 5.591 -2.343 -9.560 1.00 0.00 N ATOM 855 CA ARG A 57 7.033 -2.592 -9.277 1.00 0.00 C ATOM 856 C ARG A 57 7.612 -1.407 -8.500 1.00 0.00 C ATOM 857 O ARG A 57 8.046 -0.426 -9.071 1.00 0.00 O ATOM 858 CB ARG A 57 7.791 -2.763 -10.594 1.00 0.00 C ATOM 859 CG ARG A 57 7.166 -3.908 -11.395 1.00 0.00 C ATOM 860 CD ARG A 57 8.196 -5.024 -11.585 1.00 0.00 C ATOM 861 NE ARG A 57 8.427 -5.245 -13.040 1.00 0.00 N ATOM 862 CZ ARG A 57 7.648 -6.049 -13.711 1.00 0.00 C ATOM 863 NH1 ARG A 57 6.631 -5.569 -14.373 1.00 0.00 N ATOM 864 NH2 ARG A 57 7.888 -7.332 -13.721 1.00 0.00 N ATOM 0 H ARG A 57 4.942 -2.999 -9.124 1.00 0.00 H new ATOM 0 HA ARG A 57 7.135 -3.500 -8.682 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.754 -1.839 -11.170 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.842 -2.974 -10.397 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.289 -4.293 -10.874 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.826 -3.544 -12.365 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.132 -4.757 -11.094 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.842 -5.943 -11.118 1.00 0.00 H new ATOM 0 HE ARG A 57 9.195 -4.768 -13.512 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.445 -4.566 -14.366 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.022 -6.197 -14.898 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.684 -7.706 -13.205 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.279 -7.961 -14.245 1.00 0.00 H new ATOM 878 N LYS A 58 7.616 -1.495 -7.199 1.00 0.00 N ATOM 879 CA LYS A 58 8.158 -0.383 -6.366 1.00 0.00 C ATOM 880 C LYS A 58 8.165 -0.820 -4.897 1.00 0.00 C ATOM 881 O LYS A 58 7.273 -1.518 -4.459 1.00 0.00 O ATOM 882 CB LYS A 58 7.271 0.853 -6.527 1.00 0.00 C ATOM 883 CG LYS A 58 8.049 1.950 -7.256 1.00 0.00 C ATOM 884 CD LYS A 58 7.933 3.260 -6.475 1.00 0.00 C ATOM 885 CE LYS A 58 9.317 3.679 -5.973 1.00 0.00 C ATOM 886 NZ LYS A 58 9.261 3.901 -4.500 1.00 0.00 N ATOM 0 H LYS A 58 7.265 -2.295 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 58 9.172 -0.142 -6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.371 0.597 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.947 1.211 -5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.096 1.664 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.658 2.079 -8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.514 4.039 -7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.252 3.135 -5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.051 2.908 -6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.639 4.590 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.217 4.103 -4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.637 4.707 -4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.890 3.048 -4.034 1.00 0.00 H new ATOM 900 N PRO A 59 9.173 -0.401 -4.178 1.00 0.00 N ATOM 901 CA PRO A 59 9.321 -0.748 -2.754 1.00 0.00 C ATOM 902 C PRO A 59 8.340 0.056 -1.894 1.00 0.00 C ATOM 903 O PRO A 59 8.388 1.269 -1.849 1.00 0.00 O ATOM 904 CB PRO A 59 10.772 -0.373 -2.440 1.00 0.00 C ATOM 905 CG PRO A 59 11.196 0.661 -3.510 1.00 0.00 C ATOM 906 CD PRO A 59 10.249 0.461 -4.709 1.00 0.00 C ATOM 0 HA PRO A 59 9.105 -1.796 -2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.856 0.048 -1.438 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.416 -1.252 -2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.120 1.676 -3.120 1.00 0.00 H new ATOM 0 HG3 PRO A 59 12.234 0.510 -3.806 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.857 1.412 -5.070 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.761 -0.011 -5.547 1.00 0.00 H new ATOM 914 N TYR A 60 7.450 -0.616 -1.211 1.00 0.00 N ATOM 915 CA TYR A 60 6.463 0.102 -0.353 1.00 0.00 C ATOM 916 C TYR A 60 7.166 1.230 0.408 1.00 0.00 C ATOM 917 O TYR A 60 8.361 1.183 0.615 1.00 0.00 O ATOM 918 CB TYR A 60 5.856 -0.881 0.653 1.00 0.00 C ATOM 919 CG TYR A 60 5.198 -2.034 -0.075 1.00 0.00 C ATOM 920 CD1 TYR A 60 5.009 -1.982 -1.463 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.776 -3.158 0.645 1.00 0.00 C ATOM 922 CE1 TYR A 60 4.400 -3.051 -2.127 1.00 0.00 C ATOM 923 CE2 TYR A 60 4.165 -4.228 -0.021 1.00 0.00 C ATOM 924 CZ TYR A 60 3.978 -4.174 -1.407 1.00 0.00 C ATOM 925 OH TYR A 60 3.378 -5.230 -2.065 1.00 0.00 O ATOM 0 H TYR A 60 7.365 -1.632 -1.211 1.00 0.00 H new ATOM 0 HA TYR A 60 5.677 0.521 -0.981 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.633 -1.257 1.319 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.123 -0.369 1.276 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.334 -1.116 -2.020 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.922 -3.200 1.714 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.255 -3.010 -3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.838 -5.094 0.535 1.00 0.00 H new ATOM 0 HH TYR A 60 4.067 -5.845 -2.393 1.00 0.00 H new ATOM 935 N PRO A 61 6.394 2.211 0.809 1.00 0.00 N ATOM 936 CA PRO A 61 6.914 3.366 1.559 1.00 0.00 C ATOM 937 C PRO A 61 7.157 2.984 3.023 1.00 0.00 C ATOM 938 O PRO A 61 6.723 1.945 3.483 1.00 0.00 O ATOM 939 CB PRO A 61 5.797 4.406 1.440 1.00 0.00 C ATOM 940 CG PRO A 61 4.500 3.621 1.129 1.00 0.00 C ATOM 941 CD PRO A 61 4.937 2.259 0.553 1.00 0.00 C ATOM 0 HA PRO A 61 7.868 3.732 1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.695 4.974 2.365 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.016 5.123 0.649 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.903 3.487 2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.881 4.163 0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.419 1.434 1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.717 2.187 -0.512 1.00 0.00 H new ATOM 949 N GLU A 62 7.850 3.810 3.757 1.00 0.00 N ATOM 950 CA GLU A 62 8.122 3.486 5.186 1.00 0.00 C ATOM 951 C GLU A 62 7.354 4.454 6.089 1.00 0.00 C ATOM 952 O GLU A 62 6.460 5.151 5.652 1.00 0.00 O ATOM 953 CB GLU A 62 9.619 3.617 5.463 1.00 0.00 C ATOM 954 CG GLU A 62 10.394 2.695 4.520 1.00 0.00 C ATOM 955 CD GLU A 62 10.827 1.438 5.278 1.00 0.00 C ATOM 956 OE1 GLU A 62 11.703 1.549 6.119 1.00 0.00 O ATOM 957 OE2 GLU A 62 10.275 0.385 5.003 1.00 0.00 O ATOM 0 H GLU A 62 8.239 4.694 3.430 1.00 0.00 H new ATOM 0 HA GLU A 62 7.800 2.465 5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.937 4.650 5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.832 3.357 6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.772 2.422 3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.268 3.213 4.124 1.00 0.00 H new ATOM 964 N ASP A 63 7.698 4.500 7.347 1.00 0.00 N ATOM 965 CA ASP A 63 6.991 5.418 8.281 1.00 0.00 C ATOM 966 C ASP A 63 6.949 6.828 7.681 1.00 0.00 C ATOM 967 O ASP A 63 7.734 7.154 6.813 1.00 0.00 O ATOM 968 CB ASP A 63 7.735 5.455 9.617 1.00 0.00 C ATOM 969 CG ASP A 63 9.244 5.484 9.361 1.00 0.00 C ATOM 970 OD1 ASP A 63 9.643 6.048 8.355 1.00 0.00 O ATOM 971 OD2 ASP A 63 9.974 4.943 10.174 1.00 0.00 O ATOM 0 H ASP A 63 8.439 3.940 7.768 1.00 0.00 H new ATOM 0 HA ASP A 63 5.973 5.062 8.440 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.435 6.334 10.188 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.474 4.582 10.215 1.00 0.00 H new ATOM 976 N PRO A 64 6.031 7.623 8.171 1.00 0.00 N ATOM 977 CA PRO A 64 5.850 9.011 7.714 1.00 0.00 C ATOM 978 C PRO A 64 6.864 9.940 8.393 1.00 0.00 C ATOM 979 O PRO A 64 6.709 11.144 8.389 1.00 0.00 O ATOM 980 CB PRO A 64 4.427 9.352 8.163 1.00 0.00 C ATOM 981 CG PRO A 64 4.092 8.386 9.324 1.00 0.00 C ATOM 982 CD PRO A 64 5.080 7.208 9.222 1.00 0.00 C ATOM 0 HA PRO A 64 5.999 9.128 6.641 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.361 10.390 8.490 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.721 9.231 7.341 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.189 8.889 10.286 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.063 8.035 9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.587 7.030 10.170 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.570 6.282 8.955 1.00 0.00 H new ATOM 990 N ALA A 65 7.894 9.390 8.980 1.00 0.00 N ATOM 991 CA ALA A 65 8.912 10.240 9.661 1.00 0.00 C ATOM 992 C ALA A 65 9.707 11.026 8.620 1.00 0.00 C ATOM 993 O ALA A 65 10.780 10.625 8.215 1.00 0.00 O ATOM 994 CB ALA A 65 9.869 9.351 10.456 1.00 0.00 C ATOM 0 H ALA A 65 8.074 8.387 9.017 1.00 0.00 H new ATOM 0 HA ALA A 65 8.408 10.933 10.334 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.614 9.972 10.954 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.308 8.788 11.202 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.369 8.658 9.779 1.00 0.00 H new ATOM 1000 N VAL A 66 9.187 12.144 8.193 1.00 0.00 N ATOM 1001 CA VAL A 66 9.898 12.977 7.179 1.00 0.00 C ATOM 1002 C VAL A 66 10.585 12.082 6.145 1.00 0.00 C ATOM 1003 O VAL A 66 11.741 11.733 6.273 1.00 0.00 O ATOM 1004 CB VAL A 66 10.942 13.845 7.871 1.00 0.00 C ATOM 1005 CG1 VAL A 66 10.243 14.939 8.680 1.00 0.00 C ATOM 1006 CG2 VAL A 66 11.781 12.975 8.805 1.00 0.00 C ATOM 0 H VAL A 66 8.292 12.520 8.506 1.00 0.00 H new ATOM 0 HA VAL A 66 9.170 13.611 6.672 1.00 0.00 H new ATOM 0 HB VAL A 66 11.587 14.307 7.124 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.990 15.559 9.175 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.642 15.557 8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.598 14.481 9.430 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.529 13.592 9.302 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.135 12.515 9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.279 12.196 8.227 1.00 0.00 H new ATOM 1016 N TYR A 67 9.878 11.716 5.120 1.00 0.00 N ATOM 1017 CA TYR A 67 10.475 10.847 4.064 1.00 0.00 C ATOM 1018 C TYR A 67 11.835 11.409 3.645 1.00 0.00 C ATOM 1019 O TYR A 67 12.095 12.589 3.770 1.00 0.00 O ATOM 1020 CB TYR A 67 9.545 10.810 2.849 1.00 0.00 C ATOM 1021 CG TYR A 67 9.213 12.223 2.426 1.00 0.00 C ATOM 1022 CD1 TYR A 67 8.125 12.889 3.003 1.00 0.00 C ATOM 1023 CD2 TYR A 67 9.991 12.866 1.455 1.00 0.00 C ATOM 1024 CE1 TYR A 67 7.817 14.197 2.612 1.00 0.00 C ATOM 1025 CE2 TYR A 67 9.684 14.174 1.064 1.00 0.00 C ATOM 1026 CZ TYR A 67 8.596 14.840 1.641 1.00 0.00 C ATOM 1027 OH TYR A 67 8.292 16.131 1.256 1.00 0.00 O ATOM 0 H TYR A 67 8.906 11.980 4.963 1.00 0.00 H new ATOM 0 HA TYR A 67 10.605 9.838 4.456 1.00 0.00 H new ATOM 0 HB2 TYR A 67 10.023 10.276 2.028 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.631 10.268 3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.523 12.393 3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.829 12.352 1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.979 14.711 3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.286 14.670 0.317 1.00 0.00 H new ATOM 0 HH TYR A 67 8.931 16.428 0.575 1.00 0.00 H new ATOM 1037 N LYS A 68 12.706 10.573 3.146 1.00 0.00 N ATOM 1038 CA LYS A 68 14.047 11.062 2.719 1.00 0.00 C ATOM 1039 C LYS A 68 14.635 11.963 3.808 1.00 0.00 C ATOM 1040 O LYS A 68 14.409 13.156 3.810 1.00 0.00 O ATOM 1041 CB LYS A 68 13.911 11.859 1.419 1.00 0.00 C ATOM 1042 CG LYS A 68 15.208 11.750 0.616 1.00 0.00 C ATOM 1043 CD LYS A 68 15.597 13.129 0.081 1.00 0.00 C ATOM 1044 CE LYS A 68 16.026 13.008 -1.383 1.00 0.00 C ATOM 1045 NZ LYS A 68 15.776 14.301 -2.082 1.00 0.00 N ATOM 0 H LYS A 68 12.546 9.574 3.016 1.00 0.00 H new ATOM 0 HA LYS A 68 14.707 10.210 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.075 11.479 0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.695 12.904 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.005 11.355 1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.078 11.051 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.755 13.815 0.168 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.410 13.545 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.083 12.748 -1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.472 12.206 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.067 14.220 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.763 14.531 -2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.323 15.056 -1.622 1.00 0.00 H new ATOM 1059 N PRO A 69 15.373 11.359 4.702 1.00 0.00 N ATOM 1060 CA PRO A 69 16.015 12.077 5.818 1.00 0.00 C ATOM 1061 C PRO A 69 17.266 12.811 5.329 1.00 0.00 C ATOM 1062 O PRO A 69 17.775 12.546 4.259 1.00 0.00 O ATOM 1063 CB PRO A 69 16.382 10.960 6.799 1.00 0.00 C ATOM 1064 CG PRO A 69 16.453 9.656 5.969 1.00 0.00 C ATOM 1065 CD PRO A 69 15.639 9.906 4.686 1.00 0.00 C ATOM 0 HA PRO A 69 15.375 12.836 6.267 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.337 11.166 7.282 1.00 0.00 H new ATOM 0 HB3 PRO A 69 15.636 10.877 7.590 1.00 0.00 H new ATOM 0 HG2 PRO A 69 17.486 9.405 5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 69 16.043 8.817 6.531 1.00 0.00 H new ATOM 0 HD2 PRO A 69 16.197 9.613 3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.713 9.332 4.684 1.00 0.00 H new ATOM 1073 N LEU A 70 17.762 13.735 6.104 1.00 0.00 N ATOM 1074 CA LEU A 70 18.978 14.487 5.686 1.00 0.00 C ATOM 1075 C LEU A 70 19.573 15.206 6.897 1.00 0.00 C ATOM 1076 O LEU A 70 18.966 16.090 7.467 1.00 0.00 O ATOM 1077 CB LEU A 70 18.599 15.516 4.618 1.00 0.00 C ATOM 1078 CG LEU A 70 17.437 16.371 5.125 1.00 0.00 C ATOM 1079 CD1 LEU A 70 17.981 17.680 5.701 1.00 0.00 C ATOM 1080 CD2 LEU A 70 16.488 16.680 3.964 1.00 0.00 C ATOM 0 H LEU A 70 17.377 14.002 7.010 1.00 0.00 H new ATOM 0 HA LEU A 70 19.713 13.793 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 70 19.456 16.148 4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 70 18.317 15.011 3.694 1.00 0.00 H new ATOM 0 HG LEU A 70 16.898 15.829 5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.153 18.290 6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.658 17.461 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.520 18.223 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.659 17.289 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.027 17.223 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 70 16.101 15.748 3.552 1.00 0.00 H new ATOM 1092 N SER A 71 20.756 14.831 7.299 1.00 0.00 N ATOM 1093 CA SER A 71 21.385 15.492 8.475 1.00 0.00 C ATOM 1094 C SER A 71 22.883 15.667 8.218 1.00 0.00 C ATOM 1095 O SER A 71 23.663 14.752 8.388 1.00 0.00 O ATOM 1096 CB SER A 71 21.179 14.623 9.715 1.00 0.00 C ATOM 1097 OG SER A 71 22.122 14.994 10.712 1.00 0.00 O ATOM 0 H SER A 71 21.313 14.096 6.864 1.00 0.00 H new ATOM 0 HA SER A 71 20.927 16.468 8.634 1.00 0.00 H new ATOM 0 HB2 SER A 71 20.165 14.746 10.094 1.00 0.00 H new ATOM 0 HB3 SER A 71 21.299 13.570 9.459 1.00 0.00 H new ATOM 0 HG SER A 71 21.991 14.439 11.509 1.00 0.00 H new ATOM 1103 N GLN A 72 23.290 16.836 7.804 1.00 0.00 N ATOM 1104 CA GLN A 72 24.737 17.068 7.534 1.00 0.00 C ATOM 1105 C GLN A 72 25.195 16.149 6.399 1.00 0.00 C ATOM 1106 O GLN A 72 24.392 15.542 5.718 1.00 0.00 O ATOM 1107 CB GLN A 72 25.549 16.768 8.796 1.00 0.00 C ATOM 1108 CG GLN A 72 26.252 18.043 9.264 1.00 0.00 C ATOM 1109 CD GLN A 72 27.468 17.676 10.116 1.00 0.00 C ATOM 1110 OE1 GLN A 72 27.351 17.476 11.309 1.00 0.00 O ATOM 1111 NE2 GLN A 72 28.639 17.579 9.551 1.00 0.00 N ATOM 0 H GLN A 72 22.683 17.640 7.641 1.00 0.00 H new ATOM 0 HA GLN A 72 24.891 18.108 7.245 1.00 0.00 H new ATOM 0 HB2 GLN A 72 24.894 16.391 9.582 1.00 0.00 H new ATOM 0 HB3 GLN A 72 26.283 15.989 8.592 1.00 0.00 H new ATOM 0 HG2 GLN A 72 26.564 18.635 8.404 1.00 0.00 H new ATOM 0 HG3 GLN A 72 25.563 18.659 9.842 1.00 0.00 H new ATOM 0 HE21 GLN A 72 28.738 17.747 8.550 1.00 0.00 H new ATOM 0 HE22 GLN A 72 29.456 17.335 10.110 1.00 0.00 H new ATOM 1120 N GLU A 73 26.478 16.040 6.189 1.00 0.00 N ATOM 1121 CA GLU A 73 26.982 15.159 5.098 1.00 0.00 C ATOM 1122 C GLU A 73 27.673 13.937 5.705 1.00 0.00 C ATOM 1123 O GLU A 73 28.850 13.962 6.001 1.00 0.00 O ATOM 1124 CB GLU A 73 27.985 15.931 4.236 1.00 0.00 C ATOM 1125 CG GLU A 73 27.494 17.366 4.040 1.00 0.00 C ATOM 1126 CD GLU A 73 28.450 18.333 4.740 1.00 0.00 C ATOM 1127 OE1 GLU A 73 29.585 17.950 4.971 1.00 0.00 O ATOM 1128 OE2 GLU A 73 28.031 19.441 5.031 1.00 0.00 O ATOM 0 H GLU A 73 27.199 16.523 6.725 1.00 0.00 H new ATOM 0 HA GLU A 73 26.144 14.836 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 73 28.965 15.933 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 73 28.103 15.441 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 73 27.437 17.600 2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.488 17.476 4.445 1.00 0.00 H new ATOM 1135 N GLU A 74 26.950 12.866 5.891 1.00 0.00 N ATOM 1136 CA GLU A 74 27.569 11.644 6.477 1.00 0.00 C ATOM 1137 C GLU A 74 26.725 10.419 6.116 1.00 0.00 C ATOM 1138 O GLU A 74 26.004 9.887 6.937 1.00 0.00 O ATOM 1139 CB GLU A 74 27.643 11.785 8.000 1.00 0.00 C ATOM 1140 CG GLU A 74 26.307 12.306 8.535 1.00 0.00 C ATOM 1141 CD GLU A 74 26.556 13.190 9.758 1.00 0.00 C ATOM 1142 OE1 GLU A 74 27.314 12.777 10.619 1.00 0.00 O ATOM 1143 OE2 GLU A 74 25.984 14.266 9.812 1.00 0.00 O ATOM 0 H GLU A 74 25.959 12.785 5.663 1.00 0.00 H new ATOM 0 HA GLU A 74 28.575 11.521 6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 74 27.876 10.822 8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 74 28.447 12.469 8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 74 25.790 12.874 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 74 25.660 11.471 8.803 1.00 0.00 H new ATOM 1150 N LEU A 75 26.812 9.968 4.895 1.00 0.00 N ATOM 1151 CA LEU A 75 26.018 8.778 4.479 1.00 0.00 C ATOM 1152 C LEU A 75 26.880 7.878 3.592 1.00 0.00 C ATOM 1153 O LEU A 75 26.382 7.038 2.869 1.00 0.00 O ATOM 1154 CB LEU A 75 24.782 9.232 3.701 1.00 0.00 C ATOM 1155 CG LEU A 75 23.613 9.416 4.667 1.00 0.00 C ATOM 1156 CD1 LEU A 75 23.640 10.836 5.239 1.00 0.00 C ATOM 1157 CD2 LEU A 75 22.295 9.193 3.922 1.00 0.00 C ATOM 0 H LEU A 75 27.400 10.373 4.166 1.00 0.00 H new ATOM 0 HA LEU A 75 25.703 8.224 5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 75 24.989 10.167 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 75 24.527 8.495 2.940 1.00 0.00 H new ATOM 0 HG LEU A 75 23.698 8.695 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 75 22.806 10.967 5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 75 24.578 10.996 5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 75 23.556 11.557 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 75 21.461 9.324 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 75 22.210 9.914 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 75 22.274 8.182 3.515 1.00 0.00 H new ATOM 1169 N GLN A 76 28.175 8.046 3.643 1.00 0.00 N ATOM 1170 CA GLN A 76 29.071 7.202 2.805 1.00 0.00 C ATOM 1171 C GLN A 76 28.621 7.272 1.344 1.00 0.00 C ATOM 1172 O GLN A 76 28.602 6.281 0.641 1.00 0.00 O ATOM 1173 CB GLN A 76 29.007 5.751 3.292 1.00 0.00 C ATOM 1174 CG GLN A 76 30.341 5.371 3.938 1.00 0.00 C ATOM 1175 CD GLN A 76 30.368 3.866 4.215 1.00 0.00 C ATOM 1176 OE1 GLN A 76 31.100 3.133 3.577 1.00 0.00 O ATOM 1177 NE2 GLN A 76 29.598 3.370 5.144 1.00 0.00 N ATOM 0 H GLN A 76 28.650 8.732 4.230 1.00 0.00 H new ATOM 0 HA GLN A 76 30.095 7.567 2.886 1.00 0.00 H new ATOM 0 HB2 GLN A 76 28.196 5.633 4.011 1.00 0.00 H new ATOM 0 HB3 GLN A 76 28.792 5.085 2.456 1.00 0.00 H new ATOM 0 HG2 GLN A 76 31.166 5.645 3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 76 30.477 5.924 4.867 1.00 0.00 H new ATOM 0 HE21 GLN A 76 28.984 3.984 5.679 1.00 0.00 H new ATOM 0 HE22 GLN A 76 29.610 2.368 5.335 1.00 0.00 H new ATOM 1186 N ARG A 77 28.258 8.437 0.882 1.00 0.00 N ATOM 1187 CA ARG A 77 27.810 8.573 -0.533 1.00 0.00 C ATOM 1188 C ARG A 77 28.325 9.893 -1.106 1.00 0.00 C ATOM 1189 O ARG A 77 27.560 10.767 -1.466 1.00 0.00 O ATOM 1190 CB ARG A 77 26.281 8.554 -0.586 1.00 0.00 C ATOM 1191 CG ARG A 77 25.815 8.730 -2.033 1.00 0.00 C ATOM 1192 CD ARG A 77 24.452 8.059 -2.214 1.00 0.00 C ATOM 1193 NE ARG A 77 24.413 7.360 -3.528 1.00 0.00 N ATOM 1194 CZ ARG A 77 24.684 8.012 -4.624 1.00 0.00 C ATOM 1195 NH1 ARG A 77 25.912 8.067 -5.062 1.00 0.00 N ATOM 1196 NH2 ARG A 77 23.729 8.611 -5.281 1.00 0.00 N ATOM 0 H ARG A 77 28.252 9.301 1.424 1.00 0.00 H new ATOM 0 HA ARG A 77 28.204 7.745 -1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 77 25.905 7.613 -0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 77 25.876 9.351 0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 77 25.746 9.790 -2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 77 26.542 8.291 -2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 77 24.275 7.348 -1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 77 23.658 8.804 -2.163 1.00 0.00 H new ATOM 0 HE ARG A 77 24.174 6.369 -3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 77 26.659 7.600 -4.547 1.00 0.00 H new ATOM 0 HH12 ARG A 77 26.125 8.577 -5.919 1.00 0.00 H new ATOM 0 HH21 ARG A 77 22.770 8.569 -4.937 1.00 0.00 H new ATOM 0 HH22 ARG A 77 23.942 9.121 -6.138 1.00 0.00 H new ATOM 1210 N ILE A 78 29.618 10.048 -1.193 1.00 0.00 N ATOM 1211 CA ILE A 78 30.182 11.312 -1.744 1.00 0.00 C ATOM 1212 C ILE A 78 30.485 11.128 -3.232 1.00 0.00 C ATOM 1213 O ILE A 78 31.556 11.532 -3.652 1.00 0.00 O ATOM 1214 CB ILE A 78 31.471 11.663 -1.000 1.00 0.00 C ATOM 1215 CG1 ILE A 78 31.319 11.311 0.483 1.00 0.00 C ATOM 1216 CG2 ILE A 78 31.748 13.161 -1.140 1.00 0.00 C ATOM 1217 CD1 ILE A 78 32.655 11.518 1.200 1.00 0.00 C ATOM 1218 OXT ILE A 78 29.641 10.584 -3.926 1.00 0.00 O ATOM 0 H ILE A 78 30.308 9.354 -0.906 1.00 0.00 H new ATOM 0 HA ILE A 78 29.459 12.118 -1.617 1.00 0.00 H new ATOM 0 HB ILE A 78 32.300 11.097 -1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 78 30.550 11.935 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 78 30.994 10.276 0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 78 32.667 13.412 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 78 31.857 13.414 -2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 78 30.918 13.726 -0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 78 32.544 11.267 2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 78 33.412 10.875 0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 78 32.961 12.560 1.105 1.00 0.00 H new TER 1230 ILE A 78 HETATM 1231 ZN ZN A 79 -7.041 -8.113 1.487 1.00 0.00 ZN HETATM 1232 ZN ZN A 80 2.811 0.377 -6.863 1.00 0.00 ZN