USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 505 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 59 MET CE :methyl 148:sc= -3.93! (180deg=-6.86!) USER MOD Set 1.2: A 70 GLN : amide:sc= -2.63! C(o=-6.6!,f=-15!) USER MOD Set 2.1: A 14 CYS SG : rot 30:sc= -0.264 USER MOD Set 2.2: A 17 CYS SG : rot -51:sc= -0.912 USER MOD Set 2.3: A 25 SER OG : rot 84:sc= 1.16 USER MOD Set 2.4: A 52 HIS : no HE2:sc= -5.52 K(o=-4.8,f=-9.5!) USER MOD Set 2.5: A 55 CYS SG : rot -160:sc= 0.775 USER MOD Set 3.1: A 47 CYS SG : rot 30:sc= -4.31! USER MOD Set 3.2: A 49 HIS : no HD1:sc= -9.97! C(o=-14!,f=-14!) USER MOD Set 3.3: A 71 CYS SG : rot 175:sc= -1.09 USER MOD Set 3.4: A 74 CYS SG : rot -47:sc= 0.423 USER MOD Set 3.5: A 76 THR OG1 : rot 92:sc= 1.22 USER MOD Set 4.1: A 43 HIS : no HD1:sc= -2.84! X(o=-2.8!,f=-2.6) USER MOD Set 4.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 28 SER OG : rot 180:sc= 0.0441 USER MOD Set 5.2: A 38 SER OG : rot 150:sc= -1.45 USER MOD Set 6.1: A 20 LYS NZ :NH3+ 157:sc= 0.129 (180deg=-0.201) USER MOD Set 6.2: A 23 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 3 THR OG1 : rot -110:sc= -0.112 USER MOD Single : A 7 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.142) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 31 THR OG1 : rot -31:sc= -0.075! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc=-0.000489 X(o=-0.00049,f=0) USER MOD Single : A 64 ASN : amide:sc= -5.77! C(o=-5.8!,f=-5.4!) USER MOD Single : A 65 LYS NZ :NH3+ 167:sc= -0.0859 (180deg=-0.433) USER MOD Single : A 68 SER OG : rot 7:sc= 0.574 USER MOD Single : A 73 SER OG : rot 180:sc= -0.286 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 4.034 -0.330 -4.135 1.00 0.00 N ATOM 37 CA THR A 3 3.086 -1.388 -4.462 1.00 0.00 C ATOM 38 C THR A 3 2.206 -0.991 -5.643 1.00 0.00 C ATOM 39 O THR A 3 2.223 0.157 -6.082 1.00 0.00 O ATOM 40 CB THR A 3 2.187 -1.729 -3.258 1.00 0.00 C ATOM 41 OG1 THR A 3 0.820 -1.431 -3.568 1.00 0.00 O ATOM 42 CG2 THR A 3 2.615 -0.948 -2.025 1.00 0.00 C ATOM 0 HA THR A 3 3.672 -2.267 -4.728 1.00 0.00 H new ATOM 0 HB THR A 3 2.288 -2.794 -3.047 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.527 -0.657 -3.043 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.966 -1.205 -1.188 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.646 -1.199 -1.775 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.540 0.121 -2.227 1.00 0.00 H new ATOM 50 N GLU A 4 1.438 -1.951 -6.151 1.00 0.00 N ATOM 51 CA GLU A 4 0.551 -1.700 -7.281 1.00 0.00 C ATOM 52 C GLU A 4 -0.784 -2.415 -7.094 1.00 0.00 C ATOM 53 O GLU A 4 -0.833 -3.639 -6.980 1.00 0.00 O ATOM 54 CB GLU A 4 1.209 -2.158 -8.585 1.00 0.00 C ATOM 55 CG GLU A 4 0.277 -2.116 -9.784 1.00 0.00 C ATOM 56 CD GLU A 4 0.984 -1.694 -11.058 1.00 0.00 C ATOM 57 OE1 GLU A 4 0.897 -0.500 -11.415 1.00 0.00 O ATOM 58 OE2 GLU A 4 1.621 -2.555 -11.697 1.00 0.00 O ATOM 0 H GLU A 4 1.413 -2.908 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 4 0.365 -0.627 -7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.075 -1.527 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.578 -3.176 -8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.167 -3.101 -9.929 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.540 -1.424 -9.580 1.00 0.00 H new ATOM 65 N GLU A 5 -1.863 -1.640 -7.063 1.00 0.00 N ATOM 66 CA GLU A 5 -3.199 -2.199 -6.887 1.00 0.00 C ATOM 67 C GLU A 5 -3.319 -3.550 -7.585 1.00 0.00 C ATOM 68 O GLU A 5 -2.734 -3.768 -8.648 1.00 0.00 O ATOM 69 CB GLU A 5 -4.255 -1.235 -7.434 1.00 0.00 C ATOM 70 CG GLU A 5 -5.519 -1.178 -6.593 1.00 0.00 C ATOM 71 CD GLU A 5 -6.386 0.022 -6.923 1.00 0.00 C ATOM 72 OE1 GLU A 5 -5.832 1.133 -7.056 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.616 -0.150 -7.049 1.00 0.00 O ATOM 0 H GLU A 5 -1.839 -0.625 -7.157 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.367 -2.344 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.825 -0.235 -7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.517 -1.534 -8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.095 -2.091 -6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.248 -1.146 -5.538 1.00 0.00 H new ATOM 80 N LEU A 6 -4.080 -4.456 -6.981 1.00 0.00 N ATOM 81 CA LEU A 6 -4.277 -5.788 -7.543 1.00 0.00 C ATOM 82 C LEU A 6 -5.666 -5.918 -8.160 1.00 0.00 C ATOM 83 O LEU A 6 -6.673 -5.929 -7.452 1.00 0.00 O ATOM 84 CB LEU A 6 -4.084 -6.853 -6.462 1.00 0.00 C ATOM 85 CG LEU A 6 -2.666 -6.997 -5.907 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.483 -8.361 -5.259 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.638 -6.786 -7.008 1.00 0.00 C ATOM 0 H LEU A 6 -4.571 -4.293 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.536 -5.938 -8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.756 -6.627 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.393 -7.816 -6.869 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.515 -6.232 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.468 -8.446 -4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.196 -8.474 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.654 -9.142 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.635 -6.892 -6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.788 -7.528 -7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.754 -5.786 -7.427 1.00 0.00 H new ATOM 99 N LYS A 7 -5.711 -6.021 -9.484 1.00 0.00 N ATOM 100 CA LYS A 7 -6.976 -6.156 -10.198 1.00 0.00 C ATOM 101 C LYS A 7 -7.885 -7.168 -9.508 1.00 0.00 C ATOM 102 O LYS A 7 -9.104 -7.144 -9.684 1.00 0.00 O ATOM 103 CB LYS A 7 -6.726 -6.581 -11.646 1.00 0.00 C ATOM 104 CG LYS A 7 -6.877 -5.451 -12.648 1.00 0.00 C ATOM 105 CD LYS A 7 -8.276 -4.859 -12.612 1.00 0.00 C ATOM 106 CE LYS A 7 -8.571 -4.049 -13.866 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.479 -3.084 -14.172 1.00 0.00 N ATOM 0 H LYS A 7 -4.887 -6.014 -10.084 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.473 -5.186 -10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.720 -6.994 -11.726 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.420 -7.380 -11.906 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.145 -4.672 -12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.663 -5.821 -13.651 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.009 -5.660 -12.514 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.380 -4.222 -11.733 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.707 -4.724 -14.711 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.508 -3.508 -13.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.822 -2.376 -14.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.181 -2.608 -13.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.670 -3.594 -14.581 1.00 0.00 H new ATOM 121 N VAL A 8 -7.285 -8.055 -8.722 1.00 0.00 N ATOM 122 CA VAL A 8 -8.042 -9.074 -8.004 1.00 0.00 C ATOM 123 C VAL A 8 -7.462 -9.311 -6.614 1.00 0.00 C ATOM 124 O VAL A 8 -6.310 -8.983 -6.330 1.00 0.00 O ATOM 125 CB VAL A 8 -8.060 -10.408 -8.775 1.00 0.00 C ATOM 126 CG1 VAL A 8 -9.277 -10.482 -9.685 1.00 0.00 C ATOM 127 CG2 VAL A 8 -6.775 -10.578 -9.573 1.00 0.00 C ATOM 0 H VAL A 8 -6.278 -8.089 -8.566 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.063 -8.703 -7.911 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.125 -11.224 -8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.273 -11.431 -10.221 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.184 -10.408 -9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.247 -9.660 -10.401 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.804 -11.525 -10.112 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.678 -9.758 -10.285 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.922 -10.572 -8.895 1.00 0.00 H new ATOM 137 N PRO A 9 -8.278 -9.898 -5.725 1.00 0.00 N ATOM 138 CA PRO A 9 -7.868 -10.192 -4.349 1.00 0.00 C ATOM 139 C PRO A 9 -6.831 -11.309 -4.280 1.00 0.00 C ATOM 140 O PRO A 9 -7.015 -12.394 -4.833 1.00 0.00 O ATOM 141 CB PRO A 9 -9.171 -10.630 -3.676 1.00 0.00 C ATOM 142 CG PRO A 9 -10.018 -11.143 -4.789 1.00 0.00 C ATOM 143 CD PRO A 9 -9.664 -10.316 -5.994 1.00 0.00 C ATOM 0 HA PRO A 9 -7.394 -9.334 -3.873 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.990 -11.402 -2.928 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.652 -9.796 -3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.825 -12.200 -4.971 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.077 -11.049 -4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.738 -10.895 -6.915 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.328 -9.459 -6.102 1.00 0.00 H new ATOM 151 N PRO A 10 -5.715 -11.041 -3.586 1.00 0.00 N ATOM 152 CA PRO A 10 -4.629 -12.011 -3.428 1.00 0.00 C ATOM 153 C PRO A 10 -5.021 -13.180 -2.532 1.00 0.00 C ATOM 154 O PRO A 10 -4.593 -14.314 -2.752 1.00 0.00 O ATOM 155 CB PRO A 10 -3.512 -11.190 -2.778 1.00 0.00 C ATOM 156 CG PRO A 10 -4.217 -10.084 -2.071 1.00 0.00 C ATOM 157 CD PRO A 10 -5.429 -9.768 -2.902 1.00 0.00 C ATOM 0 HA PRO A 10 -4.346 -12.464 -4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.929 -11.795 -2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.819 -10.804 -3.525 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.503 -10.385 -1.063 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.573 -9.210 -1.973 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.267 -9.447 -2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.231 -8.966 -3.613 1.00 0.00 H new ATOM 165 N ASP A 11 -5.836 -12.898 -1.523 1.00 0.00 N ATOM 166 CA ASP A 11 -6.288 -13.927 -0.593 1.00 0.00 C ATOM 167 C ASP A 11 -5.247 -14.171 0.495 1.00 0.00 C ATOM 168 O ASP A 11 -5.271 -15.200 1.169 1.00 0.00 O ATOM 169 CB ASP A 11 -6.576 -15.229 -1.342 1.00 0.00 C ATOM 170 CG ASP A 11 -7.848 -15.902 -0.865 1.00 0.00 C ATOM 171 OD1 ASP A 11 -8.267 -16.895 -1.496 1.00 0.00 O ATOM 172 OD2 ASP A 11 -8.424 -15.437 0.140 1.00 0.00 O ATOM 0 H ASP A 11 -6.198 -11.965 -1.327 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.206 -13.578 -0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.657 -15.021 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.737 -15.912 -1.213 1.00 0.00 H new ATOM 177 N GLU A 12 -4.336 -13.217 0.660 1.00 0.00 N ATOM 178 CA GLU A 12 -3.286 -13.330 1.665 1.00 0.00 C ATOM 179 C GLU A 12 -3.831 -13.024 3.058 1.00 0.00 C ATOM 180 O GLU A 12 -3.335 -13.543 4.057 1.00 0.00 O ATOM 181 CB GLU A 12 -2.131 -12.382 1.338 1.00 0.00 C ATOM 182 CG GLU A 12 -0.767 -12.925 1.731 1.00 0.00 C ATOM 183 CD GLU A 12 0.023 -11.954 2.586 1.00 0.00 C ATOM 184 OE1 GLU A 12 1.259 -11.889 2.421 1.00 0.00 O ATOM 185 OE2 GLU A 12 -0.594 -11.259 3.421 1.00 0.00 O ATOM 0 H GLU A 12 -4.304 -12.358 0.111 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.918 -14.356 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.135 -12.174 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.296 -11.433 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.896 -13.861 2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.199 -13.156 0.830 1.00 0.00 H new ATOM 192 N ASP A 13 -4.854 -12.178 3.113 1.00 0.00 N ATOM 193 CA ASP A 13 -5.467 -11.802 4.382 1.00 0.00 C ATOM 194 C ASP A 13 -4.681 -10.682 5.055 1.00 0.00 C ATOM 195 O ASP A 13 -3.497 -10.835 5.356 1.00 0.00 O ATOM 196 CB ASP A 13 -5.550 -13.015 5.312 1.00 0.00 C ATOM 197 CG ASP A 13 -6.662 -12.885 6.334 1.00 0.00 C ATOM 198 OD1 ASP A 13 -6.404 -12.332 7.424 1.00 0.00 O ATOM 199 OD2 ASP A 13 -7.790 -13.334 6.044 1.00 0.00 O ATOM 0 H ASP A 13 -5.276 -11.740 2.294 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.475 -11.441 4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.710 -13.915 4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.598 -13.139 5.829 1.00 0.00 H new ATOM 204 N CYS A 14 -5.346 -9.556 5.287 1.00 0.00 N ATOM 205 CA CYS A 14 -4.710 -8.408 5.923 1.00 0.00 C ATOM 206 C CYS A 14 -3.897 -8.843 7.139 1.00 0.00 C ATOM 207 O CYS A 14 -4.086 -9.940 7.665 1.00 0.00 O ATOM 208 CB CYS A 14 -5.763 -7.381 6.341 1.00 0.00 C ATOM 209 SG CYS A 14 -5.073 -5.783 6.875 1.00 0.00 S ATOM 0 H CYS A 14 -6.326 -9.413 5.044 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.035 -7.951 5.200 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.441 -7.210 5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.358 -7.797 7.154 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.956 -5.562 6.249 1.00 0.00 H new ATOM 214 N ILE A 15 -2.993 -7.975 7.579 1.00 0.00 N ATOM 215 CA ILE A 15 -2.152 -8.267 8.734 1.00 0.00 C ATOM 216 C ILE A 15 -2.354 -7.234 9.837 1.00 0.00 C ATOM 217 O ILE A 15 -1.984 -7.461 10.989 1.00 0.00 O ATOM 218 CB ILE A 15 -0.661 -8.306 8.349 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.486 -7.975 6.865 1.00 0.00 C ATOM 220 CG2 ILE A 15 -0.067 -9.669 8.668 1.00 0.00 C ATOM 221 CD1 ILE A 15 0.924 -8.191 6.361 1.00 0.00 C ATOM 0 H ILE A 15 -2.824 -7.064 7.154 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.450 -9.249 9.101 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.130 -7.555 8.934 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.170 -8.590 6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.768 -6.936 6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.987 -9.681 8.390 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.163 -9.867 9.736 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.598 -10.438 8.107 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.975 -7.937 5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.611 -7.556 6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.203 -9.236 6.497 1.00 0.00 H new ATOM 233 N ILE A 16 -2.945 -6.100 9.477 1.00 0.00 N ATOM 234 CA ILE A 16 -3.200 -5.033 10.437 1.00 0.00 C ATOM 235 C ILE A 16 -4.454 -5.318 11.256 1.00 0.00 C ATOM 236 O ILE A 16 -4.376 -5.617 12.449 1.00 0.00 O ATOM 237 CB ILE A 16 -3.356 -3.670 9.737 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.016 -3.213 9.156 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.899 -2.635 10.709 1.00 0.00 C ATOM 240 CD1 ILE A 16 -2.143 -2.087 8.154 1.00 0.00 C ATOM 0 H ILE A 16 -3.256 -5.896 8.527 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.336 -4.994 11.101 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.067 -3.778 8.918 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.367 -2.892 9.971 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.529 -4.062 8.676 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.004 -1.677 10.200 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.872 -2.958 11.078 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.211 -2.527 11.547 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.154 -1.815 7.785 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.766 -2.411 7.320 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.601 -1.222 8.634 1.00 0.00 H new ATOM 252 N CYS A 17 -5.611 -5.225 10.608 1.00 0.00 N ATOM 253 CA CYS A 17 -6.882 -5.474 11.275 1.00 0.00 C ATOM 254 C CYS A 17 -7.180 -6.970 11.339 1.00 0.00 C ATOM 255 O CYS A 17 -8.261 -7.381 11.759 1.00 0.00 O ATOM 256 CB CYS A 17 -8.015 -4.748 10.547 1.00 0.00 C ATOM 257 SG CYS A 17 -8.393 -5.426 8.898 1.00 0.00 S ATOM 0 H CYS A 17 -5.693 -4.979 9.622 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.810 -5.092 12.293 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.914 -4.792 11.161 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.751 -3.696 10.444 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.296 -5.527 8.208 1.00 0.00 H new ATOM 262 N MET A 18 -6.212 -7.778 10.918 1.00 0.00 N ATOM 263 CA MET A 18 -6.370 -9.228 10.928 1.00 0.00 C ATOM 264 C MET A 18 -7.710 -9.633 10.322 1.00 0.00 C ATOM 265 O MET A 18 -8.559 -10.210 11.001 1.00 0.00 O ATOM 266 CB MET A 18 -6.261 -9.764 12.357 1.00 0.00 C ATOM 267 CG MET A 18 -5.141 -9.124 13.162 1.00 0.00 C ATOM 268 SD MET A 18 -3.508 -9.473 12.480 1.00 0.00 S ATOM 269 CE MET A 18 -2.972 -10.804 13.554 1.00 0.00 C ATOM 0 H MET A 18 -5.311 -7.454 10.566 1.00 0.00 H new ATOM 0 HA MET A 18 -5.572 -9.660 10.323 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.208 -9.599 12.872 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.102 -10.842 12.321 1.00 0.00 H new ATOM 0 HG2 MET A 18 -5.294 -8.045 13.195 1.00 0.00 H new ATOM 0 HG3 MET A 18 -5.186 -9.484 14.190 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.975 -11.131 13.259 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.948 -10.452 14.585 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.667 -11.640 13.472 1.00 0.00 H new ATOM 279 N GLU A 19 -7.892 -9.327 9.041 1.00 0.00 N ATOM 280 CA GLU A 19 -9.131 -9.659 8.346 1.00 0.00 C ATOM 281 C GLU A 19 -8.842 -10.184 6.942 1.00 0.00 C ATOM 282 O GLU A 19 -7.691 -10.225 6.506 1.00 0.00 O ATOM 283 CB GLU A 19 -10.042 -8.432 8.267 1.00 0.00 C ATOM 284 CG GLU A 19 -10.649 -8.038 9.602 1.00 0.00 C ATOM 285 CD GLU A 19 -11.274 -9.213 10.329 1.00 0.00 C ATOM 286 OE1 GLU A 19 -11.917 -10.049 9.660 1.00 0.00 O ATOM 287 OE2 GLU A 19 -11.120 -9.297 11.565 1.00 0.00 O ATOM 0 H GLU A 19 -7.199 -8.851 8.464 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.637 -10.442 8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.471 -7.591 7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.845 -8.631 7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.877 -7.595 10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.407 -7.271 9.440 1.00 0.00 H new ATOM 294 N LYS A 20 -9.895 -10.584 6.238 1.00 0.00 N ATOM 295 CA LYS A 20 -9.758 -11.106 4.884 1.00 0.00 C ATOM 296 C LYS A 20 -9.432 -9.987 3.900 1.00 0.00 C ATOM 297 O LYS A 20 -10.064 -8.930 3.915 1.00 0.00 O ATOM 298 CB LYS A 20 -11.043 -11.816 4.456 1.00 0.00 C ATOM 299 CG LYS A 20 -11.047 -13.304 4.762 1.00 0.00 C ATOM 300 CD LYS A 20 -12.001 -14.059 3.850 1.00 0.00 C ATOM 301 CE LYS A 20 -13.442 -13.924 4.317 1.00 0.00 C ATOM 302 NZ LYS A 20 -14.113 -12.743 3.709 1.00 0.00 N ATOM 0 H LYS A 20 -10.854 -10.557 6.584 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.936 -11.822 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.891 -11.348 4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.187 -11.673 3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.039 -13.703 4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.335 -13.462 5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.910 -13.679 2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.723 -15.113 3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.994 -14.828 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.465 -13.836 5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.143 -12.885 3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.876 -11.890 4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.790 -12.627 2.727 1.00 0.00 H new ATOM 316 N LEU A 21 -8.443 -10.226 3.046 1.00 0.00 N ATOM 317 CA LEU A 21 -8.034 -9.238 2.053 1.00 0.00 C ATOM 318 C LEU A 21 -9.122 -9.040 1.002 1.00 0.00 C ATOM 319 O LEU A 21 -9.036 -8.139 0.167 1.00 0.00 O ATOM 320 CB LEU A 21 -6.731 -9.672 1.379 1.00 0.00 C ATOM 321 CG LEU A 21 -5.441 -9.154 2.018 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.237 -9.527 1.166 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.511 -7.647 2.215 1.00 0.00 C ATOM 0 H LEU A 21 -7.909 -11.095 3.021 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.872 -8.290 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.696 -10.761 1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.756 -9.344 0.340 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.328 -9.623 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.328 -9.151 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.177 -10.612 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.342 -9.086 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.585 -7.296 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.648 -7.160 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.351 -7.404 2.866 1.00 0.00 H new ATOM 335 N SER A 22 -10.145 -9.886 1.050 1.00 0.00 N ATOM 336 CA SER A 22 -11.249 -9.806 0.101 1.00 0.00 C ATOM 337 C SER A 22 -12.371 -8.926 0.645 1.00 0.00 C ATOM 338 O SER A 22 -13.065 -8.245 -0.110 1.00 0.00 O ATOM 339 CB SER A 22 -11.787 -11.204 -0.209 1.00 0.00 C ATOM 340 OG SER A 22 -12.602 -11.192 -1.368 1.00 0.00 O ATOM 0 H SER A 22 -10.233 -10.635 1.736 1.00 0.00 H new ATOM 0 HA SER A 22 -10.872 -9.358 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.955 -11.893 -0.353 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.363 -11.572 0.640 1.00 0.00 H new ATOM 0 HG SER A 22 -12.932 -12.098 -1.545 1.00 0.00 H new ATOM 346 N THR A 23 -12.542 -8.945 1.963 1.00 0.00 N ATOM 347 CA THR A 23 -13.579 -8.152 2.611 1.00 0.00 C ATOM 348 C THR A 23 -13.311 -6.659 2.449 1.00 0.00 C ATOM 349 O THR A 23 -13.744 -6.044 1.476 1.00 0.00 O ATOM 350 CB THR A 23 -13.684 -8.483 4.112 1.00 0.00 C ATOM 351 OG1 THR A 23 -14.350 -9.738 4.290 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.441 -7.392 4.854 1.00 0.00 C ATOM 0 H THR A 23 -11.975 -9.501 2.603 1.00 0.00 H new ATOM 0 HA THR A 23 -14.521 -8.405 2.124 1.00 0.00 H new ATOM 0 HB THR A 23 -12.675 -8.546 4.520 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.412 -9.943 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.503 -7.647 5.912 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.917 -6.443 4.740 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.447 -7.303 4.443 1.00 0.00 H new ATOM 360 N ALA A 24 -12.594 -6.084 3.409 1.00 0.00 N ATOM 361 CA ALA A 24 -12.266 -4.664 3.371 1.00 0.00 C ATOM 362 C ALA A 24 -11.538 -4.234 4.640 1.00 0.00 C ATOM 363 O ALA A 24 -11.675 -4.865 5.688 1.00 0.00 O ATOM 364 CB ALA A 24 -13.528 -3.836 3.177 1.00 0.00 C ATOM 0 H ALA A 24 -12.229 -6.580 4.222 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.599 -4.493 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.268 -2.778 3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.006 -4.116 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.215 -4.020 4.003 1.00 0.00 H new ATOM 370 N SER A 25 -10.765 -3.159 4.537 1.00 0.00 N ATOM 371 CA SER A 25 -10.011 -2.648 5.677 1.00 0.00 C ATOM 372 C SER A 25 -10.885 -2.595 6.926 1.00 0.00 C ATOM 373 O SER A 25 -12.081 -2.315 6.850 1.00 0.00 O ATOM 374 CB SER A 25 -9.460 -1.254 5.366 1.00 0.00 C ATOM 375 OG SER A 25 -9.112 -0.567 6.556 1.00 0.00 O ATOM 0 H SER A 25 -10.644 -2.624 3.677 1.00 0.00 H new ATOM 0 HA SER A 25 -9.179 -3.326 5.866 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.584 -1.341 4.723 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.205 -0.680 4.815 1.00 0.00 H new ATOM 0 HG SER A 25 -8.211 -0.833 6.836 1.00 0.00 H new ATOM 381 N GLY A 26 -10.277 -2.866 8.077 1.00 0.00 N ATOM 382 CA GLY A 26 -11.014 -2.846 9.328 1.00 0.00 C ATOM 383 C GLY A 26 -10.948 -1.498 10.016 1.00 0.00 C ATOM 384 O GLY A 26 -11.720 -1.223 10.936 1.00 0.00 O ATOM 0 H GLY A 26 -9.288 -3.099 8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.056 -3.103 9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.615 -3.611 9.994 1.00 0.00 H new ATOM 388 N TYR A 27 -10.023 -0.652 9.573 1.00 0.00 N ATOM 389 CA TYR A 27 -9.856 0.673 10.156 1.00 0.00 C ATOM 390 C TYR A 27 -10.681 1.710 9.398 1.00 0.00 C ATOM 391 O TYR A 27 -10.668 2.894 9.731 1.00 0.00 O ATOM 392 CB TYR A 27 -8.381 1.074 10.149 1.00 0.00 C ATOM 393 CG TYR A 27 -7.509 0.193 11.014 1.00 0.00 C ATOM 394 CD1 TYR A 27 -6.132 0.377 11.064 1.00 0.00 C ATOM 395 CD2 TYR A 27 -8.061 -0.826 11.781 1.00 0.00 C ATOM 396 CE1 TYR A 27 -5.333 -0.427 11.852 1.00 0.00 C ATOM 397 CE2 TYR A 27 -7.268 -1.634 12.573 1.00 0.00 C ATOM 398 CZ TYR A 27 -5.904 -1.430 12.605 1.00 0.00 C ATOM 399 OH TYR A 27 -5.111 -2.233 13.392 1.00 0.00 O ATOM 0 H TYR A 27 -9.378 -0.862 8.811 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.210 0.636 11.186 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.010 1.044 9.125 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.292 2.105 10.490 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.680 1.162 10.476 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.128 -0.989 11.758 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.265 -0.271 11.878 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.713 -2.421 13.164 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.670 -2.889 13.858 1.00 0.00 H new ATOM 409 N SER A 28 -11.398 1.253 8.375 1.00 0.00 N ATOM 410 CA SER A 28 -12.226 2.139 7.567 1.00 0.00 C ATOM 411 C SER A 28 -13.162 2.961 8.447 1.00 0.00 C ATOM 412 O SER A 28 -13.671 4.001 8.029 1.00 0.00 O ATOM 413 CB SER A 28 -13.039 1.329 6.555 1.00 0.00 C ATOM 414 OG SER A 28 -14.026 2.135 5.933 1.00 0.00 O ATOM 0 H SER A 28 -11.421 0.275 8.087 1.00 0.00 H new ATOM 0 HA SER A 28 -11.568 2.822 7.030 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.374 0.914 5.798 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.516 0.487 7.057 1.00 0.00 H new ATOM 0 HG SER A 28 -14.531 1.595 5.290 1.00 0.00 H new ATOM 420 N ASP A 29 -13.383 2.487 9.668 1.00 0.00 N ATOM 421 CA ASP A 29 -14.258 3.178 10.610 1.00 0.00 C ATOM 422 C ASP A 29 -13.799 4.617 10.822 1.00 0.00 C ATOM 423 O ASP A 29 -14.607 5.545 10.815 1.00 0.00 O ATOM 424 CB ASP A 29 -14.290 2.436 11.947 1.00 0.00 C ATOM 425 CG ASP A 29 -15.474 1.498 12.061 1.00 0.00 C ATOM 426 OD1 ASP A 29 -15.933 0.991 11.017 1.00 0.00 O ATOM 427 OD2 ASP A 29 -15.943 1.270 13.196 1.00 0.00 O ATOM 0 H ASP A 29 -12.969 1.628 10.029 1.00 0.00 H new ATOM 0 HA ASP A 29 -15.263 3.195 10.190 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.367 1.868 12.066 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.325 3.161 12.760 1.00 0.00 H new ATOM 432 N VAL A 30 -12.495 4.794 11.012 1.00 0.00 N ATOM 433 CA VAL A 30 -11.927 6.121 11.226 1.00 0.00 C ATOM 434 C VAL A 30 -11.125 6.577 10.014 1.00 0.00 C ATOM 435 O VAL A 30 -11.451 7.581 9.380 1.00 0.00 O ATOM 436 CB VAL A 30 -11.020 6.148 12.470 1.00 0.00 C ATOM 437 CG1 VAL A 30 -10.268 7.468 12.554 1.00 0.00 C ATOM 438 CG2 VAL A 30 -11.836 5.909 13.731 1.00 0.00 C ATOM 0 H VAL A 30 -11.812 4.036 11.022 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.763 6.803 11.381 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.288 5.345 12.381 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.632 7.469 13.439 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.651 7.593 11.664 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.981 8.290 12.619 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.178 5.932 14.600 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.592 6.688 13.828 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.323 4.936 13.670 1.00 0.00 H new ATOM 448 N THR A 31 -10.070 5.833 9.696 1.00 0.00 N ATOM 449 CA THR A 31 -9.217 6.162 8.559 1.00 0.00 C ATOM 450 C THR A 31 -10.049 6.478 7.321 1.00 0.00 C ATOM 451 O THR A 31 -10.299 7.642 7.010 1.00 0.00 O ATOM 452 CB THR A 31 -8.248 5.010 8.232 1.00 0.00 C ATOM 453 OG1 THR A 31 -8.982 3.800 8.008 1.00 0.00 O ATOM 454 CG2 THR A 31 -7.253 4.803 9.364 1.00 0.00 C ATOM 0 H THR A 31 -9.785 4.999 10.209 1.00 0.00 H new ATOM 0 HA THR A 31 -8.640 7.043 8.841 1.00 0.00 H new ATOM 0 HB THR A 31 -7.698 5.273 7.329 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.797 3.806 8.552 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.579 3.985 9.111 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.676 5.716 9.513 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.790 4.560 10.281 1.00 0.00 H new ATOM 517 N LEU A 36 -6.710 5.735 -1.733 1.00 0.00 N ATOM 518 CA LEU A 36 -6.634 4.297 -1.969 1.00 0.00 C ATOM 519 C LEU A 36 -8.029 3.682 -2.038 1.00 0.00 C ATOM 520 O LEU A 36 -8.414 3.109 -3.057 1.00 0.00 O ATOM 521 CB LEU A 36 -5.822 3.622 -0.863 1.00 0.00 C ATOM 522 CG LEU A 36 -4.719 4.469 -0.227 1.00 0.00 C ATOM 523 CD1 LEU A 36 -4.163 3.782 1.010 1.00 0.00 C ATOM 524 CD2 LEU A 36 -3.610 4.743 -1.232 1.00 0.00 C ATOM 0 HA LEU A 36 -6.138 4.136 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.508 3.306 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.369 2.719 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.150 5.423 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.379 4.400 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.962 3.640 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.748 2.813 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.834 5.347 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.181 3.799 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.019 5.280 -2.088 1.00 0.00 H new ATOM 536 N GLY A 37 -8.780 3.807 -0.950 1.00 0.00 N ATOM 537 CA GLY A 37 -10.124 3.261 -0.909 1.00 0.00 C ATOM 538 C GLY A 37 -10.237 2.067 0.018 1.00 0.00 C ATOM 539 O GLY A 37 -9.341 1.224 0.067 1.00 0.00 O ATOM 0 H GLY A 37 -8.482 4.277 -0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.818 4.036 -0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.424 2.966 -1.915 1.00 0.00 H new ATOM 543 N SER A 38 -11.339 1.996 0.757 1.00 0.00 N ATOM 544 CA SER A 38 -11.564 0.899 1.692 1.00 0.00 C ATOM 545 C SER A 38 -11.969 -0.372 0.951 1.00 0.00 C ATOM 546 O SER A 38 -12.950 -1.026 1.307 1.00 0.00 O ATOM 547 CB SER A 38 -12.645 1.279 2.706 1.00 0.00 C ATOM 548 OG SER A 38 -12.110 2.078 3.745 1.00 0.00 O ATOM 0 H SER A 38 -12.090 2.685 0.727 1.00 0.00 H new ATOM 0 HA SER A 38 -10.631 0.708 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.446 1.820 2.203 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.086 0.376 3.128 1.00 0.00 H new ATOM 0 HG SER A 38 -12.803 2.683 4.082 1.00 0.00 H new ATOM 554 N LEU A 39 -11.207 -0.716 -0.082 1.00 0.00 N ATOM 555 CA LEU A 39 -11.486 -1.909 -0.874 1.00 0.00 C ATOM 556 C LEU A 39 -10.456 -2.075 -1.987 1.00 0.00 C ATOM 557 O LEU A 39 -10.797 -2.440 -3.112 1.00 0.00 O ATOM 558 CB LEU A 39 -12.892 -1.831 -1.472 1.00 0.00 C ATOM 559 CG LEU A 39 -13.695 -3.131 -1.468 1.00 0.00 C ATOM 560 CD1 LEU A 39 -15.114 -2.881 -0.984 1.00 0.00 C ATOM 561 CD2 LEU A 39 -13.705 -3.756 -2.856 1.00 0.00 C ATOM 0 H LEU A 39 -10.392 -0.186 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.426 -2.775 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.457 -1.077 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.809 -1.482 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.217 -3.829 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.670 -3.818 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.087 -2.479 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.603 -2.166 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.281 -4.681 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.158 -3.062 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.682 -3.973 -3.165 1.00 0.00 H new ATOM 573 N ALA A 40 -9.195 -1.807 -1.664 1.00 0.00 N ATOM 574 CA ALA A 40 -8.115 -1.931 -2.635 1.00 0.00 C ATOM 575 C ALA A 40 -6.935 -2.700 -2.049 1.00 0.00 C ATOM 576 O ALA A 40 -6.400 -2.332 -1.003 1.00 0.00 O ATOM 577 CB ALA A 40 -7.668 -0.556 -3.108 1.00 0.00 C ATOM 0 H ALA A 40 -8.896 -1.503 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.493 -2.492 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.861 -0.665 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.508 -0.041 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.314 0.025 -2.256 1.00 0.00 H new ATOM 583 N VAL A 41 -6.535 -3.770 -2.729 1.00 0.00 N ATOM 584 CA VAL A 41 -5.418 -4.590 -2.275 1.00 0.00 C ATOM 585 C VAL A 41 -4.129 -4.207 -2.991 1.00 0.00 C ATOM 586 O VAL A 41 -4.109 -4.037 -4.209 1.00 0.00 O ATOM 587 CB VAL A 41 -5.694 -6.089 -2.503 1.00 0.00 C ATOM 588 CG1 VAL A 41 -4.941 -6.931 -1.484 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.187 -6.371 -2.443 1.00 0.00 C ATOM 0 H VAL A 41 -6.968 -4.089 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.304 -4.407 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.337 -6.360 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.148 -7.987 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.871 -6.750 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.264 -6.661 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.363 -7.434 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.572 -6.085 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.697 -5.796 -3.216 1.00 0.00 H new ATOM 599 N GLY A 42 -3.050 -4.072 -2.225 1.00 0.00 N ATOM 600 CA GLY A 42 -1.770 -3.709 -2.803 1.00 0.00 C ATOM 601 C GLY A 42 -0.630 -4.550 -2.262 1.00 0.00 C ATOM 602 O GLY A 42 -0.517 -4.750 -1.052 1.00 0.00 O ATOM 0 H GLY A 42 -3.040 -4.208 -1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.819 -3.822 -3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.569 -2.657 -2.601 1.00 0.00 H new ATOM 606 N HIS A 43 0.216 -5.044 -3.159 1.00 0.00 N ATOM 607 CA HIS A 43 1.353 -5.870 -2.764 1.00 0.00 C ATOM 608 C HIS A 43 2.661 -5.098 -2.910 1.00 0.00 C ATOM 609 O HIS A 43 3.036 -4.695 -4.012 1.00 0.00 O ATOM 610 CB HIS A 43 1.402 -7.144 -3.607 1.00 0.00 C ATOM 611 CG HIS A 43 2.638 -7.261 -4.445 1.00 0.00 C ATOM 612 ND1 HIS A 43 3.734 -8.008 -4.068 1.00 0.00 N ATOM 613 CD2 HIS A 43 2.947 -6.722 -5.648 1.00 0.00 C ATOM 614 CE1 HIS A 43 4.665 -7.921 -5.001 1.00 0.00 C ATOM 615 NE2 HIS A 43 4.212 -7.147 -5.971 1.00 0.00 N ATOM 0 H HIS A 43 0.137 -4.888 -4.164 1.00 0.00 H new ATOM 0 HA HIS A 43 1.227 -6.142 -1.716 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.337 -8.009 -2.947 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.528 -7.173 -4.258 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.316 -6.078 -6.243 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.632 -8.401 -4.975 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.720 -6.904 -6.822 1.00 0.00 H new ATOM 623 N LEU A 44 3.350 -4.894 -1.794 1.00 0.00 N ATOM 624 CA LEU A 44 4.617 -4.170 -1.796 1.00 0.00 C ATOM 625 C LEU A 44 5.640 -4.866 -2.689 1.00 0.00 C ATOM 626 O LEU A 44 6.051 -5.995 -2.418 1.00 0.00 O ATOM 627 CB LEU A 44 5.161 -4.052 -0.372 1.00 0.00 C ATOM 628 CG LEU A 44 5.711 -2.680 0.023 1.00 0.00 C ATOM 629 CD1 LEU A 44 4.663 -1.886 0.788 1.00 0.00 C ATOM 630 CD2 LEU A 44 6.977 -2.831 0.853 1.00 0.00 C ATOM 0 H LEU A 44 3.053 -5.220 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 44 4.437 -3.171 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.364 -4.316 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.953 -4.790 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 44 5.960 -2.134 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.071 -0.913 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.782 -1.747 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.383 -2.428 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.354 -1.845 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.754 -3.396 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.732 -3.360 0.272 1.00 0.00 H new ATOM 642 N THR A 45 6.048 -4.185 -3.755 1.00 0.00 N ATOM 643 CA THR A 45 7.024 -4.736 -4.687 1.00 0.00 C ATOM 644 C THR A 45 8.430 -4.695 -4.099 1.00 0.00 C ATOM 645 O THR A 45 9.400 -5.070 -4.756 1.00 0.00 O ATOM 646 CB THR A 45 7.017 -3.973 -6.024 1.00 0.00 C ATOM 647 OG1 THR A 45 7.628 -2.689 -5.859 1.00 0.00 O ATOM 648 CG2 THR A 45 5.596 -3.801 -6.542 1.00 0.00 C ATOM 0 H THR A 45 5.717 -3.250 -3.995 1.00 0.00 H new ATOM 0 HA THR A 45 6.738 -5.772 -4.867 1.00 0.00 H new ATOM 0 HB THR A 45 7.584 -4.554 -6.751 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.621 -2.211 -6.714 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.617 -3.259 -7.488 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.143 -4.781 -6.695 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.009 -3.240 -5.815 1.00 0.00 H new ATOM 656 N LYS A 46 8.534 -4.238 -2.855 1.00 0.00 N ATOM 657 CA LYS A 46 9.820 -4.150 -2.177 1.00 0.00 C ATOM 658 C LYS A 46 10.165 -5.467 -1.489 1.00 0.00 C ATOM 659 O LYS A 46 11.304 -5.931 -1.548 1.00 0.00 O ATOM 660 CB LYS A 46 9.802 -3.015 -1.150 1.00 0.00 C ATOM 661 CG LYS A 46 11.166 -2.709 -0.557 1.00 0.00 C ATOM 662 CD LYS A 46 11.871 -1.603 -1.324 1.00 0.00 C ATOM 663 CE LYS A 46 11.726 -0.259 -0.626 1.00 0.00 C ATOM 664 NZ LYS A 46 12.417 0.830 -1.369 1.00 0.00 N ATOM 0 H LYS A 46 7.741 -3.923 -2.296 1.00 0.00 H new ATOM 0 HA LYS A 46 10.583 -3.942 -2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.411 -2.114 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.115 -3.276 -0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.053 -2.414 0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.780 -3.610 -0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.928 -1.848 -1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.459 -1.537 -2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.669 -0.015 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.135 -0.327 0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.294 1.729 -0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.431 0.610 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.009 0.913 -2.322 1.00 0.00 H new ATOM 678 N CYS A 47 9.174 -6.065 -0.838 1.00 0.00 N ATOM 679 CA CYS A 47 9.370 -7.330 -0.139 1.00 0.00 C ATOM 680 C CYS A 47 8.382 -8.383 -0.631 1.00 0.00 C ATOM 681 O CYS A 47 8.566 -9.578 -0.401 1.00 0.00 O ATOM 682 CB CYS A 47 9.214 -7.133 1.370 1.00 0.00 C ATOM 683 SG CYS A 47 7.708 -6.227 1.849 1.00 0.00 S ATOM 0 H CYS A 47 8.226 -5.694 -0.779 1.00 0.00 H new ATOM 0 HA CYS A 47 10.381 -7.680 -0.350 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.207 -8.109 1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 47 10.084 -6.596 1.747 1.00 0.00 H new ATOM 0 HG CYS A 47 6.770 -6.453 0.978 1.00 0.00 H new ATOM 688 N SER A 48 7.332 -7.930 -1.309 1.00 0.00 N ATOM 689 CA SER A 48 6.311 -8.831 -1.832 1.00 0.00 C ATOM 690 C SER A 48 5.287 -9.174 -0.755 1.00 0.00 C ATOM 691 O SER A 48 4.880 -10.327 -0.613 1.00 0.00 O ATOM 692 CB SER A 48 6.957 -10.112 -2.364 1.00 0.00 C ATOM 693 OG SER A 48 6.159 -10.704 -3.375 1.00 0.00 O ATOM 0 H SER A 48 7.166 -6.944 -1.509 1.00 0.00 H new ATOM 0 HA SER A 48 5.797 -8.325 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.946 -9.886 -2.763 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.097 -10.819 -1.546 1.00 0.00 H new ATOM 0 HG SER A 48 6.594 -11.520 -3.699 1.00 0.00 H new ATOM 699 N HIS A 49 4.875 -8.163 0.004 1.00 0.00 N ATOM 700 CA HIS A 49 3.896 -8.356 1.069 1.00 0.00 C ATOM 701 C HIS A 49 2.586 -7.650 0.737 1.00 0.00 C ATOM 702 O HIS A 49 2.567 -6.451 0.461 1.00 0.00 O ATOM 703 CB HIS A 49 4.448 -7.834 2.397 1.00 0.00 C ATOM 704 CG HIS A 49 5.718 -8.505 2.821 1.00 0.00 C ATOM 705 ND1 HIS A 49 6.047 -8.726 4.143 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.743 -9.004 2.092 1.00 0.00 C ATOM 707 CE1 HIS A 49 7.219 -9.331 4.207 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.664 -9.511 2.976 1.00 0.00 N ATOM 0 H HIS A 49 5.203 -7.203 -0.098 1.00 0.00 H new ATOM 0 HA HIS A 49 3.699 -9.424 1.160 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.624 -6.762 2.312 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.696 -7.973 3.174 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.822 -9.004 1.015 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.728 -9.628 5.112 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.547 -9.954 2.723 1.00 0.00 H new ATOM 716 N ALA A 50 1.490 -8.402 0.765 1.00 0.00 N ATOM 717 CA ALA A 50 0.175 -7.849 0.468 1.00 0.00 C ATOM 718 C ALA A 50 -0.563 -7.469 1.747 1.00 0.00 C ATOM 719 O ALA A 50 -0.206 -7.918 2.838 1.00 0.00 O ATOM 720 CB ALA A 50 -0.645 -8.842 -0.342 1.00 0.00 C ATOM 0 H ALA A 50 1.488 -9.397 0.991 1.00 0.00 H new ATOM 0 HA ALA A 50 0.314 -6.943 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.625 -8.415 -0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.131 -9.060 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.767 -9.763 0.228 1.00 0.00 H new ATOM 726 N PHE A 51 -1.592 -6.641 1.608 1.00 0.00 N ATOM 727 CA PHE A 51 -2.379 -6.200 2.754 1.00 0.00 C ATOM 728 C PHE A 51 -3.340 -5.084 2.356 1.00 0.00 C ATOM 729 O PHE A 51 -3.254 -4.537 1.256 1.00 0.00 O ATOM 730 CB PHE A 51 -1.458 -5.720 3.878 1.00 0.00 C ATOM 731 CG PHE A 51 -0.088 -5.327 3.404 1.00 0.00 C ATOM 732 CD1 PHE A 51 0.087 -4.732 2.164 1.00 0.00 C ATOM 733 CD2 PHE A 51 1.025 -5.554 4.196 1.00 0.00 C ATOM 734 CE1 PHE A 51 1.346 -4.369 1.725 1.00 0.00 C ATOM 735 CE2 PHE A 51 2.287 -5.193 3.762 1.00 0.00 C ATOM 736 CZ PHE A 51 2.447 -4.601 2.525 1.00 0.00 C ATOM 0 H PHE A 51 -1.901 -6.261 0.713 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.963 -7.048 3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.920 -4.867 4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.363 -6.511 4.622 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.771 -4.550 1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.906 -6.018 5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.468 -3.905 0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.147 -5.374 4.390 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.432 -4.320 2.184 1.00 0.00 H new ATOM 746 N HIS A 52 -4.256 -4.750 3.261 1.00 0.00 N ATOM 747 CA HIS A 52 -5.235 -3.700 3.005 1.00 0.00 C ATOM 748 C HIS A 52 -4.549 -2.344 2.859 1.00 0.00 C ATOM 749 O HIS A 52 -4.132 -1.739 3.846 1.00 0.00 O ATOM 750 CB HIS A 52 -6.263 -3.645 4.135 1.00 0.00 C ATOM 751 CG HIS A 52 -7.263 -4.759 4.089 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.778 -5.355 5.221 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.843 -5.385 3.039 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.632 -6.300 4.868 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.690 -6.338 3.549 1.00 0.00 N ATOM 0 H HIS A 52 -4.340 -5.191 4.177 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.746 -3.933 2.071 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.741 -3.675 5.092 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.790 -2.692 4.089 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -7.538 -5.106 6.180 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.672 -5.174 1.994 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.188 -6.933 5.543 1.00 0.00 H new ATOM 763 N LEU A 53 -4.438 -1.873 1.622 1.00 0.00 N ATOM 764 CA LEU A 53 -3.803 -0.589 1.345 1.00 0.00 C ATOM 765 C LEU A 53 -4.169 0.439 2.411 1.00 0.00 C ATOM 766 O LEU A 53 -3.294 1.070 3.007 1.00 0.00 O ATOM 767 CB LEU A 53 -4.219 -0.078 -0.036 1.00 0.00 C ATOM 768 CG LEU A 53 -3.446 -0.653 -1.223 1.00 0.00 C ATOM 769 CD1 LEU A 53 -3.984 -0.094 -2.531 1.00 0.00 C ATOM 770 CD2 LEU A 53 -1.960 -0.355 -1.087 1.00 0.00 C ATOM 0 H LEU A 53 -4.780 -2.361 0.794 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.723 -0.735 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.278 -0.294 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.111 1.007 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.581 -1.735 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.422 -0.514 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.037 -0.357 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.880 0.991 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.426 -0.772 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.807 0.724 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.582 -0.803 -0.168 1.00 0.00 H new ATOM 782 N LEU A 54 -5.466 0.602 2.649 1.00 0.00 N ATOM 783 CA LEU A 54 -5.948 1.552 3.645 1.00 0.00 C ATOM 784 C LEU A 54 -5.248 1.340 4.984 1.00 0.00 C ATOM 785 O LEU A 54 -4.442 2.166 5.413 1.00 0.00 O ATOM 786 CB LEU A 54 -7.461 1.413 3.820 1.00 0.00 C ATOM 787 CG LEU A 54 -8.058 2.092 5.054 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.343 3.403 5.342 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.550 2.328 4.862 1.00 0.00 C ATOM 0 H LEU A 54 -6.203 0.088 2.165 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.720 2.558 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.948 1.820 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.706 0.352 3.859 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.920 1.432 5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.782 3.871 6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.286 3.209 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.448 4.070 4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.959 2.812 5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.708 2.968 3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.052 1.373 4.705 1.00 0.00 H new ATOM 801 N CYS A 55 -5.559 0.226 5.638 1.00 0.00 N ATOM 802 CA CYS A 55 -4.959 -0.097 6.927 1.00 0.00 C ATOM 803 C CYS A 55 -3.489 0.311 6.960 1.00 0.00 C ATOM 804 O CYS A 55 -3.021 0.909 7.930 1.00 0.00 O ATOM 805 CB CYS A 55 -5.091 -1.595 7.213 1.00 0.00 C ATOM 806 SG CYS A 55 -6.810 -2.197 7.241 1.00 0.00 S ATOM 0 H CYS A 55 -6.223 -0.469 5.296 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.490 0.462 7.698 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.535 -2.149 6.456 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.625 -1.813 8.174 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.865 -3.323 7.889 1.00 0.00 H new ATOM 811 N LEU A 56 -2.766 -0.016 5.895 1.00 0.00 N ATOM 812 CA LEU A 56 -1.349 0.316 5.801 1.00 0.00 C ATOM 813 C LEU A 56 -1.144 1.828 5.787 1.00 0.00 C ATOM 814 O LEU A 56 -0.306 2.358 6.519 1.00 0.00 O ATOM 815 CB LEU A 56 -0.742 -0.304 4.541 1.00 0.00 C ATOM 816 CG LEU A 56 -1.006 -1.794 4.333 1.00 0.00 C ATOM 817 CD1 LEU A 56 -0.799 -2.175 2.875 1.00 0.00 C ATOM 818 CD2 LEU A 56 -0.106 -2.627 5.235 1.00 0.00 C ATOM 0 H LEU A 56 -3.138 -0.511 5.084 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.846 -0.092 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.123 0.236 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.336 -0.147 4.566 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.043 -1.999 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.992 -3.240 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.485 -1.604 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.228 -1.954 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.308 -3.686 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.938 -2.417 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.302 -2.375 6.277 1.00 0.00 H new ATOM 830 N LEU A 57 -1.914 2.517 4.952 1.00 0.00 N ATOM 831 CA LEU A 57 -1.818 3.968 4.844 1.00 0.00 C ATOM 832 C LEU A 57 -1.716 4.611 6.224 1.00 0.00 C ATOM 833 O LEU A 57 -1.056 5.637 6.394 1.00 0.00 O ATOM 834 CB LEU A 57 -3.033 4.525 4.099 1.00 0.00 C ATOM 835 CG LEU A 57 -3.034 6.034 3.851 1.00 0.00 C ATOM 836 CD1 LEU A 57 -2.107 6.386 2.696 1.00 0.00 C ATOM 837 CD2 LEU A 57 -4.446 6.527 3.572 1.00 0.00 C ATOM 0 H LEU A 57 -2.612 2.094 4.340 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.914 4.207 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.108 4.019 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.929 4.269 4.664 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.667 6.531 4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.121 7.464 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.092 6.068 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.444 5.879 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.428 7.603 3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.840 6.023 2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.084 6.309 4.429 1.00 0.00 H new ATOM 849 N ALA A 58 -2.370 4.000 7.206 1.00 0.00 N ATOM 850 CA ALA A 58 -2.348 4.510 8.571 1.00 0.00 C ATOM 851 C ALA A 58 -1.024 4.189 9.256 1.00 0.00 C ATOM 852 O ALA A 58 -0.245 5.088 9.573 1.00 0.00 O ATOM 853 CB ALA A 58 -3.509 3.934 9.368 1.00 0.00 C ATOM 0 H ALA A 58 -2.922 3.151 7.082 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.452 5.594 8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.480 4.323 10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.450 4.218 8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.429 2.847 9.393 1.00 0.00 H new ATOM 859 N MET A 59 -0.776 2.903 9.482 1.00 0.00 N ATOM 860 CA MET A 59 0.455 2.465 10.130 1.00 0.00 C ATOM 861 C MET A 59 1.678 2.958 9.363 1.00 0.00 C ATOM 862 O MET A 59 2.791 2.964 9.889 1.00 0.00 O ATOM 863 CB MET A 59 0.485 0.939 10.236 1.00 0.00 C ATOM 864 CG MET A 59 0.189 0.233 8.923 1.00 0.00 C ATOM 865 SD MET A 59 1.460 0.522 7.676 1.00 0.00 S ATOM 866 CE MET A 59 2.870 -0.278 8.440 1.00 0.00 C ATOM 0 H MET A 59 -1.411 2.146 9.226 1.00 0.00 H new ATOM 0 HA MET A 59 0.481 2.892 11.133 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.466 0.627 10.594 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.243 0.620 10.983 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.099 -0.838 9.103 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.773 0.574 8.541 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.517 -0.692 7.666 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.428 0.451 9.028 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.524 -1.081 9.091 1.00 0.00 H new ATOM 876 N TYR A 60 1.464 3.370 8.118 1.00 0.00 N ATOM 877 CA TYR A 60 2.550 3.862 7.279 1.00 0.00 C ATOM 878 C TYR A 60 3.111 5.171 7.827 1.00 0.00 C ATOM 879 O TYR A 60 4.193 5.607 7.433 1.00 0.00 O ATOM 880 CB TYR A 60 2.061 4.064 5.844 1.00 0.00 C ATOM 881 CG TYR A 60 2.457 5.398 5.252 1.00 0.00 C ATOM 882 CD1 TYR A 60 3.353 5.470 4.192 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.937 6.585 5.753 1.00 0.00 C ATOM 884 CE1 TYR A 60 3.719 6.687 3.648 1.00 0.00 C ATOM 885 CE2 TYR A 60 2.296 7.806 5.214 1.00 0.00 C ATOM 886 CZ TYR A 60 3.186 7.852 4.162 1.00 0.00 C ATOM 887 OH TYR A 60 3.548 9.065 3.624 1.00 0.00 O ATOM 0 H TYR A 60 0.549 3.373 7.668 1.00 0.00 H new ATOM 0 HA TYR A 60 3.346 3.117 7.283 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.459 3.265 5.218 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.975 3.975 5.823 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.770 4.560 3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.240 6.553 6.578 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.418 6.726 2.826 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.882 8.719 5.615 1.00 0.00 H new ATOM 0 HH TYR A 60 3.083 9.785 4.099 1.00 0.00 H new ATOM 897 N CYS A 61 2.368 5.791 8.736 1.00 0.00 N ATOM 898 CA CYS A 61 2.790 7.050 9.339 1.00 0.00 C ATOM 899 C CYS A 61 4.078 6.867 10.135 1.00 0.00 C ATOM 900 O CYS A 61 4.695 7.839 10.570 1.00 0.00 O ATOM 901 CB CYS A 61 1.689 7.600 10.246 1.00 0.00 C ATOM 902 SG CYS A 61 0.579 8.773 9.433 1.00 0.00 S ATOM 0 H CYS A 61 1.470 5.443 9.072 1.00 0.00 H new ATOM 0 HA CYS A 61 2.979 7.763 8.537 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.101 6.767 10.631 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.150 8.088 11.104 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.319 9.180 10.281 1.00 0.00 H new ATOM 908 N ASN A 62 4.477 5.613 10.325 1.00 0.00 N ATOM 909 CA ASN A 62 5.691 5.302 11.071 1.00 0.00 C ATOM 910 C ASN A 62 6.865 5.065 10.128 1.00 0.00 C ATOM 911 O ASN A 62 7.895 5.731 10.222 1.00 0.00 O ATOM 912 CB ASN A 62 5.471 4.069 11.951 1.00 0.00 C ATOM 913 CG ASN A 62 5.584 4.384 13.430 1.00 0.00 C ATOM 914 OD1 ASN A 62 6.441 3.842 14.128 1.00 0.00 O ATOM 915 ND2 ASN A 62 4.717 5.266 13.913 1.00 0.00 N ATOM 0 H ASN A 62 3.977 4.796 9.973 1.00 0.00 H new ATOM 0 HA ASN A 62 5.926 6.156 11.705 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.485 3.651 11.746 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.202 3.304 11.689 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.744 5.520 14.901 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.024 5.690 13.296 1.00 0.00 H new ATOM 922 N GLY A 63 6.702 4.111 9.215 1.00 0.00 N ATOM 923 CA GLY A 63 7.755 3.803 8.266 1.00 0.00 C ATOM 924 C GLY A 63 7.334 4.049 6.832 1.00 0.00 C ATOM 925 O GLY A 63 6.243 4.559 6.577 1.00 0.00 O ATOM 0 H GLY A 63 5.858 3.546 9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.632 4.409 8.493 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.049 2.760 8.381 1.00 0.00 H new ATOM 929 N ASN A 64 8.199 3.685 5.891 1.00 0.00 N ATOM 930 CA ASN A 64 7.911 3.872 4.474 1.00 0.00 C ATOM 931 C ASN A 64 7.096 5.142 4.246 1.00 0.00 C ATOM 932 O ASN A 64 6.114 5.138 3.505 1.00 0.00 O ATOM 933 CB ASN A 64 7.155 2.661 3.923 1.00 0.00 C ATOM 934 CG ASN A 64 8.080 1.513 3.569 1.00 0.00 C ATOM 935 OD1 ASN A 64 9.196 1.422 4.079 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.618 0.630 2.692 1.00 0.00 N ATOM 0 H ASN A 64 9.105 3.259 6.084 1.00 0.00 H new ATOM 0 HA ASN A 64 8.859 3.972 3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.428 2.323 4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.594 2.959 3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.195 -0.164 2.416 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.686 0.746 2.295 1.00 0.00 H new ATOM 943 N LYS A 65 7.513 6.228 4.887 1.00 0.00 N ATOM 944 CA LYS A 65 6.825 7.507 4.756 1.00 0.00 C ATOM 945 C LYS A 65 7.356 8.289 3.558 1.00 0.00 C ATOM 946 O LYS A 65 8.140 9.225 3.715 1.00 0.00 O ATOM 947 CB LYS A 65 6.991 8.334 6.033 1.00 0.00 C ATOM 948 CG LYS A 65 5.731 9.076 6.444 1.00 0.00 C ATOM 949 CD LYS A 65 5.612 9.178 7.956 1.00 0.00 C ATOM 950 CE LYS A 65 6.763 9.974 8.553 1.00 0.00 C ATOM 951 NZ LYS A 65 6.904 11.311 7.913 1.00 0.00 N ATOM 0 H LYS A 65 8.325 6.248 5.503 1.00 0.00 H new ATOM 0 HA LYS A 65 5.765 7.306 4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.296 7.675 6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.796 9.054 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.739 10.076 6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.858 8.562 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.666 9.653 8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.596 8.178 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.601 10.099 9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.691 9.415 8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.542 11.903 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.297 11.198 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.971 11.767 7.852 1.00 0.00 H new ATOM 965 N ASP A 66 6.922 7.901 2.364 1.00 0.00 N ATOM 966 CA ASP A 66 7.353 8.567 1.141 1.00 0.00 C ATOM 967 C ASP A 66 6.156 9.123 0.375 1.00 0.00 C ATOM 968 O ASP A 66 6.201 10.237 -0.144 1.00 0.00 O ATOM 969 CB ASP A 66 8.135 7.598 0.254 1.00 0.00 C ATOM 970 CG ASP A 66 9.255 8.283 -0.504 1.00 0.00 C ATOM 971 OD1 ASP A 66 10.412 8.223 -0.037 1.00 0.00 O ATOM 972 OD2 ASP A 66 8.975 8.877 -1.566 1.00 0.00 O ATOM 0 H ASP A 66 6.272 7.129 2.217 1.00 0.00 H new ATOM 0 HA ASP A 66 8.003 9.397 1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.551 6.801 0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.454 7.129 -0.456 1.00 0.00 H new ATOM 977 N GLY A 67 5.085 8.337 0.309 1.00 0.00 N ATOM 978 CA GLY A 67 3.891 8.767 -0.395 1.00 0.00 C ATOM 979 C GLY A 67 3.032 7.602 -0.843 1.00 0.00 C ATOM 980 O GLY A 67 2.474 7.619 -1.941 1.00 0.00 O ATOM 0 H GLY A 67 5.023 7.410 0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.305 9.418 0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.179 9.358 -1.265 1.00 0.00 H new ATOM 984 N SER A 68 2.923 6.587 0.009 1.00 0.00 N ATOM 985 CA SER A 68 2.129 5.406 -0.308 1.00 0.00 C ATOM 986 C SER A 68 1.670 4.703 0.966 1.00 0.00 C ATOM 987 O SER A 68 0.643 5.057 1.549 1.00 0.00 O ATOM 988 CB SER A 68 2.938 4.438 -1.174 1.00 0.00 C ATOM 989 OG SER A 68 3.148 4.969 -2.471 1.00 0.00 O ATOM 0 H SER A 68 3.374 6.559 0.923 1.00 0.00 H new ATOM 0 HA SER A 68 1.248 5.729 -0.863 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.899 4.237 -0.700 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.413 3.486 -1.248 1.00 0.00 H new ATOM 0 HG SER A 68 2.829 5.895 -2.501 1.00 0.00 H new ATOM 995 N LEU A 69 2.437 3.706 1.394 1.00 0.00 N ATOM 996 CA LEU A 69 2.110 2.953 2.599 1.00 0.00 C ATOM 997 C LEU A 69 3.343 2.243 3.149 1.00 0.00 C ATOM 998 O LEU A 69 4.454 2.442 2.658 1.00 0.00 O ATOM 999 CB LEU A 69 1.009 1.932 2.304 1.00 0.00 C ATOM 1000 CG LEU A 69 1.265 0.991 1.126 1.00 0.00 C ATOM 1001 CD1 LEU A 69 1.011 1.706 -0.192 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.686 0.449 1.175 1.00 0.00 C ATOM 0 H LEU A 69 3.289 3.401 0.924 1.00 0.00 H new ATOM 0 HA LEU A 69 1.753 3.657 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.852 1.328 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.081 2.472 2.117 1.00 0.00 H new ATOM 0 HG LEU A 69 0.574 0.151 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.198 1.021 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.024 2.045 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.677 2.565 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.850 -0.219 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.393 1.277 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.834 -0.100 2.105 1.00 0.00 H new ATOM 1014 N GLN A 70 3.139 1.416 4.169 1.00 0.00 N ATOM 1015 CA GLN A 70 4.234 0.675 4.784 1.00 0.00 C ATOM 1016 C GLN A 70 3.848 -0.783 5.007 1.00 0.00 C ATOM 1017 O GLN A 70 2.666 -1.119 5.076 1.00 0.00 O ATOM 1018 CB GLN A 70 4.631 1.320 6.112 1.00 0.00 C ATOM 1019 CG GLN A 70 5.876 0.712 6.736 1.00 0.00 C ATOM 1020 CD GLN A 70 6.104 1.179 8.160 1.00 0.00 C ATOM 1021 OE1 GLN A 70 5.313 1.949 8.707 1.00 0.00 O ATOM 1022 NE2 GLN A 70 7.188 0.714 8.770 1.00 0.00 N ATOM 0 H GLN A 70 2.225 1.242 4.587 1.00 0.00 H new ATOM 0 HA GLN A 70 5.086 0.705 4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.798 2.385 5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.802 1.228 6.813 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.790 -0.375 6.724 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.744 0.970 6.130 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.816 0.078 8.279 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.392 0.993 9.730 1.00 0.00 H new ATOM 1031 N CYS A 71 4.853 -1.645 5.119 1.00 0.00 N ATOM 1032 CA CYS A 71 4.619 -3.068 5.335 1.00 0.00 C ATOM 1033 C CYS A 71 4.772 -3.428 6.810 1.00 0.00 C ATOM 1034 O CYS A 71 5.880 -3.570 7.328 1.00 0.00 O ATOM 1035 CB CYS A 71 5.591 -3.898 4.493 1.00 0.00 C ATOM 1036 SG CYS A 71 5.665 -5.658 4.961 1.00 0.00 S ATOM 0 H CYS A 71 5.837 -1.383 5.064 1.00 0.00 H new ATOM 0 HA CYS A 71 3.597 -3.293 5.029 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.302 -3.824 3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.589 -3.468 4.580 1.00 0.00 H new ATOM 0 HG CYS A 71 6.436 -6.296 4.131 1.00 0.00 H new ATOM 1041 N PRO A 72 3.634 -3.579 7.503 1.00 0.00 N ATOM 1042 CA PRO A 72 3.615 -3.924 8.927 1.00 0.00 C ATOM 1043 C PRO A 72 4.075 -5.354 9.183 1.00 0.00 C ATOM 1044 O PRO A 72 4.238 -5.768 10.331 1.00 0.00 O ATOM 1045 CB PRO A 72 2.142 -3.759 9.312 1.00 0.00 C ATOM 1046 CG PRO A 72 1.394 -3.960 8.039 1.00 0.00 C ATOM 1047 CD PRO A 72 2.278 -3.424 6.949 1.00 0.00 C ATOM 0 HA PRO A 72 4.294 -3.299 9.507 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.845 -4.489 10.065 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.951 -2.772 9.732 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.174 -5.015 7.879 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.439 -3.435 8.061 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.156 -3.983 6.021 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.052 -2.382 6.725 1.00 0.00 H new ATOM 1055 N SER A 73 4.283 -6.106 8.107 1.00 0.00 N ATOM 1056 CA SER A 73 4.721 -7.492 8.215 1.00 0.00 C ATOM 1057 C SER A 73 6.184 -7.568 8.642 1.00 0.00 C ATOM 1058 O SER A 73 6.498 -8.000 9.752 1.00 0.00 O ATOM 1059 CB SER A 73 4.531 -8.216 6.881 1.00 0.00 C ATOM 1060 OG SER A 73 3.607 -9.283 7.007 1.00 0.00 O ATOM 0 H SER A 73 4.155 -5.778 7.150 1.00 0.00 H new ATOM 0 HA SER A 73 4.112 -7.980 8.975 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.177 -7.511 6.128 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.490 -8.600 6.532 1.00 0.00 H new ATOM 0 HG SER A 73 3.502 -9.729 6.141 1.00 0.00 H new ATOM 1066 N CYS A 74 7.076 -7.143 7.753 1.00 0.00 N ATOM 1067 CA CYS A 74 8.507 -7.161 8.035 1.00 0.00 C ATOM 1068 C CYS A 74 9.053 -5.743 8.168 1.00 0.00 C ATOM 1069 O CYS A 74 10.266 -5.534 8.208 1.00 0.00 O ATOM 1070 CB CYS A 74 9.256 -7.907 6.931 1.00 0.00 C ATOM 1071 SG CYS A 74 9.421 -6.968 5.379 1.00 0.00 S ATOM 0 H CYS A 74 6.833 -6.782 6.831 1.00 0.00 H new ATOM 0 HA CYS A 74 8.659 -7.680 8.982 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.251 -8.167 7.293 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.737 -8.843 6.723 1.00 0.00 H new ATOM 0 HG CYS A 74 8.272 -6.449 5.062 1.00 0.00 H new ATOM 1076 N LYS A 75 8.150 -4.771 8.236 1.00 0.00 N ATOM 1077 CA LYS A 75 8.540 -3.371 8.364 1.00 0.00 C ATOM 1078 C LYS A 75 9.393 -2.932 7.179 1.00 0.00 C ATOM 1079 O LYS A 75 10.478 -2.377 7.353 1.00 0.00 O ATOM 1080 CB LYS A 75 9.309 -3.153 9.669 1.00 0.00 C ATOM 1081 CG LYS A 75 8.421 -2.784 10.844 1.00 0.00 C ATOM 1082 CD LYS A 75 8.150 -3.982 11.737 1.00 0.00 C ATOM 1083 CE LYS A 75 9.243 -4.159 12.780 1.00 0.00 C ATOM 1084 NZ LYS A 75 8.973 -5.316 13.677 1.00 0.00 N ATOM 0 H LYS A 75 7.142 -4.927 8.205 1.00 0.00 H new ATOM 0 HA LYS A 75 7.633 -2.767 8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.860 -4.061 9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.046 -2.364 9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.897 -1.995 11.427 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.477 -2.383 10.476 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.188 -3.856 12.234 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.078 -4.883 11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.201 -4.303 12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.327 -3.250 13.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.741 -5.402 14.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.071 -5.168 14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.918 -6.188 13.112 1.00 0.00 H new ATOM 1098 N THR A 76 8.896 -3.184 5.971 1.00 0.00 N ATOM 1099 CA THR A 76 9.613 -2.815 4.758 1.00 0.00 C ATOM 1100 C THR A 76 8.862 -1.739 3.982 1.00 0.00 C ATOM 1101 O THR A 76 8.342 -0.808 4.594 1.00 0.00 O ATOM 1102 CB THR A 76 9.832 -4.034 3.841 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.987 -4.765 4.267 1.00 0.00 O ATOM 1104 CG2 THR A 76 10.005 -3.599 2.394 1.00 0.00 C ATOM 0 H THR A 76 7.999 -3.642 5.808 1.00 0.00 H new ATOM 0 HA THR A 76 10.582 -2.426 5.070 1.00 0.00 H new ATOM 0 HB THR A 76 8.952 -4.674 3.908 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.717 -5.463 4.900 1.00 0.00 H new ATOM 0 HG21 THR A 76 10.158 -4.477 1.766 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.112 -3.068 2.064 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.869 -2.940 2.313 1.00 0.00 H new