USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 684 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 22 TYR OH : rot 102:sc= 0.154 USER MOD Set 1.2: A 102 HIS : no HE2:sc= -0.382 X(o=-0.49,f=-0.57!) USER MOD Set 1.3: A 105 SER OG : rot -155:sc= -0.259 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 1.04 K(o=2.3,f=-3.6!) USER MOD Set 2.2: A 119 THR OG1 : rot 69:sc= 1.28 USER MOD Set 3.1: A 64 MET CE :methyl -164:sc= -0.106 (180deg=-0.23) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.02 K(o=0.92,f=-0.19) USER MOD Set 4.1: A 28 HIS : no HE2:sc= 1.05 K(o=1.7,f=-11!) USER MOD Set 4.2: A 40 SER OG : rot 179:sc= 0.628 USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.17) USER MOD Single : A 29 SER OG : rot 124:sc= 0.231 USER MOD Single : A 41 LYS NZ :NH3+ 138:sc= 2.37 (180deg=0.707) USER MOD Single : A 47 TYR OH : rot -164:sc= 1.23 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -1.1 X(o=-1.1,f=-1.3) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= 0.154 (180deg=0.0163) USER MOD Single : A 61 SER OG : rot -77:sc= 0.482 USER MOD Single : A 65 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -160:sc= 0 USER MOD Single : A 71 CYS SG : rot 70:sc= -1.45 USER MOD Single : A 73 CYS SG : rot 130:sc= 0.852 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 110:sc= 0.298 USER MOD Single : A 95 MET CE :methyl 176:sc= 0 (180deg=-0.0309) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0547 X(o=-0.055,f=-0.055) USER MOD Single : A 106 THR OG1 : rot 160:sc= 0.00164 USER MOD Single : A 108 LYS NZ :NH3+ 158:sc= 1.9 (180deg=0.69) USER MOD Single : A 110 LYS NZ :NH3+ -176:sc= 1.31 (180deg=1.25) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.406 -8.977 15.523 1.00 0.00 N ATOM 47 CA ALA A 4 -7.091 -9.431 14.178 1.00 0.00 C ATOM 48 C ALA A 4 -5.733 -10.146 14.221 1.00 0.00 C ATOM 49 O ALA A 4 -5.189 -10.396 15.299 1.00 0.00 O ATOM 50 CB ALA A 4 -7.066 -8.206 13.249 1.00 0.00 C ATOM 0 HA ALA A 4 -7.835 -10.131 13.798 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.831 -8.524 12.233 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.042 -7.721 13.261 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.307 -7.503 13.594 1.00 0.00 H new ATOM 56 N ASP A 5 -5.166 -10.448 13.055 1.00 0.00 N ATOM 57 CA ASP A 5 -3.798 -10.931 12.897 1.00 0.00 C ATOM 58 C ASP A 5 -3.288 -10.378 11.570 1.00 0.00 C ATOM 59 O ASP A 5 -4.077 -10.212 10.636 1.00 0.00 O ATOM 60 CB ASP A 5 -3.759 -12.465 12.891 1.00 0.00 C ATOM 61 CG ASP A 5 -2.327 -12.972 12.666 1.00 0.00 C ATOM 62 OD1 ASP A 5 -1.915 -13.118 11.495 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.608 -13.208 13.663 1.00 0.00 O ATOM 0 H ASP A 5 -5.662 -10.360 12.168 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.173 -10.600 13.726 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.140 -12.847 13.838 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.413 -12.847 12.107 1.00 0.00 H new ATOM 68 N LEU A 6 -1.993 -10.069 11.473 1.00 0.00 N ATOM 69 CA LEU A 6 -1.420 -9.399 10.313 1.00 0.00 C ATOM 70 C LEU A 6 -1.623 -10.181 9.012 1.00 0.00 C ATOM 71 O LEU A 6 -1.723 -9.561 7.951 1.00 0.00 O ATOM 72 CB LEU A 6 0.077 -9.136 10.532 1.00 0.00 C ATOM 73 CG LEU A 6 0.451 -8.254 11.740 1.00 0.00 C ATOM 74 CD1 LEU A 6 1.953 -7.961 11.704 1.00 0.00 C ATOM 75 CD2 LEU A 6 -0.308 -6.924 11.772 1.00 0.00 C ATOM 0 H LEU A 6 -1.312 -10.279 12.203 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.951 -8.453 10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.580 -10.097 10.643 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.477 -8.669 9.632 1.00 0.00 H new ATOM 0 HG LEU A 6 0.174 -8.810 12.636 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.223 -7.337 12.556 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.508 -8.898 11.750 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.200 -7.438 10.780 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.000 -6.350 12.646 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.086 -6.356 10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.379 -7.118 11.825 1.00 0.00 H new ATOM 87 N ALA A 7 -1.708 -11.514 9.061 1.00 0.00 N ATOM 88 CA ALA A 7 -1.958 -12.329 7.882 1.00 0.00 C ATOM 89 C ALA A 7 -3.372 -12.111 7.325 1.00 0.00 C ATOM 90 O ALA A 7 -3.595 -12.320 6.131 1.00 0.00 O ATOM 91 CB ALA A 7 -1.744 -13.809 8.215 1.00 0.00 C ATOM 0 H ALA A 7 -1.605 -12.052 9.921 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.251 -12.023 7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.933 -14.413 7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.717 -13.963 8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.430 -14.106 9.009 1.00 0.00 H new ATOM 97 N LEU A 8 -4.327 -11.710 8.172 1.00 0.00 N ATOM 98 CA LEU A 8 -5.721 -11.509 7.784 1.00 0.00 C ATOM 99 C LEU A 8 -5.925 -10.133 7.148 1.00 0.00 C ATOM 100 O LEU A 8 -6.883 -9.959 6.393 1.00 0.00 O ATOM 101 CB LEU A 8 -6.653 -11.646 9.004 1.00 0.00 C ATOM 102 CG LEU A 8 -6.596 -13.008 9.724 1.00 0.00 C ATOM 103 CD1 LEU A 8 -7.495 -12.975 10.965 1.00 0.00 C ATOM 104 CD2 LEU A 8 -7.026 -14.168 8.817 1.00 0.00 C ATOM 0 H LEU A 8 -4.148 -11.515 9.157 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.968 -12.278 7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.404 -10.863 9.721 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.678 -11.467 8.680 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.558 -13.179 10.010 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.452 -13.939 11.471 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.151 -12.194 11.643 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.522 -12.768 10.665 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.968 -15.104 9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.051 -14.007 8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.365 -14.217 7.952 1.00 0.00 H new ATOM 116 N ILE A 9 -5.062 -9.154 7.448 1.00 0.00 N ATOM 117 CA ILE A 9 -5.187 -7.800 6.912 1.00 0.00 C ATOM 118 C ILE A 9 -4.973 -7.878 5.390 1.00 0.00 C ATOM 119 O ILE A 9 -3.946 -8.435 4.977 1.00 0.00 O ATOM 120 CB ILE A 9 -4.177 -6.832 7.573 1.00 0.00 C ATOM 121 CG1 ILE A 9 -4.303 -6.872 9.115 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.380 -5.397 7.046 1.00 0.00 C ATOM 123 CD1 ILE A 9 -3.316 -5.968 9.860 1.00 0.00 C ATOM 0 H ILE A 9 -4.261 -9.281 8.067 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.178 -7.403 7.132 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.171 -7.156 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.318 -6.585 9.391 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.160 -7.899 9.451 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.661 -4.730 7.522 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.230 -5.381 5.966 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.392 -5.064 7.277 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.477 -6.061 10.934 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.296 -6.267 9.619 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.472 -4.932 9.558 1.00 0.00 H new ATOM 135 N PRO A 10 -5.880 -7.308 4.569 1.00 0.00 N ATOM 136 CA PRO A 10 -5.707 -7.171 3.128 1.00 0.00 C ATOM 137 C PRO A 10 -4.308 -6.678 2.775 1.00 0.00 C ATOM 138 O PRO A 10 -3.893 -5.605 3.218 1.00 0.00 O ATOM 139 CB PRO A 10 -6.783 -6.179 2.680 1.00 0.00 C ATOM 140 CG PRO A 10 -7.914 -6.441 3.669 1.00 0.00 C ATOM 141 CD PRO A 10 -7.155 -6.721 4.964 1.00 0.00 C ATOM 0 HA PRO A 10 -5.812 -8.130 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.431 -5.149 2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.095 -6.358 1.651 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.578 -5.582 3.764 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.530 -7.288 3.367 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.002 -5.803 5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.715 -7.402 5.604 1.00 0.00 H new ATOM 149 N ASP A 11 -3.568 -7.462 1.994 1.00 0.00 N ATOM 150 CA ASP A 11 -2.151 -7.205 1.745 1.00 0.00 C ATOM 151 C ASP A 11 -1.965 -6.095 0.704 1.00 0.00 C ATOM 152 O ASP A 11 -1.080 -5.248 0.824 1.00 0.00 O ATOM 153 CB ASP A 11 -1.482 -8.515 1.313 1.00 0.00 C ATOM 154 CG ASP A 11 -0.006 -8.520 1.697 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.288 -8.536 2.915 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.863 -8.530 0.802 1.00 0.00 O ATOM 0 H ASP A 11 -3.931 -8.288 1.519 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.675 -6.851 2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.988 -9.359 1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.583 -8.642 0.235 1.00 0.00 H new ATOM 161 N VAL A 12 -2.892 -6.018 -0.254 1.00 0.00 N ATOM 162 CA VAL A 12 -3.025 -4.962 -1.251 1.00 0.00 C ATOM 163 C VAL A 12 -4.524 -4.660 -1.314 1.00 0.00 C ATOM 164 O VAL A 12 -5.336 -5.586 -1.253 1.00 0.00 O ATOM 165 CB VAL A 12 -2.484 -5.434 -2.622 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.605 -4.347 -3.704 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.013 -5.864 -2.556 1.00 0.00 C ATOM 0 H VAL A 12 -3.610 -6.735 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.450 -4.074 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.105 -6.290 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.212 -4.727 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.653 -4.075 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.036 -3.468 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.683 -6.186 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.403 -5.023 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.906 -6.689 -1.851 1.00 0.00 H new ATOM 177 N ASP A 13 -4.895 -3.384 -1.432 1.00 0.00 N ATOM 178 CA ASP A 13 -6.271 -2.987 -1.706 1.00 0.00 C ATOM 179 C ASP A 13 -6.244 -1.657 -2.448 1.00 0.00 C ATOM 180 O ASP A 13 -5.540 -0.732 -2.034 1.00 0.00 O ATOM 181 CB ASP A 13 -7.092 -2.863 -0.417 1.00 0.00 C ATOM 182 CG ASP A 13 -8.566 -2.605 -0.761 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.244 -3.533 -1.254 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.050 -1.476 -0.533 1.00 0.00 O ATOM 0 H ASP A 13 -4.249 -2.600 -1.340 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.750 -3.754 -2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.001 -3.776 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.704 -2.049 0.195 1.00 0.00 H new ATOM 189 N ILE A 14 -6.975 -1.594 -3.560 1.00 0.00 N ATOM 190 CA ILE A 14 -7.094 -0.457 -4.466 1.00 0.00 C ATOM 191 C ILE A 14 -8.516 -0.497 -5.049 1.00 0.00 C ATOM 192 O ILE A 14 -9.164 -1.549 -5.027 1.00 0.00 O ATOM 193 CB ILE A 14 -6.014 -0.508 -5.585 1.00 0.00 C ATOM 194 CG1 ILE A 14 -6.090 -1.805 -6.430 1.00 0.00 C ATOM 195 CG2 ILE A 14 -4.595 -0.312 -5.015 1.00 0.00 C ATOM 196 CD1 ILE A 14 -5.137 -1.833 -7.632 1.00 0.00 C ATOM 0 H ILE A 14 -7.535 -2.388 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.927 0.479 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.232 0.325 -6.254 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.870 -2.657 -5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.112 -1.932 -6.788 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.868 -0.354 -5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.532 0.658 -4.521 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.380 -1.101 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.255 -2.775 -8.168 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.370 -1.004 -8.300 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.109 -1.740 -7.283 1.00 0.00 H new ATOM 266 N PHE A 20 -3.171 7.164 -10.018 1.00 0.00 N ATOM 267 CA PHE A 20 -3.657 7.505 -8.680 1.00 0.00 C ATOM 268 C PHE A 20 -2.542 7.245 -7.665 1.00 0.00 C ATOM 269 O PHE A 20 -1.680 6.390 -7.883 1.00 0.00 O ATOM 270 CB PHE A 20 -4.930 6.728 -8.306 1.00 0.00 C ATOM 271 CG PHE A 20 -4.790 5.214 -8.336 1.00 0.00 C ATOM 272 CD1 PHE A 20 -4.952 4.513 -9.547 1.00 0.00 C ATOM 273 CD2 PHE A 20 -4.486 4.501 -7.160 1.00 0.00 C ATOM 274 CE1 PHE A 20 -4.798 3.116 -9.587 1.00 0.00 C ATOM 275 CE2 PHE A 20 -4.345 3.102 -7.196 1.00 0.00 C ATOM 276 CZ PHE A 20 -4.498 2.409 -8.409 1.00 0.00 C ATOM 0 HA PHE A 20 -3.928 8.561 -8.671 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.241 7.029 -7.306 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.728 7.018 -8.989 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.196 5.052 -10.450 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.361 5.030 -6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.910 2.586 -10.522 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.119 2.559 -6.290 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.385 1.335 -8.436 1.00 0.00 H new ATOM 286 N LYS A 21 -2.539 8.004 -6.566 1.00 0.00 N ATOM 287 CA LYS A 21 -1.512 7.922 -5.533 1.00 0.00 C ATOM 288 C LYS A 21 -1.740 6.698 -4.654 1.00 0.00 C ATOM 289 O LYS A 21 -2.871 6.224 -4.509 1.00 0.00 O ATOM 290 CB LYS A 21 -1.523 9.211 -4.701 1.00 0.00 C ATOM 291 CG LYS A 21 -0.973 10.393 -5.514 1.00 0.00 C ATOM 292 CD LYS A 21 -1.136 11.717 -4.762 1.00 0.00 C ATOM 293 CE LYS A 21 -0.560 12.863 -5.609 1.00 0.00 C ATOM 294 NZ LYS A 21 -0.693 14.182 -4.945 1.00 0.00 N ATOM 0 H LYS A 21 -3.259 8.699 -6.370 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.533 7.816 -6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.540 9.430 -4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.923 9.073 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.082 10.226 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.492 10.451 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.190 11.900 -4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.623 11.667 -3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.493 12.667 -5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.071 12.891 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.336 14.927 -5.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.694 14.362 -4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.142 14.184 -4.063 1.00 0.00 H new ATOM 308 N TYR A 22 -0.668 6.208 -4.039 1.00 0.00 N ATOM 309 CA TYR A 22 -0.670 5.061 -3.150 1.00 0.00 C ATOM 310 C TYR A 22 0.392 5.298 -2.057 1.00 0.00 C ATOM 311 O TYR A 22 1.290 6.127 -2.228 1.00 0.00 O ATOM 312 CB TYR A 22 -0.450 3.768 -3.974 1.00 0.00 C ATOM 313 CG TYR A 22 0.923 3.165 -3.815 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.995 3.681 -4.555 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.148 2.205 -2.813 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.308 3.316 -4.230 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.457 1.827 -2.486 1.00 0.00 C ATOM 318 CZ TYR A 22 3.541 2.411 -3.170 1.00 0.00 C ATOM 319 OH TYR A 22 4.806 2.123 -2.778 1.00 0.00 O ATOM 0 H TYR A 22 0.259 6.618 -4.153 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.629 4.935 -2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.196 3.030 -3.679 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.619 3.988 -5.028 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.809 4.359 -5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.312 1.759 -2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.138 3.724 -4.787 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.634 1.092 -1.714 1.00 0.00 H new ATOM 0 HH TYR A 22 5.016 2.619 -1.959 1.00 0.00 H new ATOM 329 N VAL A 23 0.323 4.560 -0.948 1.00 0.00 N ATOM 330 CA VAL A 23 1.337 4.551 0.101 1.00 0.00 C ATOM 331 C VAL A 23 1.668 3.111 0.476 1.00 0.00 C ATOM 332 O VAL A 23 0.839 2.201 0.344 1.00 0.00 O ATOM 333 CB VAL A 23 0.908 5.368 1.341 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.882 6.873 1.051 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.444 4.912 1.909 1.00 0.00 C ATOM 0 H VAL A 23 -0.461 3.937 -0.752 1.00 0.00 H new ATOM 0 HA VAL A 23 2.232 5.036 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 23 1.666 5.177 2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.576 7.411 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.877 7.203 0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.175 7.076 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.697 5.519 2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.216 5.028 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.380 3.865 2.204 1.00 0.00 H new ATOM 345 N LEU A 24 2.885 2.932 0.985 1.00 0.00 N ATOM 346 CA LEU A 24 3.399 1.667 1.475 1.00 0.00 C ATOM 347 C LEU A 24 3.444 1.840 2.988 1.00 0.00 C ATOM 348 O LEU A 24 4.129 2.752 3.457 1.00 0.00 O ATOM 349 CB LEU A 24 4.803 1.441 0.879 1.00 0.00 C ATOM 350 CG LEU A 24 5.315 -0.010 0.887 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.297 -0.663 2.271 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.503 -0.866 -0.085 1.00 0.00 C ATOM 0 H LEU A 24 3.559 3.693 1.068 1.00 0.00 H new ATOM 0 HA LEU A 24 2.795 0.803 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.800 1.798 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.513 2.059 1.429 1.00 0.00 H new ATOM 0 HG LEU A 24 6.358 0.042 0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.672 -1.684 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.930 -0.093 2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.276 -0.678 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.877 -1.890 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.454 -0.858 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.598 -0.462 -1.093 1.00 0.00 H new ATOM 364 N ILE A 25 2.719 1.028 3.757 1.00 0.00 N ATOM 365 CA ILE A 25 2.598 1.217 5.202 1.00 0.00 C ATOM 366 C ILE A 25 3.084 -0.056 5.881 1.00 0.00 C ATOM 367 O ILE A 25 2.589 -1.142 5.582 1.00 0.00 O ATOM 368 CB ILE A 25 1.155 1.602 5.630 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.455 2.591 4.666 1.00 0.00 C ATOM 370 CG2 ILE A 25 1.192 2.190 7.052 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.973 2.967 5.093 1.00 0.00 C ATOM 0 H ILE A 25 2.202 0.225 3.398 1.00 0.00 H new ATOM 0 HA ILE A 25 3.216 2.059 5.515 1.00 0.00 H new ATOM 0 HB ILE A 25 0.563 0.688 5.600 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.054 3.499 4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.422 2.151 3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.182 2.463 7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.593 1.448 7.742 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.826 3.076 7.063 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.398 3.662 4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.588 2.068 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.947 3.437 6.076 1.00 0.00 H new ATOM 383 N ARG A 26 4.068 0.067 6.771 1.00 0.00 N ATOM 384 CA ARG A 26 4.486 -1.015 7.652 1.00 0.00 C ATOM 385 C ARG A 26 3.461 -1.114 8.777 1.00 0.00 C ATOM 386 O ARG A 26 2.936 -0.090 9.212 1.00 0.00 O ATOM 387 CB ARG A 26 5.887 -0.706 8.200 1.00 0.00 C ATOM 388 CG ARG A 26 6.518 -1.922 8.903 1.00 0.00 C ATOM 389 CD ARG A 26 7.915 -1.609 9.449 1.00 0.00 C ATOM 390 NE ARG A 26 7.842 -0.676 10.586 1.00 0.00 N ATOM 391 CZ ARG A 26 8.229 0.602 10.631 1.00 0.00 C ATOM 392 NH1 ARG A 26 8.792 1.211 9.596 1.00 0.00 N ATOM 393 NH2 ARG A 26 8.038 1.305 11.737 1.00 0.00 N ATOM 0 H ARG A 26 4.599 0.928 6.899 1.00 0.00 H new ATOM 0 HA ARG A 26 4.537 -1.966 7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.533 -0.386 7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.825 0.126 8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.873 -2.243 9.721 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.581 -2.754 8.201 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.402 -2.532 9.763 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.530 -1.177 8.659 1.00 0.00 H new ATOM 0 HE ARG A 26 7.446 -1.053 11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.943 0.702 8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.074 2.189 9.671 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.598 0.870 12.548 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.331 2.281 11.778 1.00 0.00 H new ATOM 407 N VAL A 27 3.230 -2.320 9.278 1.00 0.00 N ATOM 408 CA VAL A 27 2.277 -2.646 10.325 1.00 0.00 C ATOM 409 C VAL A 27 3.024 -3.551 11.311 1.00 0.00 C ATOM 410 O VAL A 27 3.821 -4.393 10.889 1.00 0.00 O ATOM 411 CB VAL A 27 1.053 -3.370 9.709 1.00 0.00 C ATOM 412 CG1 VAL A 27 -0.102 -3.459 10.716 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.513 -2.723 8.419 1.00 0.00 C ATOM 0 H VAL A 27 3.733 -3.142 8.944 1.00 0.00 H new ATOM 0 HA VAL A 27 1.900 -1.757 10.831 1.00 0.00 H new ATOM 0 HB VAL A 27 1.427 -4.361 9.450 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.947 -3.972 10.256 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.224 -4.014 11.596 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.405 -2.455 11.012 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.342 -3.293 8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.204 -1.699 8.627 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.295 -2.719 7.659 1.00 0.00 H new ATOM 423 N HIS A 28 2.750 -3.418 12.606 1.00 0.00 N ATOM 424 CA HIS A 28 3.287 -4.263 13.666 1.00 0.00 C ATOM 425 C HIS A 28 2.109 -4.860 14.433 1.00 0.00 C ATOM 426 O HIS A 28 1.089 -4.184 14.617 1.00 0.00 O ATOM 427 CB HIS A 28 4.129 -3.419 14.631 1.00 0.00 C ATOM 428 CG HIS A 28 5.341 -2.771 14.013 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.499 -3.410 13.641 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.530 -1.432 13.797 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.377 -2.481 13.236 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.829 -1.251 13.298 1.00 0.00 N ATOM 0 H HIS A 28 2.125 -2.692 12.958 1.00 0.00 H new ATOM 0 HA HIS A 28 3.913 -5.046 13.238 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.496 -2.641 15.057 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.454 -4.053 15.456 1.00 0.00 H new ATOM 0 HD1 HIS A 28 6.662 -4.416 13.668 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.806 -0.652 13.979 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.384 -2.689 12.906 1.00 0.00 H new ATOM 440 N SER A 29 2.251 -6.100 14.903 1.00 0.00 N ATOM 441 CA SER A 29 1.237 -6.778 15.693 1.00 0.00 C ATOM 442 C SER A 29 0.983 -6.028 17.003 1.00 0.00 C ATOM 443 O SER A 29 1.814 -6.050 17.914 1.00 0.00 O ATOM 444 CB SER A 29 1.663 -8.219 15.995 1.00 0.00 C ATOM 445 OG SER A 29 1.879 -8.955 14.807 1.00 0.00 O ATOM 0 H SER A 29 3.085 -6.664 14.741 1.00 0.00 H new ATOM 0 HA SER A 29 0.314 -6.797 15.113 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.575 -8.212 16.591 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.895 -8.709 16.593 1.00 0.00 H new ATOM 0 HG SER A 29 2.789 -9.320 14.809 1.00 0.00 H new ATOM 451 N ALA A 30 -0.176 -5.374 17.093 1.00 0.00 N ATOM 452 CA ALA A 30 -0.710 -4.794 18.316 1.00 0.00 C ATOM 453 C ALA A 30 -2.259 -4.802 18.346 1.00 0.00 C ATOM 454 O ALA A 30 -2.819 -3.923 18.998 1.00 0.00 O ATOM 455 CB ALA A 30 -0.125 -3.381 18.503 1.00 0.00 C ATOM 0 H ALA A 30 -0.785 -5.231 16.287 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.405 -5.413 19.160 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.522 -2.941 19.418 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.961 -3.443 18.571 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.400 -2.758 17.652 1.00 0.00 H new ATOM 461 N PRO A 31 -3.010 -5.734 17.705 1.00 0.00 N ATOM 462 CA PRO A 31 -4.472 -5.631 17.545 1.00 0.00 C ATOM 463 C PRO A 31 -5.306 -5.829 18.831 1.00 0.00 C ATOM 464 O PRO A 31 -6.487 -6.162 18.782 1.00 0.00 O ATOM 465 CB PRO A 31 -4.822 -6.641 16.446 1.00 0.00 C ATOM 466 CG PRO A 31 -3.810 -7.753 16.690 1.00 0.00 C ATOM 467 CD PRO A 31 -2.559 -6.960 17.046 1.00 0.00 C ATOM 0 HA PRO A 31 -4.739 -4.609 17.278 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.848 -6.999 16.535 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.720 -6.210 15.450 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.118 -8.416 17.498 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.663 -8.374 15.806 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.910 -7.537 17.705 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.981 -6.728 16.152 1.00 0.00 H new ATOM 561 N GLU A 39 4.906 -9.893 15.455 1.00 0.00 N ATOM 562 CA GLU A 39 5.332 -9.900 14.066 1.00 0.00 C ATOM 563 C GLU A 39 5.172 -8.492 13.464 1.00 0.00 C ATOM 564 O GLU A 39 4.653 -7.568 14.106 1.00 0.00 O ATOM 565 CB GLU A 39 4.521 -10.948 13.274 1.00 0.00 C ATOM 566 CG GLU A 39 4.656 -12.387 13.803 1.00 0.00 C ATOM 567 CD GLU A 39 6.110 -12.895 13.804 1.00 0.00 C ATOM 568 OE1 GLU A 39 6.700 -13.078 12.714 1.00 0.00 O ATOM 569 OE2 GLU A 39 6.673 -13.147 14.894 1.00 0.00 O ATOM 0 HA GLU A 39 6.385 -10.175 14.007 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.469 -10.664 13.291 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.840 -10.925 12.232 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.260 -12.434 14.818 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.045 -13.052 13.192 1.00 0.00 H new ATOM 576 N SER A 40 5.588 -8.347 12.205 1.00 0.00 N ATOM 577 CA SER A 40 5.407 -7.146 11.403 1.00 0.00 C ATOM 578 C SER A 40 5.070 -7.567 9.967 1.00 0.00 C ATOM 579 O SER A 40 5.332 -8.704 9.560 1.00 0.00 O ATOM 580 CB SER A 40 6.663 -6.264 11.448 1.00 0.00 C ATOM 581 OG SER A 40 7.146 -6.067 12.771 1.00 0.00 O ATOM 0 H SER A 40 6.076 -9.089 11.703 1.00 0.00 H new ATOM 0 HA SER A 40 4.588 -6.551 11.806 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.446 -6.722 10.844 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.439 -5.296 10.999 1.00 0.00 H new ATOM 0 HG SER A 40 7.955 -5.514 12.745 1.00 0.00 H new ATOM 587 N LYS A 41 4.451 -6.660 9.214 1.00 0.00 N ATOM 588 CA LYS A 41 3.868 -6.869 7.887 1.00 0.00 C ATOM 589 C LYS A 41 3.908 -5.512 7.182 1.00 0.00 C ATOM 590 O LYS A 41 4.179 -4.494 7.820 1.00 0.00 O ATOM 591 CB LYS A 41 2.432 -7.400 8.100 1.00 0.00 C ATOM 592 CG LYS A 41 1.574 -7.760 6.867 1.00 0.00 C ATOM 593 CD LYS A 41 0.252 -6.971 6.878 1.00 0.00 C ATOM 594 CE LYS A 41 -0.639 -7.156 5.638 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.065 -8.551 5.385 1.00 0.00 N ATOM 0 H LYS A 41 4.335 -5.698 9.533 1.00 0.00 H new ATOM 0 HA LYS A 41 4.401 -7.594 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.500 -8.291 8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.886 -6.650 8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.128 -7.539 5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.365 -8.830 6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.318 -7.263 7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.482 -5.911 6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.527 -6.534 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.101 -6.790 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.067 -8.563 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.488 -8.957 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.940 -9.114 6.250 1.00 0.00 H new ATOM 609 N GLU A 42 3.609 -5.455 5.890 1.00 0.00 N ATOM 610 CA GLU A 42 3.408 -4.201 5.179 1.00 0.00 C ATOM 611 C GLU A 42 2.145 -4.344 4.333 1.00 0.00 C ATOM 612 O GLU A 42 1.764 -5.466 3.982 1.00 0.00 O ATOM 613 CB GLU A 42 4.615 -3.823 4.299 1.00 0.00 C ATOM 614 CG GLU A 42 5.994 -3.764 4.981 1.00 0.00 C ATOM 615 CD GLU A 42 6.618 -5.143 5.286 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.546 -6.064 4.441 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.237 -5.301 6.362 1.00 0.00 O ATOM 0 H GLU A 42 3.499 -6.283 5.304 1.00 0.00 H new ATOM 0 HA GLU A 42 3.301 -3.393 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.674 -4.540 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.416 -2.848 3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.677 -3.204 4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.900 -3.208 5.914 1.00 0.00 H new ATOM 624 N ILE A 43 1.523 -3.221 3.982 1.00 0.00 N ATOM 625 CA ILE A 43 0.324 -3.144 3.160 1.00 0.00 C ATOM 626 C ILE A 43 0.517 -2.087 2.074 1.00 0.00 C ATOM 627 O ILE A 43 1.285 -1.134 2.242 1.00 0.00 O ATOM 628 CB ILE A 43 -0.941 -2.857 4.014 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.837 -1.592 4.895 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.286 -4.090 4.855 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.126 -1.229 5.652 1.00 0.00 C ATOM 0 H ILE A 43 1.857 -2.303 4.276 1.00 0.00 H new ATOM 0 HA ILE A 43 0.165 -4.112 2.686 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.749 -2.647 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.035 -1.735 5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.552 -0.749 4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.174 -3.886 5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.479 -4.937 4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.451 -4.326 5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.959 -0.329 6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.929 -1.050 4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.404 -2.051 6.312 1.00 0.00 H new ATOM 643 N VAL A 44 -0.230 -2.252 0.984 1.00 0.00 N ATOM 644 CA VAL A 44 -0.259 -1.352 -0.160 1.00 0.00 C ATOM 645 C VAL A 44 -1.687 -0.811 -0.214 1.00 0.00 C ATOM 646 O VAL A 44 -2.635 -1.602 -0.304 1.00 0.00 O ATOM 647 CB VAL A 44 0.101 -2.144 -1.439 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.140 -1.260 -2.690 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.444 -2.884 -1.342 1.00 0.00 C ATOM 0 H VAL A 44 -0.856 -3.050 0.872 1.00 0.00 H new ATOM 0 HA VAL A 44 0.458 -0.535 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.702 -2.876 -1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.398 -1.868 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.838 -0.804 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.888 -0.478 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.633 -3.418 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.244 -2.165 -1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.409 -3.595 -0.517 1.00 0.00 H new ATOM 659 N ARG A 45 -1.857 0.511 -0.134 1.00 0.00 N ATOM 660 CA ARG A 45 -3.150 1.199 -0.227 1.00 0.00 C ATOM 661 C ARG A 45 -3.002 2.269 -1.293 1.00 0.00 C ATOM 662 O ARG A 45 -1.973 2.940 -1.298 1.00 0.00 O ATOM 663 CB ARG A 45 -3.480 1.926 1.094 1.00 0.00 C ATOM 664 CG ARG A 45 -3.627 1.087 2.368 1.00 0.00 C ATOM 665 CD ARG A 45 -4.842 0.145 2.377 1.00 0.00 C ATOM 666 NE ARG A 45 -4.506 -1.135 1.742 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.443 -2.335 2.323 1.00 0.00 C ATOM 668 NH1 ARG A 45 -4.966 -2.582 3.520 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.803 -3.299 1.684 1.00 0.00 N ATOM 0 H ARG A 45 -1.076 1.153 0.001 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.933 0.474 -0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.699 2.665 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.410 2.475 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.723 0.494 2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.698 1.759 3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.169 -0.026 3.403 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.675 0.611 1.850 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.297 -1.104 0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.439 -1.838 4.033 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.894 -3.515 3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.377 -3.113 0.776 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.735 -4.228 2.099 1.00 0.00 H new ATOM 683 N GLY A 46 -4.009 2.506 -2.128 1.00 0.00 N ATOM 684 CA GLY A 46 -4.004 3.649 -3.028 1.00 0.00 C ATOM 685 C GLY A 46 -5.344 3.794 -3.711 1.00 0.00 C ATOM 686 O GLY A 46 -5.921 2.794 -4.145 1.00 0.00 O ATOM 0 H GLY A 46 -4.840 1.919 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.774 4.557 -2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.220 3.527 -3.775 1.00 0.00 H new ATOM 690 N TYR A 47 -5.842 5.029 -3.797 1.00 0.00 N ATOM 691 CA TYR A 47 -7.175 5.299 -4.310 1.00 0.00 C ATOM 692 C TYR A 47 -7.226 6.707 -4.883 1.00 0.00 C ATOM 693 O TYR A 47 -6.595 7.624 -4.356 1.00 0.00 O ATOM 694 CB TYR A 47 -8.231 5.188 -3.196 1.00 0.00 C ATOM 695 CG TYR A 47 -8.132 3.960 -2.310 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.324 4.018 -1.162 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.824 2.775 -2.620 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.210 2.907 -0.312 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.708 1.651 -1.782 1.00 0.00 C ATOM 700 CZ TYR A 47 -7.902 1.716 -0.620 1.00 0.00 C ATOM 701 OH TYR A 47 -7.798 0.657 0.225 1.00 0.00 O ATOM 0 H TYR A 47 -5.330 5.864 -3.512 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.393 4.562 -5.083 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.160 6.074 -2.565 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.219 5.202 -3.656 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.786 4.926 -0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.445 2.728 -3.502 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.595 2.963 0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.233 0.739 -2.025 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.102 -0.156 -0.230 1.00 0.00 H new ATOM 711 N LYS A 48 -8.057 6.891 -5.907 1.00 0.00 N ATOM 712 CA LYS A 48 -8.360 8.176 -6.528 1.00 0.00 C ATOM 713 C LYS A 48 -8.861 9.226 -5.531 1.00 0.00 C ATOM 714 O LYS A 48 -8.593 10.409 -5.738 1.00 0.00 O ATOM 715 CB LYS A 48 -9.348 7.940 -7.688 1.00 0.00 C ATOM 716 CG LYS A 48 -10.709 7.355 -7.255 1.00 0.00 C ATOM 717 CD LYS A 48 -11.438 6.705 -8.441 1.00 0.00 C ATOM 718 CE LYS A 48 -12.814 6.131 -8.064 1.00 0.00 C ATOM 719 NZ LYS A 48 -12.743 5.023 -7.076 1.00 0.00 N ATOM 0 H LYS A 48 -8.557 6.117 -6.343 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.436 8.600 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.519 8.886 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.888 7.264 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.556 6.615 -6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.329 8.145 -6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.564 7.445 -9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.817 5.907 -8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.434 6.930 -7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.309 5.772 -8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.703 4.683 -6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.177 4.243 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.299 5.366 -6.201 1.00 0.00 H new ATOM 733 N TRP A 49 -9.558 8.830 -4.456 1.00 0.00 N ATOM 734 CA TRP A 49 -10.016 9.784 -3.448 1.00 0.00 C ATOM 735 C TRP A 49 -8.851 10.375 -2.643 1.00 0.00 C ATOM 736 O TRP A 49 -8.947 11.525 -2.209 1.00 0.00 O ATOM 737 CB TRP A 49 -11.119 9.188 -2.555 1.00 0.00 C ATOM 738 CG TRP A 49 -10.951 7.803 -1.988 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.650 6.714 -2.384 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.123 7.342 -0.873 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.322 5.629 -1.598 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.390 5.959 -0.638 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.178 7.951 -0.024 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.751 5.228 0.378 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.488 7.217 0.957 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.764 5.853 1.156 1.00 0.00 C ATOM 0 H TRP A 49 -9.813 7.861 -4.267 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.471 10.621 -3.978 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.262 9.869 -1.716 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.044 9.194 -3.132 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.361 6.697 -3.197 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.720 4.697 -1.713 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.979 9.007 -0.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.016 4.197 0.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.739 7.705 1.563 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.221 5.291 1.901 1.00 0.00 H new ATOM 757 N ALA A 50 -7.739 9.649 -2.471 1.00 0.00 N ATOM 758 CA ALA A 50 -6.543 10.169 -1.828 1.00 0.00 C ATOM 759 C ALA A 50 -5.711 10.934 -2.856 1.00 0.00 C ATOM 760 O ALA A 50 -4.669 10.472 -3.318 1.00 0.00 O ATOM 761 CB ALA A 50 -5.758 9.054 -1.145 1.00 0.00 C ATOM 0 H ALA A 50 -7.651 8.680 -2.778 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.823 10.865 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.869 9.472 -0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.383 8.580 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.461 8.312 -1.886 1.00 0.00 H new ATOM 767 N GLU A 51 -6.185 12.124 -3.223 1.00 0.00 N ATOM 768 CA GLU A 51 -5.477 13.044 -4.111 1.00 0.00 C ATOM 769 C GLU A 51 -4.174 13.571 -3.459 1.00 0.00 C ATOM 770 O GLU A 51 -3.369 14.231 -4.116 1.00 0.00 O ATOM 771 CB GLU A 51 -6.451 14.181 -4.479 1.00 0.00 C ATOM 772 CG GLU A 51 -6.028 15.075 -5.656 1.00 0.00 C ATOM 773 CD GLU A 51 -5.954 14.308 -6.990 1.00 0.00 C ATOM 774 OE1 GLU A 51 -6.972 14.250 -7.717 1.00 0.00 O ATOM 775 OE2 GLU A 51 -4.874 13.782 -7.341 1.00 0.00 O ATOM 0 H GLU A 51 -7.086 12.481 -2.906 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.161 12.529 -5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.420 13.741 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.591 14.812 -3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.736 15.898 -5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.054 15.515 -5.441 1.00 0.00 H new ATOM 782 N TYR A 52 -3.928 13.263 -2.181 1.00 0.00 N ATOM 783 CA TYR A 52 -2.704 13.544 -1.438 1.00 0.00 C ATOM 784 C TYR A 52 -2.382 12.288 -0.624 1.00 0.00 C ATOM 785 O TYR A 52 -3.298 11.590 -0.175 1.00 0.00 O ATOM 786 CB TYR A 52 -2.832 14.810 -0.570 1.00 0.00 C ATOM 787 CG TYR A 52 -4.217 15.164 -0.059 1.00 0.00 C ATOM 788 CD1 TYR A 52 -5.132 15.780 -0.932 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.578 14.923 1.279 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.417 16.134 -0.484 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.858 15.281 1.740 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.786 15.884 0.859 1.00 0.00 C ATOM 793 OH TYR A 52 -8.025 16.224 1.317 1.00 0.00 O ATOM 0 H TYR A 52 -4.622 12.783 -1.608 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.880 13.765 -2.116 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.173 14.697 0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.459 15.655 -1.148 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.846 15.982 -1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.871 14.462 1.953 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.120 16.595 -1.162 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.132 15.095 2.768 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.103 15.978 2.262 1.00 0.00 H new ATOM 803 N HIS A 53 -1.099 11.960 -0.464 1.00 0.00 N ATOM 804 CA HIS A 53 -0.674 10.692 0.126 1.00 0.00 C ATOM 805 C HIS A 53 -0.994 10.685 1.616 1.00 0.00 C ATOM 806 O HIS A 53 -1.328 9.637 2.175 1.00 0.00 O ATOM 807 CB HIS A 53 0.831 10.471 -0.070 1.00 0.00 C ATOM 808 CG HIS A 53 1.302 10.553 -1.499 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.613 9.470 -2.322 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.639 11.706 -2.144 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.129 10.009 -3.440 1.00 0.00 C ATOM 812 NE2 HIS A 53 2.151 11.347 -3.364 1.00 0.00 N ATOM 0 H HIS A 53 -0.327 12.566 -0.740 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.212 9.887 -0.374 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.372 11.211 0.519 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.095 9.492 0.329 1.00 0.00 H new ATOM 0 HD1 HIS A 53 1.478 8.480 -2.118 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.524 12.711 -1.766 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.480 9.439 -4.288 1.00 0.00 H new ATOM 820 N ALA A 54 -0.955 11.861 2.252 1.00 0.00 N ATOM 821 CA ALA A 54 -1.390 12.022 3.631 1.00 0.00 C ATOM 822 C ALA A 54 -2.809 11.493 3.868 1.00 0.00 C ATOM 823 O ALA A 54 -3.093 11.051 4.980 1.00 0.00 O ATOM 824 CB ALA A 54 -1.299 13.496 4.042 1.00 0.00 C ATOM 0 H ALA A 54 -0.621 12.723 1.820 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.721 11.425 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.627 13.606 5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.268 13.836 3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.938 14.095 3.393 1.00 0.00 H new ATOM 830 N ASP A 55 -3.698 11.522 2.865 1.00 0.00 N ATOM 831 CA ASP A 55 -5.094 11.140 3.070 1.00 0.00 C ATOM 832 C ASP A 55 -5.220 9.643 3.340 1.00 0.00 C ATOM 833 O ASP A 55 -5.848 9.242 4.320 1.00 0.00 O ATOM 834 CB ASP A 55 -5.961 11.504 1.861 1.00 0.00 C ATOM 835 CG ASP A 55 -7.446 11.459 2.253 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.892 12.323 3.042 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.174 10.575 1.760 1.00 0.00 O ATOM 0 H ASP A 55 -3.473 11.805 1.911 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.447 11.696 3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.700 12.499 1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.770 10.810 1.043 1.00 0.00 H new ATOM 842 N ILE A 56 -4.575 8.814 2.506 1.00 0.00 N ATOM 843 CA ILE A 56 -4.546 7.369 2.699 1.00 0.00 C ATOM 844 C ILE A 56 -3.793 7.030 3.972 1.00 0.00 C ATOM 845 O ILE A 56 -4.248 6.149 4.700 1.00 0.00 O ATOM 846 CB ILE A 56 -3.945 6.571 1.510 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.928 7.335 0.623 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.088 5.887 0.752 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.681 6.721 -0.760 1.00 0.00 C ATOM 0 H ILE A 56 -4.062 9.132 1.683 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.590 7.062 2.770 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.291 5.803 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.281 8.358 0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.977 7.391 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.681 5.322 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.616 5.210 1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.780 6.642 0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.956 7.327 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.294 5.709 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.617 6.690 -1.317 1.00 0.00 H new ATOM 861 N TYR A 57 -2.668 7.701 4.248 1.00 0.00 N ATOM 862 CA TYR A 57 -1.918 7.367 5.442 1.00 0.00 C ATOM 863 C TYR A 57 -2.778 7.622 6.677 1.00 0.00 C ATOM 864 O TYR A 57 -2.942 6.704 7.468 1.00 0.00 O ATOM 865 CB TYR A 57 -0.578 8.105 5.521 1.00 0.00 C ATOM 866 CG TYR A 57 0.193 7.748 6.783 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.457 6.396 7.087 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.593 8.753 7.685 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.114 6.048 8.278 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.265 8.415 8.873 1.00 0.00 C ATOM 871 CZ TYR A 57 1.532 7.058 9.173 1.00 0.00 C ATOM 872 OH TYR A 57 2.190 6.708 10.313 1.00 0.00 O ATOM 0 H TYR A 57 -2.276 8.450 3.678 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.669 6.307 5.398 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.024 7.859 4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.754 9.180 5.495 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.151 5.622 6.398 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.382 9.789 7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.300 5.010 8.510 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.577 9.191 9.556 1.00 0.00 H new ATOM 0 HH TYR A 57 2.412 7.515 10.823 1.00 0.00 H new ATOM 882 N ASP A 58 -3.389 8.804 6.812 1.00 0.00 N ATOM 883 CA ASP A 58 -4.204 9.139 7.980 1.00 0.00 C ATOM 884 C ASP A 58 -5.401 8.196 8.131 1.00 0.00 C ATOM 885 O ASP A 58 -5.674 7.705 9.229 1.00 0.00 O ATOM 886 CB ASP A 58 -4.697 10.586 7.883 1.00 0.00 C ATOM 887 CG ASP A 58 -5.614 10.929 9.069 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.101 11.157 10.188 1.00 0.00 O ATOM 889 OD2 ASP A 58 -6.849 11.002 8.884 1.00 0.00 O ATOM 0 H ASP A 58 -3.332 9.550 6.118 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.573 9.024 8.861 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.845 11.265 7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.236 10.730 6.947 1.00 0.00 H new ATOM 894 N LYS A 59 -6.099 7.909 7.026 1.00 0.00 N ATOM 895 CA LYS A 59 -7.243 7.001 7.013 1.00 0.00 C ATOM 896 C LYS A 59 -6.837 5.609 7.479 1.00 0.00 C ATOM 897 O LYS A 59 -7.483 5.044 8.363 1.00 0.00 O ATOM 898 CB LYS A 59 -7.835 6.995 5.593 1.00 0.00 C ATOM 899 CG LYS A 59 -8.915 5.924 5.353 1.00 0.00 C ATOM 900 CD LYS A 59 -10.003 6.477 4.427 1.00 0.00 C ATOM 901 CE LYS A 59 -10.969 5.372 3.981 1.00 0.00 C ATOM 902 NZ LYS A 59 -11.972 5.870 3.007 1.00 0.00 N ATOM 0 H LYS A 59 -5.881 8.305 6.112 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.007 7.341 7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.263 7.976 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.027 6.844 4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.466 5.035 4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.354 5.619 6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.557 7.262 4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.541 6.934 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.403 4.555 3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.481 4.965 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.829 5.283 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.214 6.856 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.577 5.820 2.046 1.00 0.00 H new ATOM 916 N VAL A 60 -5.773 5.050 6.909 1.00 0.00 N ATOM 917 CA VAL A 60 -5.457 3.651 7.129 1.00 0.00 C ATOM 918 C VAL A 60 -4.632 3.459 8.401 1.00 0.00 C ATOM 919 O VAL A 60 -4.873 2.473 9.091 1.00 0.00 O ATOM 920 CB VAL A 60 -4.863 3.032 5.852 1.00 0.00 C ATOM 921 CG1 VAL A 60 -4.563 1.542 6.084 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.891 3.179 4.706 1.00 0.00 C ATOM 0 H VAL A 60 -5.123 5.543 6.297 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.370 3.088 7.322 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.936 3.543 5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.143 1.110 5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.848 1.438 6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.485 1.021 6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.483 2.744 3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.812 2.661 4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.103 4.235 4.541 1.00 0.00 H new ATOM 932 N SER A 61 -3.746 4.378 8.800 1.00 0.00 N ATOM 933 CA SER A 61 -3.127 4.288 10.120 1.00 0.00 C ATOM 934 C SER A 61 -4.215 4.380 11.193 1.00 0.00 C ATOM 935 O SER A 61 -4.156 3.644 12.178 1.00 0.00 O ATOM 936 CB SER A 61 -2.024 5.339 10.306 1.00 0.00 C ATOM 937 OG SER A 61 -2.531 6.660 10.365 1.00 0.00 O ATOM 0 H SER A 61 -3.448 5.176 8.239 1.00 0.00 H new ATOM 0 HA SER A 61 -2.629 3.323 10.218 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.474 5.124 11.222 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.314 5.263 9.483 1.00 0.00 H new ATOM 0 HG SER A 61 -2.754 6.966 9.461 1.00 0.00 H new ATOM 943 N GLY A 62 -5.245 5.205 10.963 1.00 0.00 N ATOM 944 CA GLY A 62 -6.441 5.264 11.781 1.00 0.00 C ATOM 945 C GLY A 62 -7.115 3.899 11.869 1.00 0.00 C ATOM 946 O GLY A 62 -7.350 3.420 12.974 1.00 0.00 O ATOM 0 H GLY A 62 -5.260 5.861 10.182 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.184 5.611 12.782 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.137 5.990 11.361 1.00 0.00 H new ATOM 950 N ASP A 63 -7.399 3.239 10.741 1.00 0.00 N ATOM 951 CA ASP A 63 -8.034 1.918 10.751 1.00 0.00 C ATOM 952 C ASP A 63 -7.181 0.883 11.480 1.00 0.00 C ATOM 953 O ASP A 63 -7.692 0.151 12.326 1.00 0.00 O ATOM 954 CB ASP A 63 -8.344 1.416 9.340 1.00 0.00 C ATOM 955 CG ASP A 63 -9.106 0.080 9.423 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.355 0.110 9.498 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.467 -0.995 9.405 1.00 0.00 O ATOM 0 H ASP A 63 -7.198 3.599 9.808 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.974 2.043 11.289 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.941 2.154 8.803 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.419 1.285 8.778 1.00 0.00 H new ATOM 962 N MET A 64 -5.875 0.858 11.207 1.00 0.00 N ATOM 963 CA MET A 64 -4.948 -0.061 11.851 1.00 0.00 C ATOM 964 C MET A 64 -4.966 0.160 13.357 1.00 0.00 C ATOM 965 O MET A 64 -5.117 -0.804 14.099 1.00 0.00 O ATOM 966 CB MET A 64 -3.532 0.117 11.292 1.00 0.00 C ATOM 967 CG MET A 64 -3.419 -0.287 9.814 1.00 0.00 C ATOM 968 SD MET A 64 -3.491 -2.067 9.516 1.00 0.00 S ATOM 969 CE MET A 64 -5.192 -2.156 8.912 1.00 0.00 C ATOM 0 H MET A 64 -5.433 1.479 10.529 1.00 0.00 H new ATOM 0 HA MET A 64 -5.263 -1.083 11.642 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.231 1.159 11.403 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.836 -0.480 11.881 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.222 0.195 9.256 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.480 0.097 9.416 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.534 -3.191 8.938 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.835 -1.546 9.546 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.234 -1.785 7.888 1.00 0.00 H new ATOM 979 N GLN A 65 -4.890 1.406 13.821 1.00 0.00 N ATOM 980 CA GLN A 65 -4.931 1.740 15.234 1.00 0.00 C ATOM 981 C GLN A 65 -6.309 1.462 15.849 1.00 0.00 C ATOM 982 O GLN A 65 -6.376 1.114 17.027 1.00 0.00 O ATOM 983 CB GLN A 65 -4.535 3.216 15.401 1.00 0.00 C ATOM 984 CG GLN A 65 -3.022 3.470 15.259 1.00 0.00 C ATOM 985 CD GLN A 65 -2.297 3.304 16.597 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.149 4.253 17.363 1.00 0.00 O ATOM 987 NE2 GLN A 65 -1.851 2.104 16.926 1.00 0.00 N ATOM 0 H GLN A 65 -4.797 2.220 13.213 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.224 1.106 15.769 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.066 3.812 14.659 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.862 3.562 16.381 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.603 2.778 14.529 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.855 4.477 14.876 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.977 1.320 16.286 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.381 1.962 17.820 1.00 0.00 H new ATOM 996 N LYS A 66 -7.405 1.562 15.085 1.00 0.00 N ATOM 997 CA LYS A 66 -8.730 1.146 15.547 1.00 0.00 C ATOM 998 C LYS A 66 -8.770 -0.367 15.746 1.00 0.00 C ATOM 999 O LYS A 66 -9.364 -0.809 16.730 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.841 1.649 14.606 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.125 3.145 14.843 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.227 3.726 13.942 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.812 3.818 12.465 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.866 4.449 11.629 1.00 0.00 N ATOM 0 H LYS A 66 -7.396 1.932 14.135 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.922 1.609 16.515 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.545 1.491 13.569 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.751 1.071 14.769 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.410 3.289 15.885 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.206 3.708 14.683 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.120 3.106 14.024 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.495 4.720 14.301 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.890 4.394 12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.598 2.819 12.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.546 4.492 10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.738 3.886 11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.053 5.412 11.974 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.120 -1.169 14.888 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.944 -2.593 15.176 1.00 0.00 C ATOM 1020 C GLN A 67 -7.057 -2.732 16.425 1.00 0.00 C ATOM 1021 O GLN A 67 -7.405 -3.439 17.368 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.370 -3.344 13.959 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.310 -3.296 12.739 1.00 0.00 C ATOM 1024 CD GLN A 67 -7.781 -4.105 11.551 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.348 -5.245 11.692 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -7.811 -3.562 10.344 1.00 0.00 N ATOM 0 H GLN A 67 -7.715 -0.859 14.005 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.911 -3.054 15.380 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.407 -2.910 13.689 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.186 -4.383 14.231 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.290 -3.678 13.026 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.449 -2.259 12.434 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.169 -2.615 10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.476 -4.090 9.539 1.00 0.00 H new ATOM 1035 N GLY A 68 -5.960 -1.978 16.462 1.00 0.00 N ATOM 1036 CA GLY A 68 -5.009 -1.831 17.562 1.00 0.00 C ATOM 1037 C GLY A 68 -3.568 -1.722 17.040 1.00 0.00 C ATOM 1038 O GLY A 68 -2.695 -1.198 17.731 1.00 0.00 O ATOM 0 H GLY A 68 -5.692 -1.409 15.659 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.256 -0.943 18.144 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.091 -2.685 18.234 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.334 -2.204 15.814 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.047 -2.286 15.138 1.00 0.00 C ATOM 1044 C CYS A 69 -1.353 -0.929 15.085 1.00 0.00 C ATOM 1045 O CYS A 69 -2.005 0.109 14.966 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.275 -2.816 13.720 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.731 -4.572 13.800 1.00 0.00 S ATOM 0 H CYS A 69 -4.091 -2.569 15.236 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.398 -2.960 15.696 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.064 -2.246 13.229 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.372 -2.690 13.123 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.518 -5.129 12.645 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.023 -0.947 15.118 1.00 0.00 N ATOM 1054 CA ASP A 70 0.820 0.246 15.075 1.00 0.00 C ATOM 1055 C ASP A 70 1.499 0.287 13.710 1.00 0.00 C ATOM 1056 O ASP A 70 1.890 -0.768 13.202 1.00 0.00 O ATOM 1057 CB ASP A 70 1.838 0.190 16.214 1.00 0.00 C ATOM 1058 CG ASP A 70 2.817 1.371 16.134 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.363 2.536 16.190 1.00 0.00 O ATOM 1060 OD2 ASP A 70 4.041 1.141 16.031 1.00 0.00 O ATOM 0 H ASP A 70 0.512 -1.813 15.177 1.00 0.00 H new ATOM 0 HA ASP A 70 0.232 1.154 15.208 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.319 0.207 17.172 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.390 -0.749 16.168 1.00 0.00 H new ATOM 1065 N CYS A 71 1.640 1.480 13.120 1.00 0.00 N ATOM 1066 CA CYS A 71 2.043 1.639 11.727 1.00 0.00 C ATOM 1067 C CYS A 71 2.987 2.814 11.476 1.00 0.00 C ATOM 1068 O CYS A 71 3.096 3.727 12.297 1.00 0.00 O ATOM 1069 CB CYS A 71 0.774 1.873 10.897 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.202 0.357 10.827 1.00 0.00 S ATOM 0 H CYS A 71 1.476 2.364 13.602 1.00 0.00 H new ATOM 0 HA CYS A 71 2.584 0.734 11.449 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.183 2.676 11.338 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.042 2.191 9.889 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.712 0.115 11.998 1.00 0.00 H new ATOM 1076 N GLU A 72 3.608 2.810 10.292 1.00 0.00 N ATOM 1077 CA GLU A 72 4.412 3.891 9.749 1.00 0.00 C ATOM 1078 C GLU A 72 4.378 3.766 8.221 1.00 0.00 C ATOM 1079 O GLU A 72 4.611 2.674 7.697 1.00 0.00 O ATOM 1080 CB GLU A 72 5.841 3.732 10.290 1.00 0.00 C ATOM 1081 CG GLU A 72 6.808 4.744 9.672 1.00 0.00 C ATOM 1082 CD GLU A 72 8.136 4.823 10.444 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.809 3.778 10.606 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.519 5.928 10.891 1.00 0.00 O ATOM 0 H GLU A 72 3.556 2.010 9.661 1.00 0.00 H new ATOM 0 HA GLU A 72 4.037 4.874 10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.833 3.854 11.373 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.195 2.722 10.085 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.007 4.468 8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.340 5.728 9.655 1.00 0.00 H new ATOM 1091 N CYS A 73 4.081 4.843 7.487 1.00 0.00 N ATOM 1092 CA CYS A 73 4.248 4.855 6.036 1.00 0.00 C ATOM 1093 C CYS A 73 5.755 4.841 5.741 1.00 0.00 C ATOM 1094 O CYS A 73 6.493 5.711 6.212 1.00 0.00 O ATOM 1095 CB CYS A 73 3.522 6.050 5.384 1.00 0.00 C ATOM 1096 SG CYS A 73 3.808 7.580 6.319 1.00 0.00 S ATOM 0 H CYS A 73 3.724 5.716 7.876 1.00 0.00 H new ATOM 0 HA CYS A 73 3.786 3.972 5.594 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.871 6.176 4.359 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.452 5.846 5.334 1.00 0.00 H new ATOM 0 HG CYS A 73 4.186 8.521 5.506 1.00 0.00 H new ATOM 1102 N LEU A 74 6.225 3.859 4.967 1.00 0.00 N ATOM 1103 CA LEU A 74 7.604 3.833 4.487 1.00 0.00 C ATOM 1104 C LEU A 74 7.822 4.950 3.460 1.00 0.00 C ATOM 1105 O LEU A 74 8.937 5.456 3.330 1.00 0.00 O ATOM 1106 CB LEU A 74 7.949 2.469 3.864 1.00 0.00 C ATOM 1107 CG LEU A 74 7.858 1.250 4.805 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.471 0.025 4.114 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.571 1.463 6.146 1.00 0.00 C ATOM 0 H LEU A 74 5.663 3.066 4.659 1.00 0.00 H new ATOM 0 HA LEU A 74 8.264 3.993 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.283 2.300 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.962 2.520 3.466 1.00 0.00 H new ATOM 0 HG LEU A 74 6.800 1.100 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.407 -0.837 4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.926 -0.185 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.516 0.225 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.468 0.568 6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.628 1.662 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.124 2.311 6.665 1.00 0.00 H new ATOM 1121 N GLY A 75 6.765 5.344 2.746 1.00 0.00 N ATOM 1122 CA GLY A 75 6.752 6.461 1.819 1.00 0.00 C ATOM 1123 C GLY A 75 5.455 6.443 1.020 1.00 0.00 C ATOM 1124 O GLY A 75 4.553 5.641 1.300 1.00 0.00 O ATOM 0 H GLY A 75 5.863 4.871 2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.843 7.401 2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.607 6.399 1.146 1.00 0.00 H new ATOM 1128 N GLY A 76 5.382 7.302 0.007 1.00 0.00 N ATOM 1129 CA GLY A 76 4.284 7.352 -0.943 1.00 0.00 C ATOM 1130 C GLY A 76 4.808 7.222 -2.366 1.00 0.00 C ATOM 1131 O GLY A 76 6.019 7.204 -2.605 1.00 0.00 O ATOM 0 H GLY A 76 6.105 7.998 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.577 6.549 -0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.742 8.291 -0.833 1.00 0.00 H new ATOM 1135 N GLY A 77 3.883 7.122 -3.310 1.00 0.00 N ATOM 1136 CA GLY A 77 4.147 6.915 -4.720 1.00 0.00 C ATOM 1137 C GLY A 77 2.817 6.904 -5.457 1.00 0.00 C ATOM 1138 O GLY A 77 1.792 7.330 -4.924 1.00 0.00 O ATOM 0 H GLY A 77 2.887 7.186 -3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.789 7.707 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.674 5.973 -4.874 1.00 0.00 H new ATOM 1142 N ARG A 78 2.791 6.433 -6.695 1.00 0.00 N ATOM 1143 CA ARG A 78 1.568 6.372 -7.483 1.00 0.00 C ATOM 1144 C ARG A 78 1.633 5.175 -8.414 1.00 0.00 C ATOM 1145 O ARG A 78 2.705 4.609 -8.637 1.00 0.00 O ATOM 1146 CB ARG A 78 1.329 7.724 -8.184 1.00 0.00 C ATOM 1147 CG ARG A 78 2.420 8.128 -9.184 1.00 0.00 C ATOM 1148 CD ARG A 78 2.460 9.646 -9.411 1.00 0.00 C ATOM 1149 NE ARG A 78 3.002 10.375 -8.240 1.00 0.00 N ATOM 1150 CZ ARG A 78 3.330 11.677 -8.218 1.00 0.00 C ATOM 1151 NH1 ARG A 78 3.132 12.435 -9.294 1.00 0.00 N ATOM 1152 NH2 ARG A 78 3.862 12.225 -7.126 1.00 0.00 N ATOM 0 H ARG A 78 3.616 6.083 -7.182 1.00 0.00 H new ATOM 0 HA ARG A 78 0.694 6.216 -6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.373 7.683 -8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.245 8.502 -7.425 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.390 7.791 -8.818 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.245 7.624 -10.134 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.071 9.864 -10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.454 10.006 -9.626 1.00 0.00 H new ATOM 0 HE ARG A 78 3.137 9.844 -7.380 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.730 12.027 -10.138 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.382 13.424 -9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.024 11.654 -6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.108 13.215 -7.120 1.00 0.00 H new ATOM 1166 N ILE A 79 0.475 4.770 -8.911 1.00 0.00 N ATOM 1167 CA ILE A 79 0.263 3.556 -9.683 1.00 0.00 C ATOM 1168 C ILE A 79 -0.358 4.014 -11.000 1.00 0.00 C ATOM 1169 O ILE A 79 -1.063 5.026 -11.027 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.633 2.569 -8.883 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.074 2.150 -7.569 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -1.014 1.318 -9.705 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.744 1.237 -6.645 1.00 0.00 C ATOM 0 H ILE A 79 -0.384 5.305 -8.781 1.00 0.00 H new ATOM 0 HA ILE A 79 1.183 3.007 -9.884 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.559 3.094 -8.649 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.005 1.642 -7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.342 3.051 -7.017 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.640 0.662 -9.100 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.562 1.622 -10.597 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.109 0.786 -9.999 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.160 1.003 -5.755 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.663 1.745 -6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.991 0.314 -7.170 1.00 0.00 H new ATOM 1333 N HIS A 89 2.025 -0.588 -13.276 1.00 0.00 N ATOM 1334 CA HIS A 89 3.286 0.077 -12.972 1.00 0.00 C ATOM 1335 C HIS A 89 3.152 0.915 -11.704 1.00 0.00 C ATOM 1336 O HIS A 89 2.049 1.341 -11.356 1.00 0.00 O ATOM 1337 CB HIS A 89 3.719 0.918 -14.178 1.00 0.00 C ATOM 1338 CG HIS A 89 5.199 1.190 -14.203 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.179 0.281 -14.532 1.00 0.00 N ATOM 1340 CD2 HIS A 89 5.822 2.383 -13.950 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.360 0.914 -14.501 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.198 2.201 -14.142 1.00 0.00 N ATOM 0 HA HIS A 89 4.061 -0.665 -12.782 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.434 0.402 -15.095 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.181 1.866 -14.165 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.338 3.302 -13.655 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.310 0.455 -14.732 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.930 2.903 -14.032 1.00 0.00 H new ATOM 1350 N VAL A 90 4.273 1.164 -11.025 1.00 0.00 N ATOM 1351 CA VAL A 90 4.349 1.906 -9.770 1.00 0.00 C ATOM 1352 C VAL A 90 5.552 2.849 -9.894 1.00 0.00 C ATOM 1353 O VAL A 90 6.589 2.458 -10.428 1.00 0.00 O ATOM 1354 CB VAL A 90 4.498 0.931 -8.577 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.324 1.658 -7.235 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.500 -0.241 -8.603 1.00 0.00 C ATOM 0 H VAL A 90 5.185 0.842 -11.348 1.00 0.00 H new ATOM 0 HA VAL A 90 3.441 2.479 -9.584 1.00 0.00 H new ATOM 0 HB VAL A 90 5.506 0.529 -8.678 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.434 0.945 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.081 2.437 -7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.333 2.109 -7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.667 -0.880 -7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.482 0.147 -8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.644 -0.821 -9.514 1.00 0.00 H new ATOM 1366 N TYR A 91 5.434 4.101 -9.456 1.00 0.00 N ATOM 1367 CA TYR A 91 6.470 5.115 -9.639 1.00 0.00 C ATOM 1368 C TYR A 91 6.199 6.308 -8.717 1.00 0.00 C ATOM 1369 O TYR A 91 5.297 6.253 -7.881 1.00 0.00 O ATOM 1370 CB TYR A 91 6.514 5.545 -11.119 1.00 0.00 C ATOM 1371 CG TYR A 91 5.328 6.351 -11.620 1.00 0.00 C ATOM 1372 CD1 TYR A 91 4.080 5.744 -11.862 1.00 0.00 C ATOM 1373 CD2 TYR A 91 5.492 7.722 -11.882 1.00 0.00 C ATOM 1374 CE1 TYR A 91 3.015 6.507 -12.370 1.00 0.00 C ATOM 1375 CE2 TYR A 91 4.455 8.477 -12.444 1.00 0.00 C ATOM 1376 CZ TYR A 91 3.202 7.872 -12.690 1.00 0.00 C ATOM 1377 OH TYR A 91 2.168 8.590 -13.210 1.00 0.00 O ATOM 0 H TYR A 91 4.610 4.443 -8.960 1.00 0.00 H new ATOM 0 HA TYR A 91 7.444 4.702 -9.375 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.419 6.132 -11.278 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.603 4.649 -11.733 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.942 4.693 -11.657 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.431 8.200 -11.647 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.048 6.049 -12.517 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.612 9.517 -12.688 1.00 0.00 H new ATOM 0 HH TYR A 91 2.459 9.511 -13.373 1.00 0.00 H new ATOM 1387 N GLY A 92 6.944 7.405 -8.886 1.00 0.00 N ATOM 1388 CA GLY A 92 6.642 8.667 -8.226 1.00 0.00 C ATOM 1389 C GLY A 92 7.004 8.646 -6.746 1.00 0.00 C ATOM 1390 O GLY A 92 7.735 7.772 -6.276 1.00 0.00 O ATOM 0 H GLY A 92 7.770 7.437 -9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.186 9.472 -8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.580 8.887 -8.335 1.00 0.00 H new ATOM 1394 N TYR A 93 6.530 9.658 -6.021 1.00 0.00 N ATOM 1395 CA TYR A 93 6.882 9.907 -4.631 1.00 0.00 C ATOM 1396 C TYR A 93 5.808 10.768 -3.959 1.00 0.00 C ATOM 1397 O TYR A 93 4.894 11.270 -4.626 1.00 0.00 O ATOM 1398 CB TYR A 93 8.252 10.617 -4.590 1.00 0.00 C ATOM 1399 CG TYR A 93 8.387 11.835 -5.493 1.00 0.00 C ATOM 1400 CD1 TYR A 93 7.895 13.090 -5.084 1.00 0.00 C ATOM 1401 CD2 TYR A 93 9.011 11.710 -6.751 1.00 0.00 C ATOM 1402 CE1 TYR A 93 8.021 14.211 -5.923 1.00 0.00 C ATOM 1403 CE2 TYR A 93 9.148 12.827 -7.593 1.00 0.00 C ATOM 1404 CZ TYR A 93 8.651 14.087 -7.182 1.00 0.00 C ATOM 1405 OH TYR A 93 8.781 15.185 -7.979 1.00 0.00 O ATOM 0 H TYR A 93 5.874 10.343 -6.397 1.00 0.00 H new ATOM 0 HA TYR A 93 6.943 8.964 -4.088 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.452 10.924 -3.563 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.023 9.897 -4.863 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.418 13.192 -4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.386 10.749 -7.070 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.636 15.168 -5.605 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.632 12.724 -8.553 1.00 0.00 H new ATOM 0 HH TYR A 93 9.237 14.934 -8.810 1.00 0.00 H new ATOM 1415 N SER A 94 5.955 10.941 -2.647 1.00 0.00 N ATOM 1416 CA SER A 94 5.233 11.882 -1.799 1.00 0.00 C ATOM 1417 C SER A 94 6.232 12.991 -1.443 1.00 0.00 C ATOM 1418 O SER A 94 7.444 12.789 -1.579 1.00 0.00 O ATOM 1419 CB SER A 94 4.729 11.125 -0.558 1.00 0.00 C ATOM 1420 OG SER A 94 4.468 11.954 0.553 1.00 0.00 O ATOM 0 H SER A 94 6.627 10.389 -2.114 1.00 0.00 H new ATOM 0 HA SER A 94 4.363 12.323 -2.285 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.818 10.587 -0.819 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.471 10.378 -0.275 1.00 0.00 H new ATOM 0 HG SER A 94 3.501 11.998 0.708 1.00 0.00 H new ATOM 1426 N MET A 95 5.759 14.139 -0.950 1.00 0.00 N ATOM 1427 CA MET A 95 6.639 15.186 -0.440 1.00 0.00 C ATOM 1428 C MET A 95 6.597 15.237 1.087 1.00 0.00 C ATOM 1429 O MET A 95 7.621 15.556 1.694 1.00 0.00 O ATOM 1430 CB MET A 95 6.329 16.546 -1.081 1.00 0.00 C ATOM 1431 CG MET A 95 4.903 17.041 -0.820 1.00 0.00 C ATOM 1432 SD MET A 95 4.595 18.761 -1.330 1.00 0.00 S ATOM 1433 CE MET A 95 4.786 18.628 -3.131 1.00 0.00 C ATOM 0 H MET A 95 4.766 14.364 -0.895 1.00 0.00 H new ATOM 0 HA MET A 95 7.661 14.938 -0.725 1.00 0.00 H new ATOM 0 HB2 MET A 95 7.035 17.285 -0.703 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.488 16.475 -2.157 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.204 16.389 -1.344 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.689 16.947 0.245 1.00 0.00 H new ATOM 0 HE1 MET A 95 4.557 19.588 -3.593 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.812 18.347 -3.368 1.00 0.00 H new ATOM 0 HE3 MET A 95 4.104 17.869 -3.514 1.00 0.00 H new ATOM 1443 N ALA A 96 5.477 14.876 1.726 1.00 0.00 N ATOM 1444 CA ALA A 96 5.441 14.747 3.179 1.00 0.00 C ATOM 1445 C ALA A 96 6.189 13.492 3.653 1.00 0.00 C ATOM 1446 O ALA A 96 6.694 13.490 4.778 1.00 0.00 O ATOM 1447 CB ALA A 96 3.994 14.734 3.674 1.00 0.00 C ATOM 0 H ALA A 96 4.593 14.671 1.260 1.00 0.00 H new ATOM 0 HA ALA A 96 5.950 15.611 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.982 14.637 4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.503 15.664 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.465 13.892 3.229 1.00 0.00 H new ATOM 1453 N TYR A 97 6.291 12.451 2.814 1.00 0.00 N ATOM 1454 CA TYR A 97 6.785 11.132 3.219 1.00 0.00 C ATOM 1455 C TYR A 97 7.843 10.554 2.268 1.00 0.00 C ATOM 1456 O TYR A 97 8.410 9.502 2.568 1.00 0.00 O ATOM 1457 CB TYR A 97 5.591 10.175 3.365 1.00 0.00 C ATOM 1458 CG TYR A 97 4.468 10.704 4.242 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.597 10.682 5.643 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.312 11.257 3.658 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.564 11.174 6.461 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.273 11.743 4.468 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.392 11.706 5.876 1.00 0.00 C ATOM 1464 OH TYR A 97 1.405 12.199 6.677 1.00 0.00 O ATOM 0 H TYR A 97 6.031 12.504 1.829 1.00 0.00 H new ATOM 0 HA TYR A 97 7.293 11.250 4.176 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.191 9.958 2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.946 9.231 3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.495 10.285 6.093 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.224 11.308 2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.666 11.145 7.536 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.380 12.146 4.014 1.00 0.00 H new ATOM 0 HH TYR A 97 0.667 12.528 6.122 1.00 0.00 H new ATOM 1474 N GLY A 98 8.155 11.233 1.158 1.00 0.00 N ATOM 1475 CA GLY A 98 9.188 10.799 0.219 1.00 0.00 C ATOM 1476 C GLY A 98 8.762 9.579 -0.609 1.00 0.00 C ATOM 1477 O GLY A 98 7.616 9.127 -0.508 1.00 0.00 O ATOM 0 H GLY A 98 7.694 12.102 0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.431 11.622 -0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.097 10.559 0.771 1.00 0.00 H new ATOM 1481 N PRO A 99 9.650 9.050 -1.467 1.00 0.00 N ATOM 1482 CA PRO A 99 9.388 7.836 -2.228 1.00 0.00 C ATOM 1483 C PRO A 99 9.358 6.610 -1.309 1.00 0.00 C ATOM 1484 O PRO A 99 10.200 6.466 -0.416 1.00 0.00 O ATOM 1485 CB PRO A 99 10.533 7.727 -3.241 1.00 0.00 C ATOM 1486 CG PRO A 99 11.683 8.489 -2.582 1.00 0.00 C ATOM 1487 CD PRO A 99 10.978 9.570 -1.762 1.00 0.00 C ATOM 0 HA PRO A 99 8.417 7.876 -2.722 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.800 6.688 -3.431 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.261 8.167 -4.200 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.286 7.837 -1.950 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.353 8.923 -3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.526 9.783 -0.844 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.916 10.504 -2.320 1.00 0.00 H new ATOM 1495 N ALA A 100 8.399 5.713 -1.544 1.00 0.00 N ATOM 1496 CA ALA A 100 8.367 4.394 -0.923 1.00 0.00 C ATOM 1497 C ALA A 100 9.453 3.492 -1.543 1.00 0.00 C ATOM 1498 O ALA A 100 10.132 3.878 -2.498 1.00 0.00 O ATOM 1499 CB ALA A 100 6.977 3.791 -1.130 1.00 0.00 C ATOM 0 H ALA A 100 7.618 5.886 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 100 8.569 4.477 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.937 2.803 -0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.228 4.436 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.774 3.703 -2.197 1.00 0.00 H new ATOM 1505 N GLN A 101 9.596 2.265 -1.022 1.00 0.00 N ATOM 1506 CA GLN A 101 10.563 1.293 -1.541 1.00 0.00 C ATOM 1507 C GLN A 101 10.226 0.842 -2.968 1.00 0.00 C ATOM 1508 O GLN A 101 11.137 0.513 -3.726 1.00 0.00 O ATOM 1509 CB GLN A 101 10.629 0.050 -0.632 1.00 0.00 C ATOM 1510 CG GLN A 101 11.075 0.324 0.812 1.00 0.00 C ATOM 1511 CD GLN A 101 12.433 1.026 0.896 1.00 0.00 C ATOM 1512 OE1 GLN A 101 12.517 2.228 1.130 1.00 0.00 O ATOM 1513 NE2 GLN A 101 13.523 0.304 0.692 1.00 0.00 N ATOM 0 H GLN A 101 9.047 1.922 -0.234 1.00 0.00 H new ATOM 0 HA GLN A 101 11.529 1.798 -1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.645 -0.418 -0.610 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.314 -0.671 -1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 101 10.323 0.938 1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 101 11.126 -0.619 1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.445 -0.694 0.498 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.442 0.746 0.729 1.00 0.00 H new ATOM 1522 N HIS A 102 8.933 0.793 -3.314 1.00 0.00 N ATOM 1523 CA HIS A 102 8.341 0.299 -4.562 1.00 0.00 C ATOM 1524 C HIS A 102 8.581 -1.182 -4.879 1.00 0.00 C ATOM 1525 O HIS A 102 7.685 -1.819 -5.429 1.00 0.00 O ATOM 1526 CB HIS A 102 8.652 1.246 -5.724 1.00 0.00 C ATOM 1527 CG HIS A 102 8.088 2.624 -5.477 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.789 3.808 -5.418 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.798 2.903 -5.111 1.00 0.00 C ATOM 1530 CE1 HIS A 102 7.937 4.772 -5.029 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.708 4.267 -4.830 1.00 0.00 N ATOM 0 H HIS A 102 8.214 1.127 -2.672 1.00 0.00 H new ATOM 0 HA HIS A 102 7.263 0.314 -4.400 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.731 1.312 -5.863 1.00 0.00 H new ATOM 0 HB3 HIS A 102 8.236 0.841 -6.647 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.779 3.931 -5.632 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.989 2.190 -5.050 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.204 5.810 -4.895 1.00 0.00 H new ATOM 1539 N ALA A 103 9.707 -1.763 -4.462 1.00 0.00 N ATOM 1540 CA ALA A 103 9.993 -3.185 -4.595 1.00 0.00 C ATOM 1541 C ALA A 103 8.986 -4.019 -3.797 1.00 0.00 C ATOM 1542 O ALA A 103 8.467 -5.017 -4.296 1.00 0.00 O ATOM 1543 CB ALA A 103 11.420 -3.449 -4.096 1.00 0.00 C ATOM 0 H ALA A 103 10.460 -1.242 -4.013 1.00 0.00 H new ATOM 0 HA ALA A 103 9.908 -3.475 -5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.648 -4.511 -4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.127 -2.872 -4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.501 -3.152 -3.050 1.00 0.00 H new ATOM 1549 N ILE A 104 8.693 -3.600 -2.559 1.00 0.00 N ATOM 1550 CA ILE A 104 7.703 -4.260 -1.712 1.00 0.00 C ATOM 1551 C ILE A 104 6.348 -4.197 -2.429 1.00 0.00 C ATOM 1552 O ILE A 104 5.641 -5.203 -2.514 1.00 0.00 O ATOM 1553 CB ILE A 104 7.668 -3.599 -0.308 1.00 0.00 C ATOM 1554 CG1 ILE A 104 9.060 -3.640 0.369 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.617 -4.283 0.587 1.00 0.00 C ATOM 1556 CD1 ILE A 104 9.133 -2.885 1.701 1.00 0.00 C ATOM 0 H ILE A 104 9.138 -2.794 -2.121 1.00 0.00 H new ATOM 0 HA ILE A 104 7.962 -5.306 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 104 7.389 -2.554 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.339 -4.680 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.797 -3.219 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.607 -3.806 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.633 -4.190 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.866 -5.338 0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 104 10.141 -2.963 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.888 -1.836 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.423 -3.319 2.405 1.00 0.00 H new ATOM 1568 N SER A 105 6.004 -3.026 -2.968 1.00 0.00 N ATOM 1569 CA SER A 105 4.726 -2.750 -3.586 1.00 0.00 C ATOM 1570 C SER A 105 4.513 -3.687 -4.769 1.00 0.00 C ATOM 1571 O SER A 105 3.493 -4.372 -4.820 1.00 0.00 O ATOM 1572 CB SER A 105 4.682 -1.274 -4.014 1.00 0.00 C ATOM 1573 OG SER A 105 5.502 -0.494 -3.154 1.00 0.00 O ATOM 0 H SER A 105 6.635 -2.224 -2.982 1.00 0.00 H new ATOM 0 HA SER A 105 3.917 -2.925 -2.877 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.024 -1.175 -5.044 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.656 -0.908 -3.982 1.00 0.00 H new ATOM 0 HG SER A 105 5.182 0.432 -3.148 1.00 0.00 H new ATOM 1579 N THR A 106 5.467 -3.766 -5.699 1.00 0.00 N ATOM 1580 CA THR A 106 5.273 -4.552 -6.901 1.00 0.00 C ATOM 1581 C THR A 106 5.196 -6.034 -6.580 1.00 0.00 C ATOM 1582 O THR A 106 4.298 -6.689 -7.098 1.00 0.00 O ATOM 1583 CB THR A 106 6.353 -4.243 -7.943 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.650 -4.296 -7.383 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.106 -2.843 -8.494 1.00 0.00 C ATOM 0 H THR A 106 6.371 -3.297 -5.637 1.00 0.00 H new ATOM 0 HA THR A 106 4.316 -4.270 -7.339 1.00 0.00 H new ATOM 0 HB THR A 106 6.297 -4.993 -8.732 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.310 -4.415 -8.097 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.866 -2.606 -9.238 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.120 -2.803 -8.957 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.155 -2.118 -7.681 1.00 0.00 H new ATOM 1593 N GLU A 107 6.052 -6.568 -5.705 1.00 0.00 N ATOM 1594 CA GLU A 107 6.003 -7.984 -5.363 1.00 0.00 C ATOM 1595 C GLU A 107 4.634 -8.344 -4.773 1.00 0.00 C ATOM 1596 O GLU A 107 4.045 -9.358 -5.158 1.00 0.00 O ATOM 1597 CB GLU A 107 7.150 -8.347 -4.406 1.00 0.00 C ATOM 1598 CG GLU A 107 8.535 -8.299 -5.075 1.00 0.00 C ATOM 1599 CD GLU A 107 8.689 -9.330 -6.205 1.00 0.00 C ATOM 1600 OE1 GLU A 107 8.895 -10.532 -5.916 1.00 0.00 O ATOM 1601 OE2 GLU A 107 8.625 -8.940 -7.393 1.00 0.00 O ATOM 0 H GLU A 107 6.782 -6.041 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 107 6.136 -8.572 -6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.139 -7.661 -3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.980 -9.348 -4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.705 -7.300 -5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.303 -8.475 -4.322 1.00 0.00 H new ATOM 1608 N LYS A 108 4.081 -7.491 -3.902 1.00 0.00 N ATOM 1609 CA LYS A 108 2.754 -7.712 -3.335 1.00 0.00 C ATOM 1610 C LYS A 108 1.670 -7.606 -4.405 1.00 0.00 C ATOM 1611 O LYS A 108 0.792 -8.468 -4.453 1.00 0.00 O ATOM 1612 CB LYS A 108 2.501 -6.724 -2.188 1.00 0.00 C ATOM 1613 CG LYS A 108 3.331 -7.077 -0.948 1.00 0.00 C ATOM 1614 CD LYS A 108 3.100 -6.059 0.176 1.00 0.00 C ATOM 1615 CE LYS A 108 3.794 -6.538 1.457 1.00 0.00 C ATOM 1616 NZ LYS A 108 2.916 -7.406 2.274 1.00 0.00 N ATOM 0 H LYS A 108 4.538 -6.639 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 108 2.714 -8.725 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.747 -5.714 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.442 -6.727 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.065 -8.075 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.389 -7.102 -1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.489 -5.084 -0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.032 -5.935 0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.701 -7.084 1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.101 -5.675 2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.498 -7.995 2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.278 -6.815 2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.354 -8.018 1.649 1.00 0.00 H new ATOM 1630 N ILE A 109 1.711 -6.591 -5.274 1.00 0.00 N ATOM 1631 CA ILE A 109 0.699 -6.420 -6.316 1.00 0.00 C ATOM 1632 C ILE A 109 0.761 -7.622 -7.277 1.00 0.00 C ATOM 1633 O ILE A 109 -0.290 -8.176 -7.594 1.00 0.00 O ATOM 1634 CB ILE A 109 0.823 -5.032 -7.006 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.613 -3.857 -6.015 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.238 -4.866 -8.119 1.00 0.00 C ATOM 1637 CD1 ILE A 109 1.211 -2.538 -6.529 1.00 0.00 C ATOM 0 H ILE A 109 2.437 -5.875 -5.274 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.300 -6.414 -5.879 1.00 0.00 H new ATOM 0 HB ILE A 109 1.834 -5.001 -7.413 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.454 -3.723 -5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.067 -4.109 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.127 -3.886 -8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.100 -5.642 -8.872 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.235 -4.952 -7.687 1.00 0.00 H new ATOM 0 HD11 ILE A 109 1.036 -1.749 -5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.283 -2.660 -6.682 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.739 -2.268 -7.473 1.00 0.00 H new ATOM 1649 N LYS A 110 1.949 -8.100 -7.687 1.00 0.00 N ATOM 1650 CA LYS A 110 2.070 -9.292 -8.538 1.00 0.00 C ATOM 1651 C LYS A 110 1.417 -10.484 -7.840 1.00 0.00 C ATOM 1652 O LYS A 110 0.633 -11.197 -8.462 1.00 0.00 O ATOM 1653 CB LYS A 110 3.539 -9.653 -8.843 1.00 0.00 C ATOM 1654 CG LYS A 110 4.361 -8.665 -9.686 1.00 0.00 C ATOM 1655 CD LYS A 110 5.841 -9.076 -9.608 1.00 0.00 C ATOM 1656 CE LYS A 110 6.772 -8.063 -10.281 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.198 -8.418 -10.077 1.00 0.00 N ATOM 0 H LYS A 110 2.842 -7.675 -7.440 1.00 0.00 H new ATOM 0 HA LYS A 110 1.573 -9.064 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.054 -9.791 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.548 -10.616 -9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.019 -8.673 -10.721 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.229 -7.649 -9.315 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.128 -9.188 -8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.969 -10.050 -10.080 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.555 -8.021 -11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.582 -7.068 -9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.802 -7.677 -10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.393 -8.501 -9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.400 -9.326 -10.543 1.00 0.00 H new ATOM 1786 N VAL A 118 3.628 -6.561 -12.850 1.00 0.00 N ATOM 1787 CA VAL A 118 3.834 -5.236 -12.289 1.00 0.00 C ATOM 1788 C VAL A 118 5.326 -4.931 -12.373 1.00 0.00 C ATOM 1789 O VAL A 118 6.142 -5.826 -12.143 1.00 0.00 O ATOM 1790 CB VAL A 118 3.343 -5.155 -10.825 1.00 0.00 C ATOM 1791 CG1 VAL A 118 3.046 -3.700 -10.438 1.00 0.00 C ATOM 1792 CG2 VAL A 118 2.089 -5.987 -10.517 1.00 0.00 C ATOM 0 HA VAL A 118 3.257 -4.503 -12.852 1.00 0.00 H new ATOM 0 HB VAL A 118 4.162 -5.574 -10.240 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.702 -3.661 -9.405 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.953 -3.104 -10.541 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.272 -3.300 -11.093 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.821 -5.867 -9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 118 1.264 -5.647 -11.143 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.291 -7.038 -10.722 1.00 0.00 H new ATOM 1802 N THR A 119 5.685 -3.681 -12.641 1.00 0.00 N ATOM 1803 CA THR A 119 7.060 -3.197 -12.591 1.00 0.00 C ATOM 1804 C THR A 119 7.077 -1.825 -11.912 1.00 0.00 C ATOM 1805 O THR A 119 6.020 -1.266 -11.599 1.00 0.00 O ATOM 1806 CB THR A 119 7.664 -3.166 -14.009 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.794 -2.517 -14.922 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.954 -4.581 -14.516 1.00 0.00 C ATOM 0 H THR A 119 5.014 -2.960 -12.905 1.00 0.00 H new ATOM 0 HA THR A 119 7.682 -3.871 -12.002 1.00 0.00 H new ATOM 0 HB THR A 119 8.598 -2.608 -13.946 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.758 -1.560 -14.715 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.379 -4.528 -15.518 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.662 -5.069 -13.847 1.00 0.00 H new ATOM 0 HG23 THR A 119 7.027 -5.154 -14.545 1.00 0.00 H new ATOM 1816 N TRP A 120 8.267 -1.276 -11.664 1.00 0.00 N ATOM 1817 CA TRP A 120 8.402 0.077 -11.147 1.00 0.00 C ATOM 1818 C TRP A 120 9.623 0.761 -11.748 1.00 0.00 C ATOM 1819 O TRP A 120 10.558 0.094 -12.201 1.00 0.00 O ATOM 1820 CB TRP A 120 8.448 0.083 -9.609 1.00 0.00 C ATOM 1821 CG TRP A 120 9.634 -0.561 -8.959 1.00 0.00 C ATOM 1822 CD1 TRP A 120 9.779 -1.883 -8.722 1.00 0.00 C ATOM 1823 CD2 TRP A 120 10.846 0.069 -8.436 1.00 0.00 C ATOM 1824 NE1 TRP A 120 10.989 -2.122 -8.109 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.690 -0.955 -7.903 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.319 1.399 -8.354 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 12.938 -0.678 -7.327 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.579 1.682 -7.786 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.385 0.651 -7.273 1.00 0.00 C ATOM 0 H TRP A 120 9.154 -1.756 -11.816 1.00 0.00 H new ATOM 0 HA TRP A 120 7.521 0.646 -11.445 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.399 1.119 -9.273 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.550 -0.414 -9.242 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.053 -2.641 -8.976 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.324 -3.048 -7.841 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.709 2.207 -8.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.547 -1.477 -6.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 12.928 2.703 -7.745 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.346 0.881 -6.838 1.00 0.00 H new