USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 403 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 105 CYS SG : rot 159:sc= 1.32 USER MOD Set 1.2: A 107 THR OG1 : rot 110:sc= 0.509 USER MOD Set 1.3: A 108 CYS SG : rot -58:sc= 1.28 USER MOD Set 1.4: A 110 SER OG : rot 99:sc= 1.35 USER MOD Set 1.5: A 131 CYS SG : rot -131:sc= 0.698 USER MOD Set 1.6: A 134 CYS SG : rot 82:sc= 1.21 USER MOD Set 2.1: A 93 CYS SG : rot 40:sc= 0.757 USER MOD Set 2.2: A 96 CYS SG : rot -63:sc= -0.521 USER MOD Set 2.3: A 113 HIS : no HE2:sc= -0.972 K(o=-0.9,f=-4.3!) USER MOD Set 2.4: A 116 CYS SG : rot 178:sc= -0.162 USER MOD Single : A 89 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-6.4!) USER MOD Single : A 90 MET CE :methyl -175:sc= -0.913 (180deg=-0.976) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= -0.0378 (180deg=-0.322) USER MOD Single : A 104 CYS SG : rot 27:sc= -4.81! USER MOD Single : A 111 SER OG : rot 168:sc= 1.16 USER MOD Single : A 112 TYR OH : rot 180:sc= 0.166 USER MOD Single : A 115 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=-0.017) USER MOD Single : A 118 ASN : amide:sc= -1.97! K(o=-2!,f=-0.045) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 THR OG1 : rot 163:sc= -0.814 USER MOD Single : B 146 THR OG1 : rot 140:sc= -0.443 USER MOD Single : B 147 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0269) USER MOD Single : B 148 GLN : amide:sc= -3.94! K(o=-3.9!,f=-0.93) USER MOD Single : B 149 THR OG1 : rot -129:sc= 0.539 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 89 -8.593 1.917 7.508 1.00 0.00 N ATOM 32 CA HIS A 89 -7.335 1.772 6.790 1.00 0.00 C ATOM 33 C HIS A 89 -6.217 1.842 7.805 1.00 0.00 C ATOM 34 O HIS A 89 -6.178 2.777 8.603 1.00 0.00 O ATOM 35 CB HIS A 89 -7.142 2.869 5.731 1.00 0.00 C ATOM 36 CG HIS A 89 -7.947 2.702 4.485 1.00 0.00 C ATOM 37 ND1 HIS A 89 -9.316 2.531 4.473 1.00 0.00 N ATOM 38 CD2 HIS A 89 -7.552 2.704 3.192 1.00 0.00 C ATOM 39 CE1 HIS A 89 -9.731 2.434 3.223 1.00 0.00 C ATOM 40 NE2 HIS A 89 -8.683 2.535 2.426 1.00 0.00 N ATOM 0 HA HIS A 89 -7.336 0.818 6.262 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.391 3.831 6.179 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.087 2.908 5.460 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -6.541 2.817 2.829 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -10.754 2.296 2.906 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -8.708 2.494 1.407 1.00 0.00 H new ATOM 49 N MET A 90 -5.333 0.847 7.780 1.00 0.00 N ATOM 50 CA MET A 90 -4.296 0.694 8.802 1.00 0.00 C ATOM 51 C MET A 90 -3.613 2.022 9.113 1.00 0.00 C ATOM 52 O MET A 90 -3.373 2.838 8.223 1.00 0.00 O ATOM 53 CB MET A 90 -3.246 -0.331 8.370 1.00 0.00 C ATOM 54 CG MET A 90 -3.831 -1.652 7.898 1.00 0.00 C ATOM 55 SD MET A 90 -2.655 -3.014 8.005 1.00 0.00 S ATOM 56 CE MET A 90 -1.233 -2.298 7.194 1.00 0.00 C ATOM 0 H MET A 90 -5.313 0.128 7.057 1.00 0.00 H new ATOM 0 HA MET A 90 -4.792 0.339 9.706 1.00 0.00 H new ATOM 0 HB2 MET A 90 -2.645 0.096 7.567 1.00 0.00 H new ATOM 0 HB3 MET A 90 -2.573 -0.521 9.206 1.00 0.00 H new ATOM 0 HG2 MET A 90 -4.710 -1.889 8.497 1.00 0.00 H new ATOM 0 HG3 MET A 90 -4.166 -1.548 6.866 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.450 -3.050 7.102 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.518 -1.947 6.202 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.862 -1.459 7.783 1.00 0.00 H new ATOM 66 N GLU A 91 -3.288 2.220 10.383 1.00 0.00 N ATOM 67 CA GLU A 91 -2.716 3.478 10.859 1.00 0.00 C ATOM 68 C GLU A 91 -1.223 3.553 10.548 1.00 0.00 C ATOM 69 O GLU A 91 -0.452 4.188 11.265 1.00 0.00 O ATOM 70 CB GLU A 91 -2.962 3.602 12.361 1.00 0.00 C ATOM 71 CG GLU A 91 -2.456 2.404 13.148 1.00 0.00 C ATOM 72 CD GLU A 91 -3.128 2.277 14.494 1.00 0.00 C ATOM 73 OE1 GLU A 91 -4.223 1.681 14.554 1.00 0.00 O ATOM 74 OE2 GLU A 91 -2.575 2.776 15.498 1.00 0.00 O ATOM 0 H GLU A 91 -3.412 1.518 11.112 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.199 4.308 10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.474 4.504 12.730 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.031 3.722 12.540 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.627 1.495 12.572 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.379 2.494 13.289 1.00 0.00 H new ATOM 81 N PHE A 92 -0.838 2.878 9.483 1.00 0.00 N ATOM 82 CA PHE A 92 0.504 2.938 8.949 1.00 0.00 C ATOM 83 C PHE A 92 0.564 2.218 7.617 1.00 0.00 C ATOM 84 O PHE A 92 -0.161 1.252 7.376 1.00 0.00 O ATOM 85 CB PHE A 92 1.553 2.354 9.903 1.00 0.00 C ATOM 86 CG PHE A 92 1.163 1.075 10.588 1.00 0.00 C ATOM 87 CD1 PHE A 92 1.462 -0.139 10.006 1.00 0.00 C ATOM 88 CD2 PHE A 92 0.521 1.086 11.815 1.00 0.00 C ATOM 89 CE1 PHE A 92 1.128 -1.320 10.625 1.00 0.00 C ATOM 90 CE2 PHE A 92 0.181 -0.096 12.445 1.00 0.00 C ATOM 91 CZ PHE A 92 0.485 -1.303 11.847 1.00 0.00 C ATOM 0 H PHE A 92 -1.460 2.264 8.958 1.00 0.00 H new ATOM 0 HA PHE A 92 0.745 3.993 8.817 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.472 2.180 9.343 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.781 3.099 10.665 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.965 -0.162 9.051 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.283 2.029 12.285 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.369 -2.262 10.155 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.321 -0.076 13.401 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.221 -2.230 12.333 1.00 0.00 H new ATOM 101 N CYS A 93 1.423 2.730 6.765 1.00 0.00 N ATOM 102 CA CYS A 93 1.673 2.187 5.449 1.00 0.00 C ATOM 103 C CYS A 93 2.099 0.735 5.542 1.00 0.00 C ATOM 104 O CYS A 93 3.136 0.418 6.118 1.00 0.00 O ATOM 105 CB CYS A 93 2.737 3.058 4.803 1.00 0.00 C ATOM 106 SG CYS A 93 3.731 2.318 3.504 1.00 0.00 S ATOM 0 H CYS A 93 1.982 3.557 6.974 1.00 0.00 H new ATOM 0 HA CYS A 93 0.770 2.197 4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 93 2.246 3.940 4.391 1.00 0.00 H new ATOM 0 HB3 CYS A 93 3.410 3.405 5.587 1.00 0.00 H new ATOM 0 HG CYS A 93 2.977 1.573 2.752 1.00 0.00 H new ATOM 111 N ARG A 94 1.280 -0.126 4.962 1.00 0.00 N ATOM 112 CA ARG A 94 1.423 -1.568 5.048 1.00 0.00 C ATOM 113 C ARG A 94 2.834 -2.042 4.698 1.00 0.00 C ATOM 114 O ARG A 94 3.291 -3.074 5.188 1.00 0.00 O ATOM 115 CB ARG A 94 0.410 -2.173 4.091 1.00 0.00 C ATOM 116 CG ARG A 94 0.218 -3.665 4.217 1.00 0.00 C ATOM 117 CD ARG A 94 -0.667 -4.149 3.094 1.00 0.00 C ATOM 118 NE ARG A 94 -1.004 -5.564 3.218 1.00 0.00 N ATOM 119 CZ ARG A 94 -1.056 -6.420 2.198 1.00 0.00 C ATOM 120 NH1 ARG A 94 -0.693 -6.042 0.973 1.00 0.00 N ATOM 121 NH2 ARG A 94 -1.467 -7.664 2.412 1.00 0.00 N ATOM 0 H ARG A 94 0.477 0.167 4.405 1.00 0.00 H new ATOM 0 HA ARG A 94 1.247 -1.887 6.075 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.552 -1.684 4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.719 -1.947 3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.182 -4.172 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.232 -3.906 5.180 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.584 -3.560 3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.165 -3.981 2.141 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.214 -5.922 4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.371 -5.088 0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.737 -6.706 0.200 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.739 -7.957 3.350 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.510 -8.327 1.638 1.00 0.00 H new ATOM 135 N VAL A 95 3.511 -1.293 3.841 1.00 0.00 N ATOM 136 CA VAL A 95 4.855 -1.657 3.413 1.00 0.00 C ATOM 137 C VAL A 95 5.886 -1.428 4.513 1.00 0.00 C ATOM 138 O VAL A 95 6.602 -2.348 4.905 1.00 0.00 O ATOM 139 CB VAL A 95 5.291 -0.845 2.179 1.00 0.00 C ATOM 140 CG1 VAL A 95 6.586 -1.395 1.597 1.00 0.00 C ATOM 141 CG2 VAL A 95 4.194 -0.830 1.141 1.00 0.00 C ATOM 0 H VAL A 95 3.154 -0.431 3.428 1.00 0.00 H new ATOM 0 HA VAL A 95 4.813 -2.718 3.168 1.00 0.00 H new ATOM 0 HB VAL A 95 5.477 0.182 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.873 -0.805 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.374 -1.341 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.439 -2.433 1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.519 -0.252 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.972 -1.851 0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.298 -0.376 1.565 1.00 0.00 H new ATOM 151 N CYS A 96 5.947 -0.207 5.029 1.00 0.00 N ATOM 152 CA CYS A 96 7.055 0.166 5.887 1.00 0.00 C ATOM 153 C CYS A 96 6.639 0.347 7.348 1.00 0.00 C ATOM 154 O CYS A 96 7.486 0.458 8.238 1.00 0.00 O ATOM 155 CB CYS A 96 7.703 1.433 5.360 1.00 0.00 C ATOM 156 SG CYS A 96 6.716 2.927 5.545 1.00 0.00 S ATOM 0 H CYS A 96 5.256 0.526 4.871 1.00 0.00 H new ATOM 0 HA CYS A 96 7.773 -0.654 5.868 1.00 0.00 H new ATOM 0 HB2 CYS A 96 8.653 1.578 5.874 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.930 1.294 4.303 1.00 0.00 H new ATOM 0 HG CYS A 96 5.623 2.813 4.851 1.00 0.00 H new ATOM 161 N LYS A 97 5.331 0.382 7.563 1.00 0.00 N ATOM 162 CA LYS A 97 4.709 0.445 8.895 1.00 0.00 C ATOM 163 C LYS A 97 4.762 1.860 9.496 1.00 0.00 C ATOM 164 O LYS A 97 4.416 2.066 10.653 1.00 0.00 O ATOM 165 CB LYS A 97 5.341 -0.590 9.828 1.00 0.00 C ATOM 166 CG LYS A 97 5.339 -1.993 9.230 1.00 0.00 C ATOM 167 CD LYS A 97 4.030 -2.726 9.476 1.00 0.00 C ATOM 168 CE LYS A 97 3.913 -3.196 10.919 1.00 0.00 C ATOM 169 NZ LYS A 97 4.920 -4.240 11.247 1.00 0.00 N ATOM 0 H LYS A 97 4.650 0.367 6.804 1.00 0.00 H new ATOM 0 HA LYS A 97 3.653 0.202 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.366 -0.295 10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.799 -0.601 10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.520 -1.928 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.160 -2.568 9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.194 -2.068 9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.961 -3.584 8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.041 -2.346 11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.912 -3.591 11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.628 -4.746 12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.992 -4.913 10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.845 -3.792 11.405 1.00 0.00 H new ATOM 183 N ASP A 98 5.155 2.829 8.678 1.00 0.00 N ATOM 184 CA ASP A 98 5.104 4.250 9.038 1.00 0.00 C ATOM 185 C ASP A 98 3.719 4.800 8.733 1.00 0.00 C ATOM 186 O ASP A 98 3.150 4.493 7.687 1.00 0.00 O ATOM 187 CB ASP A 98 6.111 5.067 8.218 1.00 0.00 C ATOM 188 CG ASP A 98 7.555 4.894 8.634 1.00 0.00 C ATOM 189 OD1 ASP A 98 8.144 3.833 8.352 1.00 0.00 O ATOM 190 OD2 ASP A 98 8.123 5.851 9.194 1.00 0.00 O ATOM 0 H ASP A 98 5.520 2.656 7.742 1.00 0.00 H new ATOM 0 HA ASP A 98 5.341 4.331 10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.014 4.789 7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.849 6.122 8.294 1.00 0.00 H new ATOM 195 N GLY A 99 3.195 5.657 9.599 1.00 0.00 N ATOM 196 CA GLY A 99 1.841 6.127 9.428 1.00 0.00 C ATOM 197 C GLY A 99 1.812 7.502 8.814 1.00 0.00 C ATOM 198 O GLY A 99 1.286 8.443 9.395 1.00 0.00 O ATOM 0 H GLY A 99 3.683 6.032 10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.290 5.432 8.795 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.336 6.147 10.394 1.00 0.00 H new ATOM 202 N GLY A 100 2.407 7.631 7.648 1.00 0.00 N ATOM 203 CA GLY A 100 2.478 8.925 7.008 1.00 0.00 C ATOM 204 C GLY A 100 1.174 9.303 6.362 1.00 0.00 C ATOM 205 O GLY A 100 0.103 8.899 6.818 1.00 0.00 O ATOM 0 H GLY A 100 2.843 6.868 7.130 1.00 0.00 H new ATOM 0 HA2 GLY A 100 2.750 9.680 7.745 1.00 0.00 H new ATOM 0 HA3 GLY A 100 3.267 8.915 6.256 1.00 0.00 H new ATOM 209 N GLU A 101 1.256 10.090 5.321 1.00 0.00 N ATOM 210 CA GLU A 101 0.090 10.353 4.508 1.00 0.00 C ATOM 211 C GLU A 101 -0.178 9.110 3.672 1.00 0.00 C ATOM 212 O GLU A 101 0.528 8.830 2.701 1.00 0.00 O ATOM 213 CB GLU A 101 0.294 11.592 3.633 1.00 0.00 C ATOM 214 CG GLU A 101 -1.016 12.202 3.150 1.00 0.00 C ATOM 215 CD GLU A 101 -0.843 13.516 2.412 1.00 0.00 C ATOM 216 OE1 GLU A 101 -0.153 14.416 2.935 1.00 0.00 O ATOM 217 OE2 GLU A 101 -1.431 13.668 1.322 1.00 0.00 O ATOM 0 H GLU A 101 2.109 10.558 5.015 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.773 10.567 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 101 0.851 12.340 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 101 0.904 11.324 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.517 11.491 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.670 12.361 4.007 1.00 0.00 H new ATOM 224 N LEU A 102 -1.189 8.357 4.073 1.00 0.00 N ATOM 225 CA LEU A 102 -1.392 7.021 3.540 1.00 0.00 C ATOM 226 C LEU A 102 -2.471 7.001 2.491 1.00 0.00 C ATOM 227 O LEU A 102 -3.583 7.474 2.714 1.00 0.00 O ATOM 228 CB LEU A 102 -1.753 6.049 4.654 1.00 0.00 C ATOM 229 CG LEU A 102 -0.873 6.162 5.891 1.00 0.00 C ATOM 230 CD1 LEU A 102 -1.494 5.443 7.077 1.00 0.00 C ATOM 231 CD2 LEU A 102 0.501 5.605 5.580 1.00 0.00 C ATOM 0 H LEU A 102 -1.880 8.648 4.764 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.454 6.713 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.791 6.215 4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.689 5.032 4.268 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.781 7.213 6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.842 5.542 7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -2.466 5.883 7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.621 4.387 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.134 5.684 6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.412 4.558 5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.947 6.171 4.762 1.00 0.00 H new ATOM 243 N LEU A 103 -2.139 6.397 1.379 1.00 0.00 N ATOM 244 CA LEU A 103 -2.996 6.336 0.237 1.00 0.00 C ATOM 245 C LEU A 103 -4.107 5.356 0.529 1.00 0.00 C ATOM 246 O LEU A 103 -3.900 4.141 0.563 1.00 0.00 O ATOM 247 CB LEU A 103 -2.170 5.912 -0.971 1.00 0.00 C ATOM 248 CG LEU A 103 -2.681 6.386 -2.324 1.00 0.00 C ATOM 249 CD1 LEU A 103 -3.462 7.676 -2.182 1.00 0.00 C ATOM 250 CD2 LEU A 103 -1.515 6.587 -3.271 1.00 0.00 C ATOM 0 H LEU A 103 -1.244 5.926 1.246 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.441 7.306 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.153 6.280 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.115 4.823 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.348 5.625 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.817 7.996 -3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.314 7.515 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.817 8.447 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.886 6.926 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.837 7.335 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.982 5.645 -3.397 1.00 0.00 H new ATOM 262 N CYS A 104 -5.267 5.901 0.796 1.00 0.00 N ATOM 263 CA CYS A 104 -6.379 5.113 1.270 1.00 0.00 C ATOM 264 C CYS A 104 -7.054 4.380 0.127 1.00 0.00 C ATOM 265 O CYS A 104 -7.982 4.906 -0.484 1.00 0.00 O ATOM 266 CB CYS A 104 -7.370 6.013 1.986 1.00 0.00 C ATOM 267 SG CYS A 104 -6.625 7.008 3.292 1.00 0.00 S ATOM 0 H CYS A 104 -5.468 6.896 0.692 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.005 4.364 1.968 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -7.839 6.675 1.258 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -8.162 5.399 2.415 1.00 0.00 H new ATOM 0 HG CYS A 104 -5.368 7.206 3.024 1.00 0.00 H new ATOM 273 N CYS A 105 -6.597 3.152 -0.127 1.00 0.00 N ATOM 274 CA CYS A 105 -7.117 2.353 -1.234 1.00 0.00 C ATOM 275 C CYS A 105 -8.637 2.397 -1.251 1.00 0.00 C ATOM 276 O CYS A 105 -9.287 2.013 -0.276 1.00 0.00 O ATOM 277 CB CYS A 105 -6.648 0.904 -1.133 1.00 0.00 C ATOM 278 SG CYS A 105 -7.174 -0.120 -2.530 1.00 0.00 S ATOM 0 H CYS A 105 -5.869 2.691 0.419 1.00 0.00 H new ATOM 0 HA CYS A 105 -6.733 2.779 -2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.560 0.886 -1.068 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -7.030 0.470 -0.209 1.00 0.00 H new ATOM 0 HG CYS A 105 -6.409 -1.168 -2.612 1.00 0.00 H new ATOM 283 N ASP A 106 -9.185 2.881 -2.354 1.00 0.00 N ATOM 284 CA ASP A 106 -10.621 3.124 -2.467 1.00 0.00 C ATOM 285 C ASP A 106 -11.456 1.849 -2.335 1.00 0.00 C ATOM 286 O ASP A 106 -12.644 1.919 -2.017 1.00 0.00 O ATOM 287 CB ASP A 106 -10.945 3.827 -3.791 1.00 0.00 C ATOM 288 CG ASP A 106 -10.568 5.297 -3.779 1.00 0.00 C ATOM 289 OD1 ASP A 106 -11.260 6.085 -3.100 1.00 0.00 O ATOM 290 OD2 ASP A 106 -9.591 5.681 -4.455 1.00 0.00 O ATOM 0 H ASP A 106 -8.655 3.116 -3.193 1.00 0.00 H new ATOM 0 HA ASP A 106 -10.891 3.770 -1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.416 3.327 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -12.011 3.731 -3.998 1.00 0.00 H new ATOM 295 N THR A 107 -10.854 0.686 -2.571 1.00 0.00 N ATOM 296 CA THR A 107 -11.611 -0.563 -2.532 1.00 0.00 C ATOM 297 C THR A 107 -11.341 -1.395 -1.277 1.00 0.00 C ATOM 298 O THR A 107 -12.121 -2.289 -0.954 1.00 0.00 O ATOM 299 CB THR A 107 -11.327 -1.430 -3.769 1.00 0.00 C ATOM 300 OG1 THR A 107 -9.914 -1.603 -3.924 1.00 0.00 O ATOM 301 CG2 THR A 107 -11.916 -0.803 -5.026 1.00 0.00 C ATOM 0 H THR A 107 -9.863 0.582 -2.787 1.00 0.00 H new ATOM 0 HA THR A 107 -12.658 -0.262 -2.519 1.00 0.00 H new ATOM 0 HB THR A 107 -11.799 -2.402 -3.623 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.674 -2.531 -3.720 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.700 -1.438 -5.885 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.995 -0.703 -4.911 1.00 0.00 H new ATOM 0 HG23 THR A 107 -11.475 0.182 -5.182 1.00 0.00 H new ATOM 309 N CYS A 108 -10.257 -1.119 -0.559 1.00 0.00 N ATOM 310 CA CYS A 108 -9.918 -1.944 0.598 1.00 0.00 C ATOM 311 C CYS A 108 -9.179 -1.125 1.652 1.00 0.00 C ATOM 312 O CYS A 108 -8.518 -0.140 1.325 1.00 0.00 O ATOM 313 CB CYS A 108 -9.073 -3.149 0.162 1.00 0.00 C ATOM 314 SG CYS A 108 -7.297 -2.833 0.052 1.00 0.00 S ATOM 0 H CYS A 108 -9.612 -0.352 -0.749 1.00 0.00 H new ATOM 0 HA CYS A 108 -10.844 -2.309 1.042 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -9.239 -3.965 0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.428 -3.490 -0.811 1.00 0.00 H new ATOM 0 HG CYS A 108 -7.079 -1.868 -0.791 1.00 0.00 H new ATOM 319 N PRO A 109 -9.280 -1.525 2.935 1.00 0.00 N ATOM 320 CA PRO A 109 -8.670 -0.794 4.053 1.00 0.00 C ATOM 321 C PRO A 109 -7.151 -0.939 4.138 1.00 0.00 C ATOM 322 O PRO A 109 -6.583 -0.997 5.230 1.00 0.00 O ATOM 323 CB PRO A 109 -9.318 -1.408 5.289 1.00 0.00 C ATOM 324 CG PRO A 109 -9.736 -2.777 4.872 1.00 0.00 C ATOM 325 CD PRO A 109 -10.017 -2.716 3.394 1.00 0.00 C ATOM 0 HA PRO A 109 -8.835 0.277 3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.617 -1.447 6.123 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -10.173 -0.819 5.619 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.951 -3.503 5.086 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.623 -3.094 5.421 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.674 -3.617 2.886 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -11.085 -2.625 3.195 1.00 0.00 H new ATOM 333 N SER A 110 -6.502 -0.963 2.994 1.00 0.00 N ATOM 334 CA SER A 110 -5.057 -1.027 2.939 1.00 0.00 C ATOM 335 C SER A 110 -4.506 0.361 2.706 1.00 0.00 C ATOM 336 O SER A 110 -4.961 1.086 1.817 1.00 0.00 O ATOM 337 CB SER A 110 -4.591 -1.980 1.839 1.00 0.00 C ATOM 338 OG SER A 110 -5.061 -3.298 2.076 1.00 0.00 O ATOM 0 H SER A 110 -6.957 -0.939 2.081 1.00 0.00 H new ATOM 0 HA SER A 110 -4.684 -1.412 3.888 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.952 -1.630 0.872 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.502 -1.981 1.791 1.00 0.00 H new ATOM 0 HG SER A 110 -5.860 -3.463 1.533 1.00 0.00 H new ATOM 344 N SER A 111 -3.552 0.735 3.525 1.00 0.00 N ATOM 345 CA SER A 111 -2.969 2.048 3.463 1.00 0.00 C ATOM 346 C SER A 111 -1.499 1.947 3.080 1.00 0.00 C ATOM 347 O SER A 111 -0.763 1.102 3.592 1.00 0.00 O ATOM 348 CB SER A 111 -3.155 2.729 4.811 1.00 0.00 C ATOM 349 OG SER A 111 -2.789 1.856 5.862 1.00 0.00 O ATOM 0 H SER A 111 -3.160 0.136 4.252 1.00 0.00 H new ATOM 0 HA SER A 111 -3.463 2.648 2.699 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.549 3.634 4.854 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.194 3.035 4.930 1.00 0.00 H new ATOM 0 HG SER A 111 -2.735 2.359 6.701 1.00 0.00 H new ATOM 355 N TYR A 112 -1.085 2.800 2.168 1.00 0.00 N ATOM 356 CA TYR A 112 0.257 2.733 1.598 1.00 0.00 C ATOM 357 C TYR A 112 0.839 4.132 1.461 1.00 0.00 C ATOM 358 O TYR A 112 0.122 5.116 1.555 1.00 0.00 O ATOM 359 CB TYR A 112 0.216 2.080 0.203 1.00 0.00 C ATOM 360 CG TYR A 112 0.253 0.556 0.167 1.00 0.00 C ATOM 361 CD1 TYR A 112 -0.775 -0.218 0.695 1.00 0.00 C ATOM 362 CD2 TYR A 112 1.310 -0.104 -0.446 1.00 0.00 C ATOM 363 CE1 TYR A 112 -0.743 -1.603 0.620 1.00 0.00 C ATOM 364 CE2 TYR A 112 1.352 -1.484 -0.519 1.00 0.00 C ATOM 365 CZ TYR A 112 0.323 -2.228 0.014 1.00 0.00 C ATOM 366 OH TYR A 112 0.359 -3.604 -0.066 1.00 0.00 O ATOM 0 H TYR A 112 -1.660 3.557 1.798 1.00 0.00 H new ATOM 0 HA TYR A 112 0.878 2.136 2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.691 2.412 -0.303 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.060 2.456 -0.375 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -1.613 0.268 1.172 1.00 0.00 H new ATOM 0 HD2 TYR A 112 2.116 0.473 -0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.551 -2.188 1.035 1.00 0.00 H new ATOM 0 HE2 TYR A 112 2.189 -1.977 -0.992 1.00 0.00 H new ATOM 0 HH TYR A 112 1.179 -3.884 -0.525 1.00 0.00 H new ATOM 376 N HIS A 113 2.143 4.219 1.260 1.00 0.00 N ATOM 377 CA HIS A 113 2.757 5.477 0.856 1.00 0.00 C ATOM 378 C HIS A 113 2.827 5.528 -0.654 1.00 0.00 C ATOM 379 O HIS A 113 2.987 4.491 -1.295 1.00 0.00 O ATOM 380 CB HIS A 113 4.183 5.615 1.387 1.00 0.00 C ATOM 381 CG HIS A 113 4.288 6.042 2.807 1.00 0.00 C ATOM 382 ND1 HIS A 113 5.183 5.446 3.644 1.00 0.00 N ATOM 383 CD2 HIS A 113 3.629 7.016 3.474 1.00 0.00 C ATOM 384 CE1 HIS A 113 5.061 6.064 4.803 1.00 0.00 C ATOM 385 NE2 HIS A 113 4.126 7.033 4.753 1.00 0.00 N ATOM 0 H HIS A 113 2.794 3.442 1.368 1.00 0.00 H new ATOM 0 HA HIS A 113 2.148 6.284 1.264 1.00 0.00 H new ATOM 0 HB2 HIS A 113 4.691 4.657 1.273 1.00 0.00 H new ATOM 0 HB3 HIS A 113 4.717 6.335 0.767 1.00 0.00 H new ATOM 0 HD1 HIS A 113 5.817 4.679 3.420 1.00 0.00 H new ATOM 0 HD2 HIS A 113 2.858 7.659 3.076 1.00 0.00 H new ATOM 0 HE1 HIS A 113 5.639 5.823 5.683 1.00 0.00 H new ATOM 393 N ILE A 114 2.741 6.725 -1.220 1.00 0.00 N ATOM 394 CA ILE A 114 2.975 6.901 -2.647 1.00 0.00 C ATOM 395 C ILE A 114 4.404 6.493 -3.000 1.00 0.00 C ATOM 396 O ILE A 114 4.692 6.129 -4.135 1.00 0.00 O ATOM 397 CB ILE A 114 2.736 8.361 -3.094 1.00 0.00 C ATOM 398 CG1 ILE A 114 3.497 9.337 -2.188 1.00 0.00 C ATOM 399 CG2 ILE A 114 1.248 8.670 -3.105 1.00 0.00 C ATOM 400 CD1 ILE A 114 3.293 10.795 -2.546 1.00 0.00 C ATOM 0 H ILE A 114 2.513 7.582 -0.717 1.00 0.00 H new ATOM 0 HA ILE A 114 2.265 6.263 -3.173 1.00 0.00 H new ATOM 0 HB ILE A 114 3.117 8.483 -4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.183 9.179 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.561 9.107 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.093 9.701 -3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.742 7.998 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.840 8.533 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 114 3.863 11.421 -1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 114 3.634 10.970 -3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 114 2.235 11.044 -2.470 1.00 0.00 H new ATOM 412 N HIS A 115 5.282 6.536 -2.001 1.00 0.00 N ATOM 413 CA HIS A 115 6.693 6.205 -2.176 1.00 0.00 C ATOM 414 C HIS A 115 6.952 4.714 -1.941 1.00 0.00 C ATOM 415 O HIS A 115 7.973 4.181 -2.370 1.00 0.00 O ATOM 416 CB HIS A 115 7.535 7.062 -1.213 1.00 0.00 C ATOM 417 CG HIS A 115 9.007 6.779 -1.237 1.00 0.00 C ATOM 418 ND1 HIS A 115 9.828 7.141 -2.278 1.00 0.00 N ATOM 419 CD2 HIS A 115 9.805 6.174 -0.325 1.00 0.00 C ATOM 420 CE1 HIS A 115 11.065 6.774 -2.007 1.00 0.00 C ATOM 421 NE2 HIS A 115 11.081 6.185 -0.827 1.00 0.00 N ATOM 0 H HIS A 115 5.035 6.801 -1.048 1.00 0.00 H new ATOM 0 HA HIS A 115 6.980 6.423 -3.205 1.00 0.00 H new ATOM 0 HB2 HIS A 115 7.378 8.113 -1.454 1.00 0.00 H new ATOM 0 HB3 HIS A 115 7.167 6.909 -0.198 1.00 0.00 H new ATOM 0 HD2 HIS A 115 9.494 5.760 0.623 1.00 0.00 H new ATOM 0 HE1 HIS A 115 11.922 6.930 -2.645 1.00 0.00 H new ATOM 0 HE2 HIS A 115 11.905 5.801 -0.365 1.00 0.00 H new ATOM 430 N CYS A 116 6.016 4.033 -1.286 1.00 0.00 N ATOM 431 CA CYS A 116 6.192 2.613 -0.990 1.00 0.00 C ATOM 432 C CYS A 116 5.352 1.774 -1.939 1.00 0.00 C ATOM 433 O CYS A 116 5.056 0.612 -1.676 1.00 0.00 O ATOM 434 CB CYS A 116 5.828 2.292 0.462 1.00 0.00 C ATOM 435 SG CYS A 116 6.921 3.037 1.697 1.00 0.00 S ATOM 0 H CYS A 116 5.139 4.434 -0.954 1.00 0.00 H new ATOM 0 HA CYS A 116 7.245 2.370 -1.130 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.808 2.628 0.649 1.00 0.00 H new ATOM 0 HB3 CYS A 116 5.837 1.210 0.594 1.00 0.00 H new ATOM 0 HG CYS A 116 6.497 2.737 2.889 1.00 0.00 H new ATOM 440 N LEU A 117 4.964 2.386 -3.042 1.00 0.00 N ATOM 441 CA LEU A 117 4.200 1.713 -4.062 1.00 0.00 C ATOM 442 C LEU A 117 5.123 1.147 -5.124 1.00 0.00 C ATOM 443 O LEU A 117 6.342 1.291 -5.031 1.00 0.00 O ATOM 444 CB LEU A 117 3.206 2.683 -4.677 1.00 0.00 C ATOM 445 CG LEU A 117 2.036 3.014 -3.766 1.00 0.00 C ATOM 446 CD1 LEU A 117 1.156 4.081 -4.382 1.00 0.00 C ATOM 447 CD2 LEU A 117 1.241 1.754 -3.472 1.00 0.00 C ATOM 0 H LEU A 117 5.172 3.362 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 117 3.652 0.885 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.725 3.605 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 117 2.824 2.259 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 117 2.423 3.410 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 117 0.326 4.300 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.741 4.986 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.767 3.726 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.403 1.997 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.864 1.336 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 117 1.885 1.024 -2.981 1.00 0.00 H new ATOM 459 N ASN A 118 4.555 0.513 -6.131 1.00 0.00 N ATOM 460 CA ASN A 118 5.358 -0.047 -7.208 1.00 0.00 C ATOM 461 C ASN A 118 5.759 1.052 -8.175 1.00 0.00 C ATOM 462 O ASN A 118 6.950 1.250 -8.421 1.00 0.00 O ATOM 463 CB ASN A 118 4.639 -1.208 -7.913 1.00 0.00 C ATOM 464 CG ASN A 118 4.576 -2.478 -7.073 1.00 0.00 C ATOM 465 OD1 ASN A 118 4.551 -3.584 -7.610 1.00 0.00 O ATOM 466 ND2 ASN A 118 4.546 -2.336 -5.753 1.00 0.00 N ATOM 0 H ASN A 118 3.550 0.372 -6.229 1.00 0.00 H new ATOM 0 HA ASN A 118 6.266 -0.472 -6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 118 3.625 -0.898 -8.166 1.00 0.00 H new ATOM 0 HB3 ASN A 118 5.150 -1.426 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 118 4.501 -3.159 -5.152 1.00 0.00 H new ATOM 0 HD22 ASN A 118 4.568 -1.404 -5.340 1.00 0.00 H new ATOM 473 N PRO A 119 4.794 1.791 -8.733 1.00 0.00 N ATOM 474 CA PRO A 119 5.065 3.033 -9.422 1.00 0.00 C ATOM 475 C PRO A 119 4.846 4.225 -8.489 1.00 0.00 C ATOM 476 O PRO A 119 3.722 4.714 -8.360 1.00 0.00 O ATOM 477 CB PRO A 119 4.017 3.033 -10.536 1.00 0.00 C ATOM 478 CG PRO A 119 3.068 1.908 -10.232 1.00 0.00 C ATOM 479 CD PRO A 119 3.372 1.472 -8.828 1.00 0.00 C ATOM 0 HA PRO A 119 6.090 3.113 -9.783 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.489 3.986 -10.572 1.00 0.00 H new ATOM 0 HB3 PRO A 119 4.486 2.892 -11.510 1.00 0.00 H new ATOM 0 HG2 PRO A 119 2.033 2.237 -10.322 1.00 0.00 H new ATOM 0 HG3 PRO A 119 3.203 1.085 -10.933 1.00 0.00 H new ATOM 0 HD2 PRO A 119 2.779 2.014 -8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 119 3.177 0.410 -8.676 1.00 0.00 H new ATOM 487 N PRO A 120 5.907 4.694 -7.804 1.00 0.00 N ATOM 488 CA PRO A 120 5.792 5.751 -6.796 1.00 0.00 C ATOM 489 C PRO A 120 5.241 7.056 -7.352 1.00 0.00 C ATOM 490 O PRO A 120 5.725 7.581 -8.358 1.00 0.00 O ATOM 491 CB PRO A 120 7.225 5.960 -6.308 1.00 0.00 C ATOM 492 CG PRO A 120 7.942 4.715 -6.681 1.00 0.00 C ATOM 493 CD PRO A 120 7.299 4.240 -7.952 1.00 0.00 C ATOM 0 HA PRO A 120 5.093 5.460 -6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 120 7.679 6.833 -6.778 1.00 0.00 H new ATOM 0 HB3 PRO A 120 7.255 6.126 -5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 120 9.005 4.905 -6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 120 7.857 3.964 -5.895 1.00 0.00 H new ATOM 0 HD2 PRO A 120 7.774 4.673 -8.832 1.00 0.00 H new ATOM 0 HD3 PRO A 120 7.362 3.157 -8.057 1.00 0.00 H new ATOM 501 N LEU A 121 4.234 7.574 -6.678 1.00 0.00 N ATOM 502 CA LEU A 121 3.649 8.854 -7.034 1.00 0.00 C ATOM 503 C LEU A 121 4.398 9.974 -6.327 1.00 0.00 C ATOM 504 O LEU A 121 4.824 9.816 -5.183 1.00 0.00 O ATOM 505 CB LEU A 121 2.165 8.923 -6.640 1.00 0.00 C ATOM 506 CG LEU A 121 1.177 8.104 -7.485 1.00 0.00 C ATOM 507 CD1 LEU A 121 1.680 7.918 -8.911 1.00 0.00 C ATOM 508 CD2 LEU A 121 0.879 6.767 -6.830 1.00 0.00 C ATOM 0 H LEU A 121 3.799 7.124 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 121 3.728 8.967 -8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.075 8.597 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.854 9.967 -6.674 1.00 0.00 H new ATOM 0 HG LEU A 121 0.245 8.667 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.956 7.334 -9.479 1.00 0.00 H new ATOM 0 HD12 LEU A 121 1.809 8.893 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.635 7.394 -8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.177 6.207 -7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.803 6.199 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 121 0.442 6.934 -5.845 1.00 0.00 H new ATOM 520 N PRO A 122 4.594 11.113 -7.006 1.00 0.00 N ATOM 521 CA PRO A 122 5.175 12.306 -6.390 1.00 0.00 C ATOM 522 C PRO A 122 4.130 13.084 -5.596 1.00 0.00 C ATOM 523 O PRO A 122 4.438 14.072 -4.931 1.00 0.00 O ATOM 524 CB PRO A 122 5.650 13.120 -7.590 1.00 0.00 C ATOM 525 CG PRO A 122 4.710 12.753 -8.688 1.00 0.00 C ATOM 526 CD PRO A 122 4.295 11.323 -8.438 1.00 0.00 C ATOM 0 HA PRO A 122 5.970 12.071 -5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.618 14.189 -7.381 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.680 12.877 -7.852 1.00 0.00 H new ATOM 0 HG2 PRO A 122 3.843 13.413 -8.693 1.00 0.00 H new ATOM 0 HG3 PRO A 122 5.192 12.853 -9.661 1.00 0.00 H new ATOM 0 HD2 PRO A 122 3.237 11.170 -8.652 1.00 0.00 H new ATOM 0 HD3 PRO A 122 4.851 10.629 -9.068 1.00 0.00 H new ATOM 534 N GLU A 123 2.893 12.615 -5.676 1.00 0.00 N ATOM 535 CA GLU A 123 1.763 13.259 -5.030 1.00 0.00 C ATOM 536 C GLU A 123 0.599 12.279 -4.986 1.00 0.00 C ATOM 537 O GLU A 123 0.518 11.375 -5.817 1.00 0.00 O ATOM 538 CB GLU A 123 1.358 14.515 -5.807 1.00 0.00 C ATOM 539 CG GLU A 123 0.788 14.206 -7.180 1.00 0.00 C ATOM 540 CD GLU A 123 0.485 15.447 -7.991 1.00 0.00 C ATOM 541 OE1 GLU A 123 1.400 15.958 -8.668 1.00 0.00 O ATOM 542 OE2 GLU A 123 -0.675 15.908 -7.969 1.00 0.00 O ATOM 0 H GLU A 123 2.646 11.772 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 123 2.038 13.552 -4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.619 15.070 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.228 15.163 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.496 13.585 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.126 13.623 -7.065 1.00 0.00 H new ATOM 549 N ILE A 124 -0.276 12.442 -4.007 1.00 0.00 N ATOM 550 CA ILE A 124 -1.451 11.608 -3.871 1.00 0.00 C ATOM 551 C ILE A 124 -2.335 11.705 -5.110 1.00 0.00 C ATOM 552 O ILE A 124 -2.680 12.801 -5.552 1.00 0.00 O ATOM 553 CB ILE A 124 -2.240 12.033 -2.627 1.00 0.00 C ATOM 554 CG1 ILE A 124 -1.278 12.192 -1.440 1.00 0.00 C ATOM 555 CG2 ILE A 124 -3.344 11.036 -2.326 1.00 0.00 C ATOM 556 CD1 ILE A 124 -0.328 11.027 -1.241 1.00 0.00 C ATOM 0 H ILE A 124 -0.188 13.158 -3.286 1.00 0.00 H new ATOM 0 HA ILE A 124 -1.132 10.571 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 124 -2.719 12.995 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -0.694 13.101 -1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -1.863 12.327 -0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.892 11.356 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.026 10.982 -3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -2.908 10.053 -2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 124 0.314 11.224 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -0.901 10.116 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 124 0.287 10.902 -2.133 1.00 0.00 H new ATOM 568 N PRO A 125 -2.712 10.549 -5.676 1.00 0.00 N ATOM 569 CA PRO A 125 -3.479 10.478 -6.917 1.00 0.00 C ATOM 570 C PRO A 125 -4.878 11.049 -6.767 1.00 0.00 C ATOM 571 O PRO A 125 -5.444 11.057 -5.676 1.00 0.00 O ATOM 572 CB PRO A 125 -3.540 8.977 -7.241 1.00 0.00 C ATOM 573 CG PRO A 125 -2.560 8.326 -6.329 1.00 0.00 C ATOM 574 CD PRO A 125 -2.440 9.217 -5.133 1.00 0.00 C ATOM 0 HA PRO A 125 -3.013 11.068 -7.706 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -4.544 8.583 -7.082 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -3.286 8.791 -8.285 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -2.900 7.331 -6.040 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -1.595 8.203 -6.820 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -3.155 8.946 -4.356 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -1.447 9.160 -4.687 1.00 0.00 H new ATOM 582 N ASN A 126 -5.412 11.562 -7.858 1.00 0.00 N ATOM 583 CA ASN A 126 -6.795 12.000 -7.889 1.00 0.00 C ATOM 584 C ASN A 126 -7.639 10.937 -8.565 1.00 0.00 C ATOM 585 O ASN A 126 -7.131 10.154 -9.372 1.00 0.00 O ATOM 586 CB ASN A 126 -6.935 13.346 -8.603 1.00 0.00 C ATOM 587 CG ASN A 126 -6.582 14.519 -7.705 1.00 0.00 C ATOM 588 OD1 ASN A 126 -7.438 15.058 -7.004 1.00 0.00 O ATOM 589 ND2 ASN A 126 -5.322 14.921 -7.713 1.00 0.00 N ATOM 0 H ASN A 126 -4.909 11.686 -8.736 1.00 0.00 H new ATOM 0 HA ASN A 126 -7.145 12.141 -6.866 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -6.289 13.357 -9.481 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -7.959 13.460 -8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -5.032 15.702 -7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -4.640 14.450 -8.307 1.00 0.00 H new ATOM 596 N GLY A 127 -8.914 10.892 -8.223 1.00 0.00 N ATOM 597 CA GLY A 127 -9.775 9.852 -8.739 1.00 0.00 C ATOM 598 C GLY A 127 -9.739 8.624 -7.856 1.00 0.00 C ATOM 599 O GLY A 127 -9.588 8.739 -6.643 1.00 0.00 O ATOM 0 H GLY A 127 -9.369 11.557 -7.597 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -10.797 10.224 -8.808 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -9.463 9.586 -9.749 1.00 0.00 H new ATOM 603 N GLU A 128 -9.844 7.453 -8.458 1.00 0.00 N ATOM 604 CA GLU A 128 -9.870 6.207 -7.717 1.00 0.00 C ATOM 605 C GLU A 128 -8.506 5.536 -7.776 1.00 0.00 C ATOM 606 O GLU A 128 -8.073 5.086 -8.840 1.00 0.00 O ATOM 607 CB GLU A 128 -10.937 5.282 -8.298 1.00 0.00 C ATOM 608 CG GLU A 128 -11.089 3.974 -7.551 1.00 0.00 C ATOM 609 CD GLU A 128 -12.196 3.114 -8.120 1.00 0.00 C ATOM 610 OE1 GLU A 128 -11.938 2.367 -9.089 1.00 0.00 O ATOM 611 OE2 GLU A 128 -13.337 3.200 -7.620 1.00 0.00 O ATOM 0 H GLU A 128 -9.913 7.340 -9.469 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.112 6.417 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.895 5.803 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.691 5.068 -9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -10.148 3.424 -7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -11.295 4.180 -6.501 1.00 0.00 H new ATOM 618 N TRP A 129 -7.819 5.497 -6.650 1.00 0.00 N ATOM 619 CA TRP A 129 -6.535 4.823 -6.583 1.00 0.00 C ATOM 620 C TRP A 129 -6.700 3.480 -5.904 1.00 0.00 C ATOM 621 O TRP A 129 -7.380 3.368 -4.883 1.00 0.00 O ATOM 622 CB TRP A 129 -5.491 5.664 -5.852 1.00 0.00 C ATOM 623 CG TRP A 129 -4.179 4.968 -5.653 1.00 0.00 C ATOM 624 CD1 TRP A 129 -3.106 4.975 -6.495 1.00 0.00 C ATOM 625 CD2 TRP A 129 -3.804 4.162 -4.533 1.00 0.00 C ATOM 626 NE1 TRP A 129 -2.092 4.212 -5.972 1.00 0.00 N ATOM 627 CE2 TRP A 129 -2.498 3.699 -4.766 1.00 0.00 C ATOM 628 CE3 TRP A 129 -4.453 3.789 -3.357 1.00 0.00 C ATOM 629 CZ2 TRP A 129 -1.830 2.874 -3.861 1.00 0.00 C ATOM 630 CZ3 TRP A 129 -3.791 2.972 -2.464 1.00 0.00 C ATOM 631 CH2 TRP A 129 -2.493 2.521 -2.721 1.00 0.00 C ATOM 0 H TRP A 129 -8.125 5.921 -5.774 1.00 0.00 H new ATOM 0 HA TRP A 129 -6.177 4.675 -7.602 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -5.322 6.583 -6.413 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -5.889 5.953 -4.879 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -3.061 5.504 -7.436 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -1.184 4.052 -6.409 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -5.455 4.133 -3.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -0.826 2.527 -4.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -4.284 2.676 -1.550 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -2.004 1.880 -2.002 1.00 0.00 H new ATOM 642 N LEU A 130 -6.069 2.468 -6.461 1.00 0.00 N ATOM 643 CA LEU A 130 -6.115 1.143 -5.878 1.00 0.00 C ATOM 644 C LEU A 130 -4.726 0.689 -5.482 1.00 0.00 C ATOM 645 O LEU A 130 -3.744 0.981 -6.163 1.00 0.00 O ATOM 646 CB LEU A 130 -6.736 0.127 -6.840 1.00 0.00 C ATOM 647 CG LEU A 130 -8.252 0.227 -7.023 1.00 0.00 C ATOM 648 CD1 LEU A 130 -8.922 0.731 -5.756 1.00 0.00 C ATOM 649 CD2 LEU A 130 -8.610 1.108 -8.208 1.00 0.00 C ATOM 0 H LEU A 130 -5.518 2.537 -7.317 1.00 0.00 H new ATOM 0 HA LEU A 130 -6.743 1.199 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.263 0.241 -7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.497 -0.875 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 130 -8.624 -0.777 -7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -9.999 0.793 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -8.714 0.043 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -8.535 1.719 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -9.694 1.158 -8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.214 2.111 -8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -8.179 0.688 -9.117 1.00 0.00 H new ATOM 661 N CYS A 131 -4.659 -0.015 -4.365 1.00 0.00 N ATOM 662 CA CYS A 131 -3.399 -0.551 -3.875 1.00 0.00 C ATOM 663 C CYS A 131 -2.937 -1.666 -4.817 1.00 0.00 C ATOM 664 O CYS A 131 -3.746 -2.204 -5.572 1.00 0.00 O ATOM 665 CB CYS A 131 -3.574 -1.094 -2.450 1.00 0.00 C ATOM 666 SG CYS A 131 -4.443 -2.672 -2.361 1.00 0.00 S ATOM 0 H CYS A 131 -5.465 -0.230 -3.778 1.00 0.00 H new ATOM 0 HA CYS A 131 -2.648 0.239 -3.849 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -2.591 -1.207 -1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -4.118 -0.359 -1.857 1.00 0.00 H new ATOM 0 HG CYS A 131 -5.377 -2.603 -1.459 1.00 0.00 H new ATOM 671 N PRO A 132 -1.642 -2.039 -4.775 1.00 0.00 N ATOM 672 CA PRO A 132 -1.065 -3.064 -5.670 1.00 0.00 C ATOM 673 C PRO A 132 -1.764 -4.424 -5.578 1.00 0.00 C ATOM 674 O PRO A 132 -1.509 -5.317 -6.385 1.00 0.00 O ATOM 675 CB PRO A 132 0.392 -3.182 -5.201 1.00 0.00 C ATOM 676 CG PRO A 132 0.416 -2.568 -3.844 1.00 0.00 C ATOM 677 CD PRO A 132 -0.626 -1.490 -3.865 1.00 0.00 C ATOM 0 HA PRO A 132 -1.175 -2.772 -6.714 1.00 0.00 H new ATOM 0 HB2 PRO A 132 0.712 -4.223 -5.168 1.00 0.00 H new ATOM 0 HB3 PRO A 132 1.068 -2.662 -5.880 1.00 0.00 H new ATOM 0 HG2 PRO A 132 0.196 -3.309 -3.076 1.00 0.00 H new ATOM 0 HG3 PRO A 132 1.400 -2.157 -3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -1.032 -1.301 -2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -0.224 -0.545 -4.230 1.00 0.00 H new ATOM 685 N ARG A 133 -2.625 -4.581 -4.580 1.00 0.00 N ATOM 686 CA ARG A 133 -3.448 -5.771 -4.450 1.00 0.00 C ATOM 687 C ARG A 133 -4.683 -5.653 -5.337 1.00 0.00 C ATOM 688 O ARG A 133 -5.068 -6.597 -6.024 1.00 0.00 O ATOM 689 CB ARG A 133 -3.888 -5.935 -2.997 1.00 0.00 C ATOM 690 CG ARG A 133 -4.115 -7.373 -2.573 1.00 0.00 C ATOM 691 CD ARG A 133 -2.798 -8.120 -2.513 1.00 0.00 C ATOM 692 NE ARG A 133 -2.329 -8.529 -3.839 1.00 0.00 N ATOM 693 CZ ARG A 133 -1.047 -8.750 -4.139 1.00 0.00 C ATOM 694 NH1 ARG A 133 -0.116 -8.643 -3.199 1.00 0.00 N ATOM 695 NH2 ARG A 133 -0.699 -9.104 -5.370 1.00 0.00 N ATOM 0 H ARG A 133 -2.770 -3.890 -3.844 1.00 0.00 H new ATOM 0 HA ARG A 133 -2.864 -6.638 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -3.132 -5.492 -2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -4.809 -5.373 -2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -4.600 -7.399 -1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -4.787 -7.864 -3.276 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -2.045 -7.487 -2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -2.912 -9.002 -1.882 1.00 0.00 H new ATOM 0 HE ARG A 133 -3.023 -8.652 -4.577 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -0.380 -8.392 -2.246 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.863 -8.812 -3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -1.412 -9.208 -6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 133 0.282 -9.272 -5.594 1.00 0.00 H new ATOM 709 N CYS A 134 -5.283 -4.469 -5.323 1.00 0.00 N ATOM 710 CA CYS A 134 -6.541 -4.222 -6.019 1.00 0.00 C ATOM 711 C CYS A 134 -6.317 -3.802 -7.469 1.00 0.00 C ATOM 712 O CYS A 134 -7.257 -3.792 -8.265 1.00 0.00 O ATOM 713 CB CYS A 134 -7.348 -3.156 -5.278 1.00 0.00 C ATOM 714 SG CYS A 134 -7.829 -3.640 -3.599 1.00 0.00 S ATOM 0 H CYS A 134 -4.913 -3.655 -4.831 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.101 -5.157 -6.033 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.761 -2.239 -5.228 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -8.246 -2.929 -5.852 1.00 0.00 H new ATOM 0 HG CYS A 134 -6.840 -3.421 -2.784 1.00 0.00 H new ATOM 719 N THR A 135 -5.084 -3.438 -7.808 1.00 0.00 N ATOM 720 CA THR A 135 -4.753 -3.062 -9.179 1.00 0.00 C ATOM 721 C THR A 135 -4.885 -4.256 -10.108 1.00 0.00 C ATOM 722 O THR A 135 -5.056 -4.115 -11.320 1.00 0.00 O ATOM 723 CB THR A 135 -3.331 -2.486 -9.275 1.00 0.00 C ATOM 724 OG1 THR A 135 -2.427 -3.301 -8.521 1.00 0.00 O ATOM 725 CG2 THR A 135 -3.282 -1.058 -8.762 1.00 0.00 C ATOM 0 H THR A 135 -4.301 -3.395 -7.156 1.00 0.00 H new ATOM 0 HA THR A 135 -5.459 -2.290 -9.485 1.00 0.00 H new ATOM 0 HB THR A 135 -3.035 -2.482 -10.324 1.00 0.00 H new ATOM 0 HG1 THR A 135 -1.506 -3.107 -8.794 1.00 0.00 H new ATOM 0 HG21 THR A 135 -2.264 -0.677 -8.842 1.00 0.00 H new ATOM 0 HG22 THR A 135 -3.950 -0.435 -9.356 1.00 0.00 H new ATOM 0 HG23 THR A 135 -3.597 -1.035 -7.719 1.00 0.00 H new ATOM 852 N ARG B 145 -7.366 9.254 -1.898 1.00 0.00 N ATOM 853 CA ARG B 145 -7.491 9.582 -0.467 1.00 0.00 C ATOM 854 C ARG B 145 -6.182 9.361 0.301 1.00 0.00 C ATOM 855 O ARG B 145 -5.405 8.466 -0.011 1.00 0.00 O ATOM 856 CB ARG B 145 -8.604 8.729 0.140 1.00 0.00 C ATOM 857 CG ARG B 145 -9.008 9.102 1.554 1.00 0.00 C ATOM 858 CD ARG B 145 -10.107 8.178 2.040 1.00 0.00 C ATOM 859 NE ARG B 145 -10.444 8.371 3.448 1.00 0.00 N ATOM 860 CZ ARG B 145 -11.337 7.620 4.091 1.00 0.00 C ATOM 861 NH1 ARG B 145 -11.912 6.599 3.469 1.00 0.00 N ATOM 862 NH2 ARG B 145 -11.647 7.875 5.353 1.00 0.00 N ATOM 0 HA ARG B 145 -7.732 10.642 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG B 145 -9.483 8.797 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG B 145 -8.285 7.687 0.134 1.00 0.00 H new ATOM 0 HG2 ARG B 145 -8.145 9.035 2.217 1.00 0.00 H new ATOM 0 HG3 ARG B 145 -9.352 10.136 1.582 1.00 0.00 H new ATOM 0 HD2 ARG B 145 -11.000 8.337 1.435 1.00 0.00 H new ATOM 0 HD3 ARG B 145 -9.797 7.144 1.886 1.00 0.00 H new ATOM 0 HE ARG B 145 -9.974 9.115 3.963 1.00 0.00 H new ATOM 0 HH11 ARG B 145 -11.670 6.390 2.500 1.00 0.00 H new ATOM 0 HH12 ARG B 145 -12.596 6.023 3.959 1.00 0.00 H new ATOM 0 HH21 ARG B 145 -11.201 8.652 5.841 1.00 0.00 H new ATOM 0 HH22 ARG B 145 -12.332 7.295 5.837 1.00 0.00 H new ATOM 876 N THR B 146 -5.933 10.175 1.312 1.00 0.00 N ATOM 877 CA THR B 146 -4.736 10.009 2.118 1.00 0.00 C ATOM 878 C THR B 146 -4.984 10.293 3.597 1.00 0.00 C ATOM 879 O THR B 146 -5.669 11.251 3.960 1.00 0.00 O ATOM 880 CB THR B 146 -3.587 10.884 1.594 1.00 0.00 C ATOM 881 OG1 THR B 146 -4.091 11.978 0.812 1.00 0.00 O ATOM 882 CG2 THR B 146 -2.623 10.044 0.777 1.00 0.00 C ATOM 0 H THR B 146 -6.536 10.949 1.592 1.00 0.00 H new ATOM 0 HA THR B 146 -4.449 8.961 2.030 1.00 0.00 H new ATOM 0 HB THR B 146 -3.053 11.300 2.448 1.00 0.00 H new ATOM 0 HG1 THR B 146 -3.577 12.788 1.013 1.00 0.00 H new ATOM 0 HG21 THR B 146 -1.812 10.674 0.410 1.00 0.00 H new ATOM 0 HG22 THR B 146 -2.212 9.251 1.402 1.00 0.00 H new ATOM 0 HG23 THR B 146 -3.151 9.603 -0.069 1.00 0.00 H new ATOM 890 N LYS B 147 -4.425 9.430 4.439 1.00 0.00 N ATOM 891 CA LYS B 147 -4.511 9.570 5.886 1.00 0.00 C ATOM 892 C LYS B 147 -3.308 10.333 6.390 1.00 0.00 C ATOM 893 O LYS B 147 -2.497 10.795 5.601 1.00 0.00 O ATOM 894 CB LYS B 147 -4.520 8.197 6.570 1.00 0.00 C ATOM 895 CG LYS B 147 -5.784 7.388 6.368 1.00 0.00 C ATOM 896 CD LYS B 147 -5.617 5.975 6.897 1.00 0.00 C ATOM 897 CE LYS B 147 -5.040 5.966 8.305 1.00 0.00 C ATOM 898 NZ LYS B 147 -5.900 6.706 9.268 1.00 0.00 N ATOM 0 H LYS B 147 -3.898 8.611 4.135 1.00 0.00 H new ATOM 0 HA LYS B 147 -5.435 10.099 6.119 1.00 0.00 H new ATOM 0 HB2 LYS B 147 -3.674 7.618 6.200 1.00 0.00 H new ATOM 0 HB3 LYS B 147 -4.365 8.340 7.639 1.00 0.00 H new ATOM 0 HG2 LYS B 147 -6.616 7.874 6.877 1.00 0.00 H new ATOM 0 HG3 LYS B 147 -6.034 7.356 5.307 1.00 0.00 H new ATOM 0 HD2 LYS B 147 -6.583 5.470 6.896 1.00 0.00 H new ATOM 0 HD3 LYS B 147 -4.962 5.412 6.232 1.00 0.00 H new ATOM 0 HE2 LYS B 147 -4.923 4.936 8.642 1.00 0.00 H new ATOM 0 HE3 LYS B 147 -4.045 6.412 8.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 147 -5.786 6.300 10.218 1.00 0.00 H new ATOM 0 HZ2 LYS B 147 -5.621 7.708 9.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 147 -6.895 6.629 8.975 1.00 0.00 H new ATOM 912 N GLN B 148 -3.194 10.449 7.699 1.00 0.00 N ATOM 913 CA GLN B 148 -1.973 10.932 8.312 1.00 0.00 C ATOM 914 C GLN B 148 -1.986 10.622 9.794 1.00 0.00 C ATOM 915 O GLN B 148 -2.840 11.100 10.537 1.00 0.00 O ATOM 916 CB GLN B 148 -1.754 12.417 8.051 1.00 0.00 C ATOM 917 CG GLN B 148 -0.414 12.666 7.389 1.00 0.00 C ATOM 918 CD GLN B 148 -0.309 14.008 6.706 1.00 0.00 C ATOM 919 OE1 GLN B 148 -0.934 14.987 7.114 1.00 0.00 O ATOM 920 NE2 GLN B 148 0.491 14.051 5.654 1.00 0.00 N ATOM 0 H GLN B 148 -3.935 10.214 8.360 1.00 0.00 H new ATOM 0 HA GLN B 148 -1.131 10.412 7.854 1.00 0.00 H new ATOM 0 HB2 GLN B 148 -2.553 12.799 7.415 1.00 0.00 H new ATOM 0 HB3 GLN B 148 -1.805 12.966 8.992 1.00 0.00 H new ATOM 0 HG2 GLN B 148 0.371 12.590 8.141 1.00 0.00 H new ATOM 0 HG3 GLN B 148 -0.231 11.881 6.656 1.00 0.00 H new ATOM 0 HE21 GLN B 148 0.987 13.211 5.356 1.00 0.00 H new ATOM 0 HE22 GLN B 148 0.612 14.924 5.141 1.00 0.00 H new ATOM 929 N THR B 149 -1.048 9.789 10.202 1.00 0.00 N ATOM 930 CA THR B 149 -1.010 9.275 11.554 1.00 0.00 C ATOM 931 C THR B 149 0.448 9.205 12.044 1.00 0.00 C ATOM 932 O THR B 149 1.250 10.084 11.722 1.00 0.00 O ATOM 933 CB THR B 149 -1.728 7.897 11.602 1.00 0.00 C ATOM 934 OG1 THR B 149 -1.646 7.296 12.903 1.00 0.00 O ATOM 935 CG2 THR B 149 -1.174 6.951 10.554 1.00 0.00 C ATOM 0 H THR B 149 -0.293 9.451 9.605 1.00 0.00 H new ATOM 0 HA THR B 149 -1.541 9.943 12.232 1.00 0.00 H new ATOM 0 HB THR B 149 -2.779 8.083 11.383 1.00 0.00 H new ATOM 0 HG1 THR B 149 -1.320 6.376 12.818 1.00 0.00 H new ATOM 0 HG21 THR B 149 -1.696 5.996 10.613 1.00 0.00 H new ATOM 0 HG22 THR B 149 -1.317 7.382 9.563 1.00 0.00 H new ATOM 0 HG23 THR B 149 -0.110 6.794 10.732 1.00 0.00 H new ATOM 943 N ALA B 150 0.801 8.185 12.805 1.00 0.00 N ATOM 944 CA ALA B 150 2.141 8.077 13.357 1.00 0.00 C ATOM 945 C ALA B 150 3.142 7.514 12.346 1.00 0.00 C ATOM 946 O ALA B 150 3.424 6.318 12.339 1.00 0.00 O ATOM 947 CB ALA B 150 2.120 7.214 14.606 1.00 0.00 C ATOM 0 H ALA B 150 0.178 7.418 13.056 1.00 0.00 H new ATOM 0 HA ALA B 150 2.470 9.084 13.612 1.00 0.00 H new ATOM 0 HB1 ALA B 150 3.128 7.138 15.013 1.00 0.00 H new ATOM 0 HB2 ALA B 150 1.462 7.665 15.349 1.00 0.00 H new ATOM 0 HB3 ALA B 150 1.755 6.218 14.354 1.00 0.00 H new ATOM 953 N ARG B 151 3.667 8.365 11.472 1.00 0.00 N ATOM 954 CA ARG B 151 4.774 7.958 10.612 1.00 0.00 C ATOM 955 C ARG B 151 6.077 8.102 11.386 1.00 0.00 C ATOM 956 O ARG B 151 6.364 9.154 11.947 1.00 0.00 O ATOM 957 CB ARG B 151 4.842 8.746 9.282 1.00 0.00 C ATOM 958 CG ARG B 151 4.930 10.242 9.444 1.00 0.00 C ATOM 959 CD ARG B 151 3.565 10.835 9.700 1.00 0.00 C ATOM 960 NE ARG B 151 3.577 12.295 9.632 1.00 0.00 N ATOM 961 CZ ARG B 151 2.580 13.074 10.051 1.00 0.00 C ATOM 962 NH1 ARG B 151 1.539 12.552 10.685 1.00 0.00 N ATOM 963 NH2 ARG B 151 2.635 14.380 9.846 1.00 0.00 N ATOM 0 H ARG B 151 3.351 9.326 11.340 1.00 0.00 H new ATOM 0 HA ARG B 151 4.607 6.918 10.331 1.00 0.00 H new ATOM 0 HB2 ARG B 151 5.708 8.403 8.716 1.00 0.00 H new ATOM 0 HB3 ARG B 151 3.959 8.509 8.689 1.00 0.00 H new ATOM 0 HG2 ARG B 151 5.598 10.484 10.271 1.00 0.00 H new ATOM 0 HG3 ARG B 151 5.361 10.685 8.546 1.00 0.00 H new ATOM 0 HD2 ARG B 151 2.858 10.444 8.968 1.00 0.00 H new ATOM 0 HD3 ARG B 151 3.213 10.521 10.683 1.00 0.00 H new ATOM 0 HE ARG B 151 4.402 12.747 9.238 1.00 0.00 H new ATOM 0 HH11 ARG B 151 1.497 11.547 10.855 1.00 0.00 H new ATOM 0 HH12 ARG B 151 0.780 13.155 11.002 1.00 0.00 H new ATOM 0 HH21 ARG B 151 3.439 14.788 9.369 1.00 0.00 H new ATOM 0 HH22 ARG B 151 1.874 14.979 10.165 1.00 0.00 H new