USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 463 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 69 THR OG1 : rot 120:sc= 0.646 USER MOD Set 1.2: A 70 ASN : amide:sc= 0.5 K(o=1.6,f=-0.58!) USER MOD Set 1.3: A 74 CYS SG : rot 125:sc= 0.496 USER MOD Set 2.1: A 65 SER OG : rot -63:sc= -0.614 USER MOD Set 2.2: A 68 GLN : amide:sc= 0.45 K(o=-0.16,f=-4!) USER MOD Set 3.1: A 27 CYS SG : rot -158:sc= -0.588! USER MOD Set 3.2: A 38 HIS : no HE2:sc= -3.75! C(o=-3.2!,f=-10!) USER MOD Set 3.3: A 51 CYS SG : rot -119:sc= 1.54 USER MOD Set 3.4: A 54 CYS SG : rot 59:sc= -0.38! USER MOD Single : A 8 HIS : no HE2:sc= -0.763! C(o=-0.76!,f=-3.9!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0.39) USER MOD Single : A 15 TYR OH : rot 180:sc= -1.59! USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0175) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 140:sc= -0.332 (180deg=-2.05!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -84:sc= 1.11 USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= 1.11 (180deg=0.858) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -50:sc= -0.633 USER MOD Single : A 58 TYR OH : rot 180:sc= -1.91! USER MOD Single : A 60 TYR OH : rot -43:sc= 0.263 USER MOD Single : A 63 SER OG : rot 69:sc= 1.22 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 1:sc= 1.06 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 6 -6.304 -6.919 0.516 1.00 0.00 N ATOM 78 CA ILE A 6 -5.141 -6.189 0.990 1.00 0.00 C ATOM 79 C ILE A 6 -5.302 -4.691 0.767 1.00 0.00 C ATOM 80 O ILE A 6 -5.801 -4.256 -0.276 1.00 0.00 O ATOM 81 CB ILE A 6 -3.845 -6.679 0.307 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.990 -6.645 -1.220 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.498 -8.082 0.787 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.731 -7.047 -1.964 1.00 0.00 C ATOM 0 HA ILE A 6 -5.062 -6.381 2.060 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.031 -6.008 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.802 -7.310 -1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.276 -5.639 -1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.583 -8.417 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.351 -8.071 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.312 -8.763 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.912 -6.998 -3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.920 -6.367 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.455 -8.065 -1.688 1.00 0.00 H new ATOM 96 N PRO A 7 -4.894 -3.886 1.757 1.00 0.00 N ATOM 97 CA PRO A 7 -5.002 -2.428 1.694 1.00 0.00 C ATOM 98 C PRO A 7 -4.198 -1.834 0.543 1.00 0.00 C ATOM 99 O PRO A 7 -2.985 -2.010 0.453 1.00 0.00 O ATOM 100 CB PRO A 7 -4.444 -1.955 3.042 1.00 0.00 C ATOM 101 CG PRO A 7 -3.635 -3.096 3.553 1.00 0.00 C ATOM 102 CD PRO A 7 -4.292 -4.337 3.023 1.00 0.00 C ATOM 0 HA PRO A 7 -6.029 -2.110 1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.832 -1.061 2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.248 -1.701 3.733 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.602 -3.025 3.213 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.612 -3.101 4.643 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.570 -5.138 2.863 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.044 -4.720 3.713 1.00 0.00 H new ATOM 110 N HIS A 8 -4.895 -1.145 -0.343 1.00 0.00 N ATOM 111 CA HIS A 8 -4.264 -0.467 -1.465 1.00 0.00 C ATOM 112 C HIS A 8 -4.771 0.965 -1.539 1.00 0.00 C ATOM 113 O HIS A 8 -5.980 1.208 -1.591 1.00 0.00 O ATOM 114 CB HIS A 8 -4.508 -1.223 -2.784 1.00 0.00 C ATOM 115 CG HIS A 8 -5.931 -1.649 -3.008 1.00 0.00 C ATOM 116 ND1 HIS A 8 -6.459 -2.803 -2.472 1.00 0.00 N ATOM 117 CD2 HIS A 8 -6.932 -1.075 -3.710 1.00 0.00 C ATOM 118 CE1 HIS A 8 -7.719 -2.919 -2.838 1.00 0.00 C ATOM 119 NE2 HIS A 8 -8.036 -1.883 -3.587 1.00 0.00 N ATOM 0 H HIS A 8 -5.909 -1.039 -0.307 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.185 -0.449 -1.309 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -4.198 -0.588 -3.614 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.871 -2.107 -2.804 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -5.953 -3.465 -1.883 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.875 -0.151 -4.266 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -8.381 -3.728 -2.569 1.00 0.00 H new ATOM 128 N PHE A 9 -3.847 1.910 -1.514 1.00 0.00 N ATOM 129 CA PHE A 9 -4.196 3.316 -1.401 1.00 0.00 C ATOM 130 C PHE A 9 -3.868 4.066 -2.688 1.00 0.00 C ATOM 131 O PHE A 9 -3.376 3.476 -3.650 1.00 0.00 O ATOM 132 CB PHE A 9 -3.464 3.938 -0.208 1.00 0.00 C ATOM 133 CG PHE A 9 -3.630 3.149 1.063 1.00 0.00 C ATOM 134 CD1 PHE A 9 -4.880 2.996 1.642 1.00 0.00 C ATOM 135 CD2 PHE A 9 -2.539 2.549 1.670 1.00 0.00 C ATOM 136 CE1 PHE A 9 -5.039 2.264 2.802 1.00 0.00 C ATOM 137 CE2 PHE A 9 -2.692 1.812 2.830 1.00 0.00 C ATOM 138 CZ PHE A 9 -3.943 1.670 3.396 1.00 0.00 C ATOM 0 H PHE A 9 -2.845 1.728 -1.571 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.271 3.396 -1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.403 4.019 -0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.834 4.951 -0.051 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.741 3.455 1.180 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.558 2.658 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.019 2.156 3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.834 1.348 3.293 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.064 1.095 4.302 1.00 0.00 H new ATOM 148 N GLN A 10 -4.136 5.365 -2.694 1.00 0.00 N ATOM 149 CA GLN A 10 -3.961 6.180 -3.888 1.00 0.00 C ATOM 150 C GLN A 10 -2.962 7.307 -3.648 1.00 0.00 C ATOM 151 O GLN A 10 -2.701 7.687 -2.507 1.00 0.00 O ATOM 152 CB GLN A 10 -5.301 6.778 -4.329 1.00 0.00 C ATOM 153 CG GLN A 10 -6.040 7.512 -3.217 1.00 0.00 C ATOM 154 CD GLN A 10 -7.179 8.370 -3.733 1.00 0.00 C ATOM 155 OE1 GLN A 10 -8.303 7.905 -3.897 1.00 0.00 O ATOM 156 NE2 GLN A 10 -6.903 9.642 -3.959 1.00 0.00 N ATOM 0 H GLN A 10 -4.477 5.878 -1.881 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.574 5.531 -4.674 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.127 7.468 -5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.937 5.979 -4.710 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.433 6.785 -2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.335 8.141 -2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.957 9.993 -3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.636 10.274 -4.281 1.00 0.00 H new ATOM 210 N GLY A 14 0.932 12.460 -5.439 1.00 0.00 N ATOM 211 CA GLY A 14 2.146 11.684 -5.278 1.00 0.00 C ATOM 212 C GLY A 14 2.884 12.063 -4.012 1.00 0.00 C ATOM 213 O GLY A 14 3.522 13.116 -3.946 1.00 0.00 O ATOM 0 HA2 GLY A 14 1.900 10.623 -5.253 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.795 11.840 -6.139 1.00 0.00 H new ATOM 217 N TYR A 15 2.788 11.217 -3.000 1.00 0.00 N ATOM 218 CA TYR A 15 3.382 11.505 -1.705 1.00 0.00 C ATOM 219 C TYR A 15 4.739 10.829 -1.595 1.00 0.00 C ATOM 220 O TYR A 15 4.884 9.656 -1.936 1.00 0.00 O ATOM 221 CB TYR A 15 2.451 11.035 -0.585 1.00 0.00 C ATOM 222 CG TYR A 15 1.026 11.509 -0.770 1.00 0.00 C ATOM 223 CD1 TYR A 15 0.613 12.742 -0.285 1.00 0.00 C ATOM 224 CD2 TYR A 15 0.102 10.730 -1.458 1.00 0.00 C ATOM 225 CE1 TYR A 15 -0.682 13.183 -0.478 1.00 0.00 C ATOM 226 CE2 TYR A 15 -1.188 11.167 -1.660 1.00 0.00 C ATOM 227 CZ TYR A 15 -1.576 12.393 -1.169 1.00 0.00 C ATOM 228 OH TYR A 15 -2.857 12.837 -1.383 1.00 0.00 O ATOM 0 H TYR A 15 2.302 10.322 -3.051 1.00 0.00 H new ATOM 0 HA TYR A 15 3.523 12.581 -1.607 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.464 9.946 -0.541 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.828 11.397 0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.314 13.365 0.251 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.401 9.765 -1.841 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.992 14.142 -0.090 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.892 10.551 -2.201 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.358 12.161 -1.886 1.00 0.00 H new ATOM 238 N LYS A 16 5.730 11.572 -1.122 1.00 0.00 N ATOM 239 CA LYS A 16 7.098 11.073 -1.082 1.00 0.00 C ATOM 240 C LYS A 16 7.354 10.253 0.174 1.00 0.00 C ATOM 241 O LYS A 16 8.293 9.455 0.223 1.00 0.00 O ATOM 242 CB LYS A 16 8.109 12.219 -1.204 1.00 0.00 C ATOM 243 CG LYS A 16 8.349 12.672 -2.640 1.00 0.00 C ATOM 244 CD LYS A 16 7.098 13.267 -3.272 1.00 0.00 C ATOM 245 CE LYS A 16 7.247 13.423 -4.778 1.00 0.00 C ATOM 246 NZ LYS A 16 8.381 14.314 -5.143 1.00 0.00 N ATOM 0 H LYS A 16 5.613 12.519 -0.762 1.00 0.00 H new ATOM 0 HA LYS A 16 7.231 10.414 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.756 13.068 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.057 11.904 -0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.149 13.412 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.686 11.824 -3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.242 12.628 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.891 14.239 -2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.398 12.443 -5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.323 13.826 -5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.372 14.485 -6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.287 15.219 -4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.278 13.861 -4.876 1.00 0.00 H new ATOM 260 N ILE A 17 6.525 10.444 1.185 1.00 0.00 N ATOM 261 CA ILE A 17 6.571 9.603 2.369 1.00 0.00 C ATOM 262 C ILE A 17 5.162 9.194 2.764 1.00 0.00 C ATOM 263 O ILE A 17 4.364 10.029 3.195 1.00 0.00 O ATOM 264 CB ILE A 17 7.250 10.314 3.568 1.00 0.00 C ATOM 265 CG1 ILE A 17 8.708 10.653 3.237 1.00 0.00 C ATOM 266 CG2 ILE A 17 7.175 9.446 4.819 1.00 0.00 C ATOM 267 CD1 ILE A 17 9.442 11.354 4.360 1.00 0.00 C ATOM 0 H ILE A 17 5.812 11.173 1.210 1.00 0.00 H new ATOM 0 HA ILE A 17 7.167 8.725 2.119 1.00 0.00 H new ATOM 0 HB ILE A 17 6.715 11.244 3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.238 9.733 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.732 11.285 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.657 9.962 5.649 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.131 9.255 5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.684 8.499 4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.467 11.561 4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.937 12.291 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.451 10.715 5.243 1.00 0.00 H new ATOM 279 N ILE A 18 4.845 7.920 2.596 1.00 0.00 N ATOM 280 CA ILE A 18 3.542 7.420 3.036 1.00 0.00 C ATOM 281 C ILE A 18 3.679 6.457 4.211 1.00 0.00 C ATOM 282 O ILE A 18 4.288 5.394 4.108 1.00 0.00 O ATOM 283 CB ILE A 18 2.740 6.756 1.891 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.273 7.826 0.896 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.548 5.976 2.441 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.313 7.312 -0.158 1.00 0.00 C ATOM 0 H ILE A 18 5.454 7.222 2.168 1.00 0.00 H new ATOM 0 HA ILE A 18 2.980 8.294 3.365 1.00 0.00 H new ATOM 0 HB ILE A 18 3.390 6.050 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.792 8.634 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.145 8.252 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.001 5.519 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.903 5.198 3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.888 6.654 2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.030 8.129 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.796 6.524 -0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.422 6.913 0.326 1.00 0.00 H new ATOM 298 N GLU A 19 3.104 6.849 5.332 1.00 0.00 N ATOM 299 CA GLU A 19 3.130 6.045 6.539 1.00 0.00 C ATOM 300 C GLU A 19 1.905 5.144 6.584 1.00 0.00 C ATOM 301 O GLU A 19 0.815 5.563 6.206 1.00 0.00 O ATOM 302 CB GLU A 19 3.155 6.964 7.755 1.00 0.00 C ATOM 303 CG GLU A 19 4.238 8.025 7.673 1.00 0.00 C ATOM 304 CD GLU A 19 4.114 9.075 8.752 1.00 0.00 C ATOM 305 OE1 GLU A 19 3.223 9.943 8.643 1.00 0.00 O ATOM 306 OE2 GLU A 19 4.920 9.053 9.702 1.00 0.00 O ATOM 0 H GLU A 19 2.606 7.733 5.432 1.00 0.00 H new ATOM 0 HA GLU A 19 4.023 5.420 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.185 7.450 7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.307 6.365 8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.215 7.547 7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.194 8.507 6.697 1.00 0.00 H new ATOM 313 N ILE A 20 2.087 3.910 7.024 1.00 0.00 N ATOM 314 CA ILE A 20 0.991 2.953 7.101 1.00 0.00 C ATOM 315 C ILE A 20 1.168 2.046 8.311 1.00 0.00 C ATOM 316 O ILE A 20 2.265 1.935 8.858 1.00 0.00 O ATOM 317 CB ILE A 20 0.895 2.074 5.829 1.00 0.00 C ATOM 318 CG1 ILE A 20 2.265 1.472 5.489 1.00 0.00 C ATOM 319 CG2 ILE A 20 0.346 2.873 4.652 1.00 0.00 C ATOM 320 CD1 ILE A 20 2.249 0.570 4.272 1.00 0.00 C ATOM 0 H ILE A 20 2.987 3.544 7.335 1.00 0.00 H new ATOM 0 HA ILE A 20 0.071 3.531 7.191 1.00 0.00 H new ATOM 0 HB ILE A 20 0.201 1.258 6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.976 2.281 5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.625 0.904 6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.289 2.232 3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.650 3.243 4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.006 3.716 4.445 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.252 0.182 4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.564 -0.260 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.920 1.138 3.402 1.00 0.00 H new ATOM 332 N GLY A 21 0.088 1.409 8.728 1.00 0.00 N ATOM 333 CA GLY A 21 0.172 0.447 9.806 1.00 0.00 C ATOM 334 C GLY A 21 0.199 -0.973 9.285 1.00 0.00 C ATOM 335 O GLY A 21 -0.149 -1.912 9.997 1.00 0.00 O ATOM 0 H GLY A 21 -0.846 1.540 8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.070 0.636 10.394 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.680 0.574 10.475 1.00 0.00 H new ATOM 339 N VAL A 22 0.609 -1.127 8.032 1.00 0.00 N ATOM 340 CA VAL A 22 0.648 -2.432 7.389 1.00 0.00 C ATOM 341 C VAL A 22 2.082 -2.777 6.996 1.00 0.00 C ATOM 342 O VAL A 22 2.831 -1.912 6.544 1.00 0.00 O ATOM 343 CB VAL A 22 -0.251 -2.467 6.132 1.00 0.00 C ATOM 344 CG1 VAL A 22 -0.423 -3.891 5.628 1.00 0.00 C ATOM 345 CG2 VAL A 22 -1.604 -1.836 6.414 1.00 0.00 C ATOM 0 H VAL A 22 0.921 -0.358 7.439 1.00 0.00 H new ATOM 0 HA VAL A 22 0.273 -3.166 8.102 1.00 0.00 H new ATOM 0 HB VAL A 22 0.242 -1.885 5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.059 -3.889 4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.552 -4.307 5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.885 -4.499 6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.218 -1.873 5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.101 -2.384 7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.465 -0.798 6.716 1.00 0.00 H new ATOM 355 N LYS A 23 2.462 -4.036 7.172 1.00 0.00 N ATOM 356 CA LYS A 23 3.836 -4.462 6.929 1.00 0.00 C ATOM 357 C LYS A 23 3.991 -5.018 5.511 1.00 0.00 C ATOM 358 O LYS A 23 5.101 -5.109 4.980 1.00 0.00 O ATOM 359 CB LYS A 23 4.235 -5.510 7.973 1.00 0.00 C ATOM 360 CG LYS A 23 5.715 -5.863 7.977 1.00 0.00 C ATOM 361 CD LYS A 23 6.084 -6.674 9.211 1.00 0.00 C ATOM 362 CE LYS A 23 5.819 -5.886 10.489 1.00 0.00 C ATOM 363 NZ LYS A 23 6.146 -6.667 11.710 1.00 0.00 N ATOM 0 H LYS A 23 1.838 -4.781 7.482 1.00 0.00 H new ATOM 0 HA LYS A 23 4.498 -3.601 7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.959 -5.143 8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.658 -6.418 7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.959 -6.431 7.079 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.309 -4.950 7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.509 -7.600 9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.137 -6.953 9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.409 -4.970 10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.771 -5.589 10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.950 -6.091 12.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.565 -7.529 11.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.153 -6.928 11.696 1.00 0.00 H new ATOM 377 N GLU A 24 2.872 -5.391 4.907 1.00 0.00 N ATOM 378 CA GLU A 24 2.865 -5.886 3.537 1.00 0.00 C ATOM 379 C GLU A 24 2.051 -4.952 2.648 1.00 0.00 C ATOM 380 O GLU A 24 0.832 -4.867 2.784 1.00 0.00 O ATOM 381 CB GLU A 24 2.274 -7.296 3.482 1.00 0.00 C ATOM 382 CG GLU A 24 3.015 -8.308 4.339 1.00 0.00 C ATOM 383 CD GLU A 24 2.363 -9.672 4.314 1.00 0.00 C ATOM 384 OE1 GLU A 24 2.708 -10.487 3.433 1.00 0.00 O ATOM 385 OE2 GLU A 24 1.494 -9.940 5.173 1.00 0.00 O ATOM 0 H GLU A 24 1.952 -5.360 5.347 1.00 0.00 H new ATOM 0 HA GLU A 24 3.893 -5.920 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.233 -7.256 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.276 -7.640 2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.043 -8.393 3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.058 -7.948 5.367 1.00 0.00 H new ATOM 392 N PHE A 25 2.721 -4.251 1.744 1.00 0.00 N ATOM 393 CA PHE A 25 2.041 -3.294 0.883 1.00 0.00 C ATOM 394 C PHE A 25 2.586 -3.353 -0.540 1.00 0.00 C ATOM 395 O PHE A 25 3.773 -3.587 -0.754 1.00 0.00 O ATOM 396 CB PHE A 25 2.187 -1.877 1.449 1.00 0.00 C ATOM 397 CG PHE A 25 1.455 -0.826 0.661 1.00 0.00 C ATOM 398 CD1 PHE A 25 0.074 -0.731 0.727 1.00 0.00 C ATOM 399 CD2 PHE A 25 2.146 0.058 -0.151 1.00 0.00 C ATOM 400 CE1 PHE A 25 -0.602 0.231 0.001 1.00 0.00 C ATOM 401 CE2 PHE A 25 1.475 1.021 -0.880 1.00 0.00 C ATOM 402 CZ PHE A 25 0.099 1.107 -0.805 1.00 0.00 C ATOM 0 H PHE A 25 3.726 -4.326 1.588 1.00 0.00 H new ATOM 0 HA PHE A 25 0.984 -3.557 0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.821 -1.867 2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.245 -1.618 1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.480 -1.416 1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.222 -0.006 -0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.678 0.298 0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.026 1.706 -1.508 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.428 1.858 -1.375 1.00 0.00 H new ATOM 412 N MET A 26 1.707 -3.150 -1.509 1.00 0.00 N ATOM 413 CA MET A 26 2.103 -3.109 -2.908 1.00 0.00 C ATOM 414 C MET A 26 1.740 -1.750 -3.487 1.00 0.00 C ATOM 415 O MET A 26 0.598 -1.307 -3.357 1.00 0.00 O ATOM 416 CB MET A 26 1.410 -4.231 -3.688 1.00 0.00 C ATOM 417 CG MET A 26 1.955 -4.430 -5.092 1.00 0.00 C ATOM 418 SD MET A 26 1.341 -5.941 -5.862 1.00 0.00 S ATOM 419 CE MET A 26 2.472 -6.098 -7.241 1.00 0.00 C ATOM 0 H MET A 26 0.709 -3.010 -1.351 1.00 0.00 H new ATOM 0 HA MET A 26 3.180 -3.258 -2.989 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.513 -5.164 -3.133 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.344 -4.013 -3.750 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.682 -3.574 -5.709 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.044 -4.461 -5.055 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.743 -7.146 -7.372 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.992 -5.731 -8.148 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.370 -5.513 -7.043 1.00 0.00 H new ATOM 429 N CYS A 27 2.704 -1.075 -4.105 1.00 0.00 N ATOM 430 CA CYS A 27 2.461 0.270 -4.605 1.00 0.00 C ATOM 431 C CYS A 27 1.660 0.247 -5.902 1.00 0.00 C ATOM 432 O CYS A 27 2.223 0.219 -6.995 1.00 0.00 O ATOM 433 CB CYS A 27 3.771 1.055 -4.774 1.00 0.00 C ATOM 434 SG CYS A 27 5.083 0.197 -5.686 1.00 0.00 S ATOM 0 H CYS A 27 3.646 -1.431 -4.269 1.00 0.00 H new ATOM 0 HA CYS A 27 1.862 0.789 -3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.550 1.992 -5.286 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.149 1.314 -3.785 1.00 0.00 H new ATOM 0 HG CYS A 27 6.235 0.716 -5.380 1.00 0.00 H new ATOM 439 N VAL A 28 0.338 0.234 -5.740 1.00 0.00 N ATOM 440 CA VAL A 28 -0.613 0.263 -6.848 1.00 0.00 C ATOM 441 C VAL A 28 -0.596 -1.042 -7.643 1.00 0.00 C ATOM 442 O VAL A 28 0.248 -1.255 -8.516 1.00 0.00 O ATOM 443 CB VAL A 28 -0.387 1.467 -7.795 1.00 0.00 C ATOM 444 CG1 VAL A 28 -1.401 1.460 -8.931 1.00 0.00 C ATOM 445 CG2 VAL A 28 -0.472 2.777 -7.023 1.00 0.00 C ATOM 0 H VAL A 28 -0.108 0.203 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.597 0.380 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 28 0.611 1.377 -8.224 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.223 2.315 -9.583 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.299 0.539 -9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.409 1.521 -8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.311 3.612 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.458 2.867 -6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.291 2.791 -6.245 1.00 0.00 H new ATOM 581 N HIS A 38 2.954 -1.810 -10.328 1.00 0.00 N ATOM 582 CA HIS A 38 4.272 -1.746 -9.729 1.00 0.00 C ATOM 583 C HIS A 38 4.498 -2.951 -8.833 1.00 0.00 C ATOM 584 O HIS A 38 3.742 -3.914 -8.890 1.00 0.00 O ATOM 585 CB HIS A 38 4.530 -0.439 -8.977 1.00 0.00 C ATOM 586 CG HIS A 38 5.924 0.045 -9.228 1.00 0.00 C ATOM 587 ND1 HIS A 38 6.856 0.291 -8.226 1.00 0.00 N ATOM 588 CD2 HIS A 38 6.571 0.242 -10.401 1.00 0.00 C ATOM 589 CE1 HIS A 38 8.013 0.606 -8.798 1.00 0.00 C ATOM 590 NE2 HIS A 38 7.861 0.582 -10.103 1.00 0.00 N ATOM 0 HA HIS A 38 4.995 -1.766 -10.545 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.813 0.318 -9.295 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.379 -0.592 -7.908 1.00 0.00 H new ATOM 0 HD1 HIS A 38 6.681 0.239 -7.222 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.146 0.148 -11.390 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.928 0.843 -8.276 1.00 0.00 H new ATOM 598 N ILE A 39 5.540 -2.896 -8.022 1.00 0.00 N ATOM 599 CA ILE A 39 6.021 -4.066 -7.307 1.00 0.00 C ATOM 600 C ILE A 39 5.488 -4.123 -5.873 1.00 0.00 C ATOM 601 O ILE A 39 5.188 -3.091 -5.266 1.00 0.00 O ATOM 602 CB ILE A 39 7.566 -4.070 -7.302 1.00 0.00 C ATOM 603 CG1 ILE A 39 8.110 -5.383 -6.742 1.00 0.00 C ATOM 604 CG2 ILE A 39 8.105 -2.883 -6.511 1.00 0.00 C ATOM 605 CD1 ILE A 39 9.612 -5.491 -6.841 1.00 0.00 C ATOM 0 H ILE A 39 6.074 -2.046 -7.841 1.00 0.00 H new ATOM 0 HA ILE A 39 5.650 -4.951 -7.825 1.00 0.00 H new ATOM 0 HB ILE A 39 7.906 -3.978 -8.334 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.813 -5.476 -5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.656 -6.216 -7.278 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.195 -2.905 -6.520 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.757 -1.955 -6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.749 -2.940 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.936 -6.446 -6.427 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.913 -5.428 -7.887 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.073 -4.677 -6.281 1.00 0.00 H new ATOM 617 N PHE A 40 5.356 -5.338 -5.352 1.00 0.00 N ATOM 618 CA PHE A 40 4.940 -5.550 -3.975 1.00 0.00 C ATOM 619 C PHE A 40 6.138 -5.430 -3.045 1.00 0.00 C ATOM 620 O PHE A 40 7.234 -5.896 -3.366 1.00 0.00 O ATOM 621 CB PHE A 40 4.261 -6.919 -3.812 1.00 0.00 C ATOM 622 CG PHE A 40 5.094 -8.087 -4.269 1.00 0.00 C ATOM 623 CD1 PHE A 40 5.119 -8.457 -5.605 1.00 0.00 C ATOM 624 CD2 PHE A 40 5.844 -8.820 -3.362 1.00 0.00 C ATOM 625 CE1 PHE A 40 5.876 -9.533 -6.027 1.00 0.00 C ATOM 626 CE2 PHE A 40 6.603 -9.896 -3.778 1.00 0.00 C ATOM 627 CZ PHE A 40 6.620 -10.253 -5.113 1.00 0.00 C ATOM 0 H PHE A 40 5.534 -6.198 -5.871 1.00 0.00 H new ATOM 0 HA PHE A 40 4.212 -4.783 -3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.004 -7.061 -2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.325 -6.915 -4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.540 -7.897 -6.324 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.834 -8.546 -2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.886 -9.811 -7.071 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.183 -10.458 -3.061 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.214 -11.093 -5.441 1.00 0.00 H new ATOM 637 N ILE A 41 5.936 -4.795 -1.905 1.00 0.00 N ATOM 638 CA ILE A 41 7.021 -4.546 -0.978 1.00 0.00 C ATOM 639 C ILE A 41 6.722 -5.131 0.393 1.00 0.00 C ATOM 640 O ILE A 41 5.790 -4.710 1.079 1.00 0.00 O ATOM 641 CB ILE A 41 7.300 -3.038 -0.837 1.00 0.00 C ATOM 642 CG1 ILE A 41 7.617 -2.434 -2.207 1.00 0.00 C ATOM 643 CG2 ILE A 41 8.448 -2.792 0.134 1.00 0.00 C ATOM 644 CD1 ILE A 41 7.809 -0.939 -2.176 1.00 0.00 C ATOM 0 H ILE A 41 5.029 -4.442 -1.600 1.00 0.00 H new ATOM 0 HA ILE A 41 7.905 -5.035 -1.387 1.00 0.00 H new ATOM 0 HB ILE A 41 6.409 -2.554 -0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.520 -2.900 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.808 -2.674 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.629 -1.721 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.189 -3.195 1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.348 -3.284 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.031 -0.580 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.898 -0.463 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.637 -0.692 -1.512 1.00 0.00 H new ATOM 656 N ASP A 42 7.511 -6.118 0.772 1.00 0.00 N ATOM 657 CA ASP A 42 7.435 -6.686 2.103 1.00 0.00 C ATOM 658 C ASP A 42 8.456 -6.004 3.001 1.00 0.00 C ATOM 659 O ASP A 42 9.627 -5.869 2.629 1.00 0.00 O ATOM 660 CB ASP A 42 7.692 -8.193 2.050 1.00 0.00 C ATOM 661 CG ASP A 42 7.699 -8.835 3.421 1.00 0.00 C ATOM 662 OD1 ASP A 42 6.629 -8.906 4.055 1.00 0.00 O ATOM 663 OD2 ASP A 42 8.773 -9.300 3.856 1.00 0.00 O ATOM 0 H ASP A 42 8.216 -6.545 0.172 1.00 0.00 H new ATOM 0 HA ASP A 42 6.437 -6.524 2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.926 -8.666 1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.650 -8.377 1.563 1.00 0.00 H new ATOM 668 N MET A 43 8.014 -5.535 4.157 1.00 0.00 N ATOM 669 CA MET A 43 8.911 -4.859 5.084 1.00 0.00 C ATOM 670 C MET A 43 9.773 -5.863 5.830 1.00 0.00 C ATOM 671 O MET A 43 10.967 -5.632 6.040 1.00 0.00 O ATOM 672 CB MET A 43 8.134 -4.008 6.086 1.00 0.00 C ATOM 673 CG MET A 43 7.410 -2.828 5.466 1.00 0.00 C ATOM 674 SD MET A 43 6.588 -1.810 6.703 1.00 0.00 S ATOM 675 CE MET A 43 5.823 -0.567 5.667 1.00 0.00 C ATOM 0 H MET A 43 7.048 -5.608 4.475 1.00 0.00 H new ATOM 0 HA MET A 43 9.554 -4.204 4.495 1.00 0.00 H new ATOM 0 HB2 MET A 43 7.407 -4.640 6.596 1.00 0.00 H new ATOM 0 HB3 MET A 43 8.824 -3.639 6.845 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.122 -2.218 4.910 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.674 -3.191 4.749 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.275 0.139 6.291 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.593 -0.036 5.108 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.135 -1.047 4.971 1.00 0.00 H new ATOM 685 N GLY A 44 9.172 -6.981 6.218 1.00 0.00 N ATOM 686 CA GLY A 44 9.884 -7.981 6.992 1.00 0.00 C ATOM 687 C GLY A 44 10.324 -7.448 8.340 1.00 0.00 C ATOM 688 O GLY A 44 9.495 -7.164 9.204 1.00 0.00 O ATOM 0 H GLY A 44 8.201 -7.214 6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.243 -8.851 7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.757 -8.318 6.433 1.00 0.00 H new ATOM 692 N SER A 45 11.626 -7.293 8.519 1.00 0.00 N ATOM 693 CA SER A 45 12.162 -6.763 9.759 1.00 0.00 C ATOM 694 C SER A 45 12.762 -5.376 9.538 1.00 0.00 C ATOM 695 O SER A 45 13.981 -5.212 9.489 1.00 0.00 O ATOM 696 CB SER A 45 13.210 -7.721 10.332 1.00 0.00 C ATOM 697 OG SER A 45 12.674 -9.028 10.480 1.00 0.00 O ATOM 0 H SER A 45 12.331 -7.527 7.820 1.00 0.00 H new ATOM 0 HA SER A 45 11.348 -6.668 10.478 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.079 -7.752 9.674 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.555 -7.353 11.298 1.00 0.00 H new ATOM 0 HG SER A 45 13.361 -9.624 10.846 1.00 0.00 H new ATOM 703 N THR A 46 11.891 -4.386 9.367 1.00 0.00 N ATOM 704 CA THR A 46 12.315 -3.004 9.178 1.00 0.00 C ATOM 705 C THR A 46 11.358 -2.049 9.886 1.00 0.00 C ATOM 706 O THR A 46 10.257 -2.440 10.285 1.00 0.00 O ATOM 707 CB THR A 46 12.388 -2.629 7.681 1.00 0.00 C ATOM 708 OG1 THR A 46 11.216 -3.096 7.002 1.00 0.00 O ATOM 709 CG2 THR A 46 13.631 -3.207 7.021 1.00 0.00 C ATOM 0 H THR A 46 10.880 -4.518 9.356 1.00 0.00 H new ATOM 0 HA THR A 46 13.312 -2.913 9.608 1.00 0.00 H new ATOM 0 HB THR A 46 12.443 -1.543 7.611 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.334 -4.037 6.755 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.650 -2.923 5.969 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.520 -2.819 7.517 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.615 -4.294 7.104 1.00 0.00 H new ATOM 717 N ASP A 47 11.786 -0.805 10.055 1.00 0.00 N ATOM 718 CA ASP A 47 10.943 0.223 10.660 1.00 0.00 C ATOM 719 C ASP A 47 10.256 1.029 9.572 1.00 0.00 C ATOM 720 O ASP A 47 9.078 1.368 9.671 1.00 0.00 O ATOM 721 CB ASP A 47 11.774 1.164 11.540 1.00 0.00 C ATOM 722 CG ASP A 47 12.584 0.429 12.583 1.00 0.00 C ATOM 723 OD1 ASP A 47 12.012 0.034 13.617 1.00 0.00 O ATOM 724 OD2 ASP A 47 13.804 0.241 12.368 1.00 0.00 O ATOM 0 H ASP A 47 12.714 -0.481 9.782 1.00 0.00 H new ATOM 0 HA ASP A 47 10.197 -0.270 11.283 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.446 1.746 10.909 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.109 1.872 12.035 1.00 0.00 H new ATOM 729 N GLU A 48 11.013 1.337 8.536 1.00 0.00 N ATOM 730 CA GLU A 48 10.503 2.077 7.399 1.00 0.00 C ATOM 731 C GLU A 48 11.244 1.652 6.139 1.00 0.00 C ATOM 732 O GLU A 48 12.462 1.460 6.157 1.00 0.00 O ATOM 733 CB GLU A 48 10.628 3.586 7.641 1.00 0.00 C ATOM 734 CG GLU A 48 11.972 4.016 8.209 1.00 0.00 C ATOM 735 CD GLU A 48 11.981 5.467 8.650 1.00 0.00 C ATOM 736 OE1 GLU A 48 11.131 5.843 9.486 1.00 0.00 O ATOM 737 OE2 GLU A 48 12.851 6.233 8.183 1.00 0.00 O ATOM 0 H GLU A 48 11.997 1.081 8.460 1.00 0.00 H new ATOM 0 HA GLU A 48 9.444 1.853 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.460 4.109 6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.840 3.900 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.224 3.380 9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.746 3.864 7.457 1.00 0.00 H new ATOM 744 N LYS A 49 10.505 1.478 5.059 1.00 0.00 N ATOM 745 CA LYS A 49 11.076 0.986 3.817 1.00 0.00 C ATOM 746 C LYS A 49 10.459 1.725 2.636 1.00 0.00 C ATOM 747 O LYS A 49 9.248 1.908 2.576 1.00 0.00 O ATOM 748 CB LYS A 49 10.832 -0.524 3.709 1.00 0.00 C ATOM 749 CG LYS A 49 11.532 -1.193 2.540 1.00 0.00 C ATOM 750 CD LYS A 49 11.424 -2.706 2.638 1.00 0.00 C ATOM 751 CE LYS A 49 12.103 -3.396 1.469 1.00 0.00 C ATOM 752 NZ LYS A 49 12.108 -4.874 1.630 1.00 0.00 N ATOM 0 H LYS A 49 9.504 1.671 5.016 1.00 0.00 H new ATOM 0 HA LYS A 49 12.151 1.167 3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.161 -0.999 4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.760 -0.701 3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.091 -0.853 1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.582 -0.899 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.875 -3.043 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.373 -2.994 2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.591 -3.133 0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.128 -3.036 1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.291 -5.323 0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.852 -5.147 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.184 -5.187 1.990 1.00 0.00 H new ATOM 766 N ILE A 50 11.292 2.165 1.707 1.00 0.00 N ATOM 767 CA ILE A 50 10.819 2.964 0.587 1.00 0.00 C ATOM 768 C ILE A 50 10.857 2.159 -0.712 1.00 0.00 C ATOM 769 O ILE A 50 11.591 1.179 -0.831 1.00 0.00 O ATOM 770 CB ILE A 50 11.661 4.258 0.430 1.00 0.00 C ATOM 771 CG1 ILE A 50 10.995 5.224 -0.559 1.00 0.00 C ATOM 772 CG2 ILE A 50 13.078 3.929 -0.024 1.00 0.00 C ATOM 773 CD1 ILE A 50 11.735 6.535 -0.728 1.00 0.00 C ATOM 0 H ILE A 50 12.296 1.984 1.705 1.00 0.00 H new ATOM 0 HA ILE A 50 9.787 3.244 0.796 1.00 0.00 H new ATOM 0 HB ILE A 50 11.715 4.745 1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.914 4.736 -1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.980 5.432 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.650 4.851 -0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.557 3.286 0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.042 3.415 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.203 7.164 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 50 11.793 7.046 0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.742 6.340 -1.097 1.00 0.00 H new ATOM 785 N CYS A 51 10.041 2.573 -1.670 1.00 0.00 N ATOM 786 CA CYS A 51 10.077 2.006 -3.006 1.00 0.00 C ATOM 787 C CYS A 51 10.975 2.878 -3.875 1.00 0.00 C ATOM 788 O CYS A 51 10.624 4.023 -4.166 1.00 0.00 O ATOM 789 CB CYS A 51 8.656 1.958 -3.592 1.00 0.00 C ATOM 790 SG CYS A 51 8.509 1.150 -5.213 1.00 0.00 S ATOM 0 H CYS A 51 9.342 3.305 -1.543 1.00 0.00 H new ATOM 0 HA CYS A 51 10.469 0.990 -2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.007 1.439 -2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.282 2.978 -3.678 1.00 0.00 H new ATOM 0 HG CYS A 51 8.056 2.003 -6.083 1.00 0.00 H new ATOM 795 N PRO A 52 12.161 2.357 -4.263 1.00 0.00 N ATOM 796 CA PRO A 52 13.131 3.104 -5.079 1.00 0.00 C ATOM 797 C PRO A 52 12.469 3.754 -6.282 1.00 0.00 C ATOM 798 O PRO A 52 12.717 4.915 -6.598 1.00 0.00 O ATOM 799 CB PRO A 52 14.119 2.026 -5.525 1.00 0.00 C ATOM 800 CG PRO A 52 14.066 1.001 -4.446 1.00 0.00 C ATOM 801 CD PRO A 52 12.649 1.004 -3.934 1.00 0.00 C ATOM 0 HA PRO A 52 13.598 3.921 -4.529 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.836 1.603 -6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.124 2.432 -5.638 1.00 0.00 H new ATOM 0 HG2 PRO A 52 14.340 0.018 -4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 52 14.769 1.239 -3.648 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.048 0.233 -4.416 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.610 0.814 -2.861 1.00 0.00 H new ATOM 809 N TYR A 53 11.608 2.994 -6.938 1.00 0.00 N ATOM 810 CA TYR A 53 10.804 3.520 -8.020 1.00 0.00 C ATOM 811 C TYR A 53 9.420 3.873 -7.491 1.00 0.00 C ATOM 812 O TYR A 53 8.524 3.026 -7.480 1.00 0.00 O ATOM 813 CB TYR A 53 10.699 2.501 -9.158 1.00 0.00 C ATOM 814 CG TYR A 53 12.038 2.027 -9.668 1.00 0.00 C ATOM 815 CD1 TYR A 53 12.836 2.860 -10.439 1.00 0.00 C ATOM 816 CD2 TYR A 53 12.513 0.752 -9.367 1.00 0.00 C ATOM 817 CE1 TYR A 53 14.067 2.441 -10.900 1.00 0.00 C ATOM 818 CE2 TYR A 53 13.747 0.329 -9.823 1.00 0.00 C ATOM 819 CZ TYR A 53 14.519 1.178 -10.590 1.00 0.00 C ATOM 820 OH TYR A 53 15.749 0.764 -11.046 1.00 0.00 O ATOM 0 H TYR A 53 11.450 2.007 -6.736 1.00 0.00 H new ATOM 0 HA TYR A 53 11.279 4.418 -8.416 1.00 0.00 H new ATOM 0 HB2 TYR A 53 10.126 1.641 -8.813 1.00 0.00 H new ATOM 0 HB3 TYR A 53 10.142 2.945 -9.983 1.00 0.00 H new ATOM 0 HD1 TYR A 53 12.488 3.853 -10.682 1.00 0.00 H new ATOM 0 HD2 TYR A 53 11.909 0.086 -8.769 1.00 0.00 H new ATOM 0 HE1 TYR A 53 14.674 3.101 -11.502 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.105 -0.661 -9.581 1.00 0.00 H new ATOM 0 HH TYR A 53 15.920 -0.151 -10.740 1.00 0.00 H new ATOM 830 N CYS A 54 9.296 5.102 -6.989 1.00 0.00 N ATOM 831 CA CYS A 54 8.047 5.647 -6.438 1.00 0.00 C ATOM 832 C CYS A 54 8.338 6.914 -5.645 1.00 0.00 C ATOM 833 O CYS A 54 7.736 7.959 -5.893 1.00 0.00 O ATOM 834 CB CYS A 54 7.319 4.664 -5.503 1.00 0.00 C ATOM 835 SG CYS A 54 6.104 3.581 -6.308 1.00 0.00 S ATOM 0 H CYS A 54 10.073 5.762 -6.952 1.00 0.00 H new ATOM 0 HA CYS A 54 7.402 5.848 -7.293 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.064 4.041 -5.007 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.812 5.236 -4.725 1.00 0.00 H new ATOM 0 HG CYS A 54 6.691 2.883 -7.234 1.00 0.00 H new ATOM 840 N SER A 55 9.282 6.806 -4.702 1.00 0.00 N ATOM 841 CA SER A 55 9.506 7.846 -3.703 1.00 0.00 C ATOM 842 C SER A 55 8.227 8.032 -2.888 1.00 0.00 C ATOM 843 O SER A 55 7.398 8.892 -3.186 1.00 0.00 O ATOM 844 CB SER A 55 9.949 9.163 -4.355 1.00 0.00 C ATOM 845 OG SER A 55 11.119 8.974 -5.137 1.00 0.00 O ATOM 0 H SER A 55 9.904 6.002 -4.614 1.00 0.00 H new ATOM 0 HA SER A 55 10.314 7.538 -3.040 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.146 9.551 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.139 9.909 -3.584 1.00 0.00 H new ATOM 0 HG SER A 55 11.382 9.826 -5.544 1.00 0.00 H new ATOM 851 N THR A 56 8.073 7.187 -1.872 1.00 0.00 N ATOM 852 CA THR A 56 6.842 7.029 -1.136 1.00 0.00 C ATOM 853 C THR A 56 7.190 6.231 0.110 1.00 0.00 C ATOM 854 O THR A 56 6.722 5.114 0.290 1.00 0.00 O ATOM 855 CB THR A 56 5.780 6.254 -1.959 1.00 0.00 C ATOM 856 OG1 THR A 56 5.703 6.762 -3.297 1.00 0.00 O ATOM 857 CG2 THR A 56 4.409 6.353 -1.319 1.00 0.00 C ATOM 0 H THR A 56 8.824 6.583 -1.537 1.00 0.00 H new ATOM 0 HA THR A 56 6.418 8.005 -0.900 1.00 0.00 H new ATOM 0 HB THR A 56 6.090 5.209 -1.981 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.610 7.737 -3.272 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.687 5.800 -1.919 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.445 5.931 -0.315 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.108 7.399 -1.263 1.00 0.00 H new ATOM 865 N LEU A 57 8.081 6.794 0.921 1.00 0.00 N ATOM 866 CA LEU A 57 8.678 6.080 2.046 1.00 0.00 C ATOM 867 C LEU A 57 7.598 5.479 2.932 1.00 0.00 C ATOM 868 O LEU A 57 6.891 6.198 3.632 1.00 0.00 O ATOM 869 CB LEU A 57 9.571 7.028 2.856 1.00 0.00 C ATOM 870 CG LEU A 57 10.816 6.395 3.493 1.00 0.00 C ATOM 871 CD1 LEU A 57 11.649 7.455 4.194 1.00 0.00 C ATOM 872 CD2 LEU A 57 10.437 5.292 4.470 1.00 0.00 C ATOM 0 H LEU A 57 8.409 7.754 0.818 1.00 0.00 H new ATOM 0 HA LEU A 57 9.291 5.267 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.893 7.839 2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.969 7.475 3.647 1.00 0.00 H new ATOM 0 HG LEU A 57 11.409 5.949 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.528 6.990 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.964 8.207 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.053 7.929 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.341 4.864 4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.815 5.706 5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.884 4.514 3.944 1.00 0.00 H new ATOM 884 N TYR A 58 7.474 4.160 2.877 1.00 0.00 N ATOM 885 CA TYR A 58 6.450 3.458 3.628 1.00 0.00 C ATOM 886 C TYR A 58 6.935 3.216 5.045 1.00 0.00 C ATOM 887 O TYR A 58 7.759 2.333 5.292 1.00 0.00 O ATOM 888 CB TYR A 58 6.100 2.128 2.950 1.00 0.00 C ATOM 889 CG TYR A 58 5.846 2.262 1.465 1.00 0.00 C ATOM 890 CD1 TYR A 58 4.633 2.739 0.982 1.00 0.00 C ATOM 891 CD2 TYR A 58 6.833 1.930 0.545 1.00 0.00 C ATOM 892 CE1 TYR A 58 4.414 2.877 -0.375 1.00 0.00 C ATOM 893 CE2 TYR A 58 6.621 2.073 -0.811 1.00 0.00 C ATOM 894 CZ TYR A 58 5.412 2.545 -1.266 1.00 0.00 C ATOM 895 OH TYR A 58 5.205 2.697 -2.619 1.00 0.00 O ATOM 0 H TYR A 58 8.074 3.555 2.317 1.00 0.00 H new ATOM 0 HA TYR A 58 5.550 4.072 3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.914 1.421 3.110 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.215 1.707 3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.851 3.005 1.677 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.782 1.554 0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.465 3.244 -0.736 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.401 1.815 -1.512 1.00 0.00 H new ATOM 0 HH TYR A 58 6.008 2.418 -3.106 1.00 0.00 H new ATOM 905 N ARG A 59 6.456 4.029 5.968 1.00 0.00 N ATOM 906 CA ARG A 59 6.867 3.906 7.354 1.00 0.00 C ATOM 907 C ARG A 59 5.889 3.030 8.110 1.00 0.00 C ATOM 908 O ARG A 59 4.684 3.288 8.101 1.00 0.00 O ATOM 909 CB ARG A 59 6.947 5.274 8.039 1.00 0.00 C ATOM 910 CG ARG A 59 7.822 5.260 9.285 1.00 0.00 C ATOM 911 CD ARG A 59 7.364 6.257 10.341 1.00 0.00 C ATOM 912 NE ARG A 59 7.182 7.613 9.820 1.00 0.00 N ATOM 913 CZ ARG A 59 8.172 8.463 9.548 1.00 0.00 C ATOM 914 NH1 ARG A 59 9.442 8.075 9.592 1.00 0.00 N ATOM 915 NH2 ARG A 59 7.880 9.710 9.204 1.00 0.00 N ATOM 0 H ARG A 59 5.787 4.777 5.785 1.00 0.00 H new ATOM 0 HA ARG A 59 7.859 3.454 7.364 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.339 6.006 7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.942 5.599 8.310 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.820 4.258 9.713 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.851 5.484 9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.424 5.912 10.772 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.095 6.281 11.149 1.00 0.00 H new ATOM 0 HE ARG A 59 6.227 7.931 9.653 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.673 7.112 9.837 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.186 8.740 9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.906 10.009 9.150 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.629 10.370 8.994 1.00 0.00 H new ATOM 929 N TYR A 60 6.402 1.993 8.750 1.00 0.00 N ATOM 930 CA TYR A 60 5.591 1.162 9.619 1.00 0.00 C ATOM 931 C TYR A 60 5.474 1.858 10.966 1.00 0.00 C ATOM 932 O TYR A 60 6.336 1.711 11.834 1.00 0.00 O ATOM 933 CB TYR A 60 6.215 -0.226 9.771 1.00 0.00 C ATOM 934 CG TYR A 60 5.330 -1.233 10.470 1.00 0.00 C ATOM 935 CD1 TYR A 60 4.219 -1.766 9.830 1.00 0.00 C ATOM 936 CD2 TYR A 60 5.610 -1.655 11.762 1.00 0.00 C ATOM 937 CE1 TYR A 60 3.412 -2.693 10.460 1.00 0.00 C ATOM 938 CE2 TYR A 60 4.810 -2.585 12.397 1.00 0.00 C ATOM 939 CZ TYR A 60 3.712 -3.101 11.741 1.00 0.00 C ATOM 940 OH TYR A 60 2.915 -4.032 12.366 1.00 0.00 O ATOM 0 H TYR A 60 7.379 1.707 8.683 1.00 0.00 H new ATOM 0 HA TYR A 60 4.599 1.025 9.189 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.469 -0.608 8.782 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.148 -0.133 10.326 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.982 -1.451 8.824 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.467 -1.250 12.279 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.549 -3.096 9.950 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.043 -2.906 13.401 1.00 0.00 H new ATOM 0 HH TYR A 60 1.973 -3.822 12.197 1.00 0.00 H new ATOM 950 N ASP A 61 4.432 2.655 11.110 1.00 0.00 N ATOM 951 CA ASP A 61 4.303 3.531 12.262 1.00 0.00 C ATOM 952 C ASP A 61 3.478 2.879 13.365 1.00 0.00 C ATOM 953 O ASP A 61 2.332 2.485 13.150 1.00 0.00 O ATOM 954 CB ASP A 61 3.676 4.859 11.839 1.00 0.00 C ATOM 955 CG ASP A 61 3.614 5.849 12.978 1.00 0.00 C ATOM 956 OD1 ASP A 61 2.610 5.853 13.709 1.00 0.00 O ATOM 957 OD2 ASP A 61 4.578 6.623 13.154 1.00 0.00 O ATOM 0 H ASP A 61 3.662 2.715 10.444 1.00 0.00 H new ATOM 0 HA ASP A 61 5.300 3.718 12.662 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.253 5.287 11.019 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.670 4.680 11.461 1.00 0.00 H new ATOM 962 N PRO A 62 4.064 2.756 14.567 1.00 0.00 N ATOM 963 CA PRO A 62 3.416 2.102 15.707 1.00 0.00 C ATOM 964 C PRO A 62 2.317 2.948 16.351 1.00 0.00 C ATOM 965 O PRO A 62 1.517 2.436 17.136 1.00 0.00 O ATOM 966 CB PRO A 62 4.568 1.882 16.686 1.00 0.00 C ATOM 967 CG PRO A 62 5.547 2.960 16.374 1.00 0.00 C ATOM 968 CD PRO A 62 5.421 3.232 14.900 1.00 0.00 C ATOM 0 HA PRO A 62 2.906 1.188 15.404 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.226 1.946 17.719 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.013 0.895 16.558 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.335 3.858 16.954 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.561 2.649 16.627 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.538 4.293 14.678 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.182 2.701 14.329 1.00 0.00 H new ATOM 976 N SER A 63 2.275 4.235 16.031 1.00 0.00 N ATOM 977 CA SER A 63 1.231 5.107 16.551 1.00 0.00 C ATOM 978 C SER A 63 0.015 5.089 15.629 1.00 0.00 C ATOM 979 O SER A 63 -1.069 5.546 15.999 1.00 0.00 O ATOM 980 CB SER A 63 1.755 6.534 16.752 1.00 0.00 C ATOM 981 OG SER A 63 2.971 6.747 16.051 1.00 0.00 O ATOM 0 H SER A 63 2.947 4.696 15.418 1.00 0.00 H new ATOM 0 HA SER A 63 0.923 4.731 17.527 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.007 7.249 16.409 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.910 6.719 17.815 1.00 0.00 H new ATOM 0 HG SER A 63 2.799 6.737 15.086 1.00 0.00 H new ATOM 987 N LEU A 64 0.204 4.562 14.427 1.00 0.00 N ATOM 988 CA LEU A 64 -0.902 4.327 13.512 1.00 0.00 C ATOM 989 C LEU A 64 -1.547 2.980 13.822 1.00 0.00 C ATOM 990 O LEU A 64 -1.323 2.405 14.890 1.00 0.00 O ATOM 991 CB LEU A 64 -0.421 4.356 12.055 1.00 0.00 C ATOM 992 CG LEU A 64 0.149 5.692 11.573 1.00 0.00 C ATOM 993 CD1 LEU A 64 0.579 5.587 10.121 1.00 0.00 C ATOM 994 CD2 LEU A 64 -0.869 6.810 11.743 1.00 0.00 C ATOM 0 H LEU A 64 1.117 4.289 14.063 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.637 5.121 13.644 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.343 3.589 11.928 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.256 4.084 11.410 1.00 0.00 H new ATOM 0 HG LEU A 64 1.021 5.930 12.182 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.983 6.544 9.791 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.345 4.817 10.023 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.281 5.324 9.505 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.440 7.749 11.393 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.762 6.580 11.162 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.135 6.903 12.796 1.00 0.00 H new ATOM 1006 N SER A 65 -2.346 2.475 12.899 1.00 0.00 N ATOM 1007 CA SER A 65 -3.012 1.201 13.093 1.00 0.00 C ATOM 1008 C SER A 65 -3.016 0.388 11.801 1.00 0.00 C ATOM 1009 O SER A 65 -2.768 0.925 10.722 1.00 0.00 O ATOM 1010 CB SER A 65 -4.433 1.433 13.609 1.00 0.00 C ATOM 1011 OG SER A 65 -5.107 2.416 12.849 1.00 0.00 O ATOM 0 H SER A 65 -2.549 2.928 12.008 1.00 0.00 H new ATOM 0 HA SER A 65 -2.464 0.624 13.838 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.991 0.498 13.573 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.396 1.742 14.654 1.00 0.00 H new ATOM 0 HG SER A 65 -4.645 3.275 12.942 1.00 0.00 H new ATOM 1017 N TYR A 66 -3.303 -0.906 11.919 1.00 0.00 N ATOM 1018 CA TYR A 66 -3.237 -1.828 10.784 1.00 0.00 C ATOM 1019 C TYR A 66 -4.255 -1.478 9.704 1.00 0.00 C ATOM 1020 O TYR A 66 -4.074 -1.813 8.536 1.00 0.00 O ATOM 1021 CB TYR A 66 -3.460 -3.266 11.257 1.00 0.00 C ATOM 1022 CG TYR A 66 -2.411 -3.754 12.232 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -1.232 -4.330 11.779 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -2.599 -3.636 13.603 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -0.271 -4.777 12.664 1.00 0.00 C ATOM 1026 CE2 TYR A 66 -1.641 -4.079 14.495 1.00 0.00 C ATOM 1027 CZ TYR A 66 -0.480 -4.649 14.020 1.00 0.00 C ATOM 1028 OH TYR A 66 0.476 -5.092 14.909 1.00 0.00 O ATOM 0 H TYR A 66 -3.586 -1.344 12.796 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.242 -1.735 10.348 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.441 -3.337 11.727 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.473 -3.927 10.390 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.064 -4.430 10.717 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.509 -3.191 13.978 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.640 -5.225 12.295 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.801 -3.979 15.558 1.00 0.00 H new ATOM 0 HH TYR A 66 0.172 -4.926 15.826 1.00 0.00 H new ATOM 1038 N ASN A 67 -5.322 -0.799 10.092 1.00 0.00 N ATOM 1039 CA ASN A 67 -6.368 -0.422 9.148 1.00 0.00 C ATOM 1040 C ASN A 67 -6.237 1.046 8.777 1.00 0.00 C ATOM 1041 O ASN A 67 -7.169 1.654 8.247 1.00 0.00 O ATOM 1042 CB ASN A 67 -7.751 -0.688 9.748 1.00 0.00 C ATOM 1043 CG ASN A 67 -7.956 -2.145 10.114 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -8.379 -2.951 9.287 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -7.668 -2.489 11.362 1.00 0.00 N ATOM 0 H ASN A 67 -5.489 -0.497 11.052 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.255 -1.026 8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.882 -0.072 10.637 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.517 -0.385 9.034 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.795 -3.454 11.667 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.319 -1.789 12.016 1.00 0.00 H new ATOM 1052 N GLN A 68 -5.063 1.605 9.032 1.00 0.00 N ATOM 1053 CA GLN A 68 -4.840 3.028 8.863 1.00 0.00 C ATOM 1054 C GLN A 68 -3.656 3.294 7.938 1.00 0.00 C ATOM 1055 O GLN A 68 -2.657 2.570 7.956 1.00 0.00 O ATOM 1056 CB GLN A 68 -4.610 3.661 10.234 1.00 0.00 C ATOM 1057 CG GLN A 68 -4.456 5.167 10.224 1.00 0.00 C ATOM 1058 CD GLN A 68 -4.384 5.744 11.624 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -3.927 5.084 12.556 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -4.840 6.976 11.781 1.00 0.00 N ATOM 0 H GLN A 68 -4.247 1.088 9.359 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.719 3.475 8.399 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -5.446 3.400 10.883 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.715 3.222 10.675 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.553 5.435 9.676 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.296 5.613 9.692 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.211 7.488 10.981 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.821 7.413 12.702 1.00 0.00 H new ATOM 1069 N THR A 69 -3.791 4.329 7.125 1.00 0.00 N ATOM 1070 CA THR A 69 -2.744 4.739 6.205 1.00 0.00 C ATOM 1071 C THR A 69 -2.123 6.060 6.691 1.00 0.00 C ATOM 1072 O THR A 69 -1.978 6.265 7.896 1.00 0.00 O ATOM 1073 CB THR A 69 -3.321 4.874 4.773 1.00 0.00 C ATOM 1074 OG1 THR A 69 -2.295 5.228 3.836 1.00 0.00 O ATOM 1075 CG2 THR A 69 -4.445 5.900 4.726 1.00 0.00 C ATOM 0 H THR A 69 -4.630 4.908 7.085 1.00 0.00 H new ATOM 0 HA THR A 69 -1.959 3.983 6.176 1.00 0.00 H new ATOM 0 HB THR A 69 -3.729 3.902 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.228 4.534 3.147 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.829 5.972 3.709 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.248 5.591 5.396 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.064 6.872 5.040 1.00 0.00 H new ATOM 1083 N ASN A 70 -1.788 6.957 5.773 1.00 0.00 N ATOM 1084 CA ASN A 70 -1.142 8.210 6.135 1.00 0.00 C ATOM 1085 C ASN A 70 -2.166 9.340 6.154 1.00 0.00 C ATOM 1086 O ASN A 70 -3.213 9.254 5.503 1.00 0.00 O ATOM 1087 CB ASN A 70 -0.002 8.543 5.156 1.00 0.00 C ATOM 1088 CG ASN A 70 -0.481 8.909 3.757 1.00 0.00 C ATOM 1089 OD1 ASN A 70 -1.500 8.414 3.277 1.00 0.00 O ATOM 1090 ND2 ASN A 70 0.256 9.785 3.090 1.00 0.00 N ATOM 0 H ASN A 70 -1.953 6.840 4.773 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.714 8.100 7.131 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.580 9.372 5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.668 7.686 5.088 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.016 10.068 2.149 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.095 10.176 3.518 1.00 0.00 H new ATOM 1097 N PRO A 71 -1.891 10.407 6.918 1.00 0.00 N ATOM 1098 CA PRO A 71 -2.839 11.505 7.097 1.00 0.00 C ATOM 1099 C PRO A 71 -3.033 12.310 5.818 1.00 0.00 C ATOM 1100 O PRO A 71 -2.165 13.089 5.434 1.00 0.00 O ATOM 1101 CB PRO A 71 -2.191 12.380 8.184 1.00 0.00 C ATOM 1102 CG PRO A 71 -1.080 11.561 8.755 1.00 0.00 C ATOM 1103 CD PRO A 71 -0.645 10.629 7.663 1.00 0.00 C ATOM 0 HA PRO A 71 -3.831 11.141 7.366 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.814 13.312 7.763 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.915 12.648 8.954 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.254 12.195 9.077 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.416 11.005 9.631 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.129 11.072 7.036 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.239 9.699 8.061 1.00 0.00 H new ATOM 1111 N THR A 72 -4.198 12.123 5.202 1.00 0.00 N ATOM 1112 CA THR A 72 -4.593 12.788 3.955 1.00 0.00 C ATOM 1113 C THR A 72 -5.972 12.277 3.542 1.00 0.00 C ATOM 1114 O THR A 72 -6.905 13.049 3.327 1.00 0.00 O ATOM 1115 CB THR A 72 -3.619 12.527 2.768 1.00 0.00 C ATOM 1116 OG1 THR A 72 -2.354 13.169 2.970 1.00 0.00 O ATOM 1117 CG2 THR A 72 -4.219 13.024 1.460 1.00 0.00 C ATOM 0 H THR A 72 -4.913 11.491 5.562 1.00 0.00 H new ATOM 0 HA THR A 72 -4.584 13.859 4.160 1.00 0.00 H new ATOM 0 HB THR A 72 -3.463 11.449 2.718 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.355 13.629 3.835 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.522 12.832 0.644 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.156 12.501 1.268 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.409 14.095 1.531 1.00 0.00 H new ATOM 1125 N GLY A 73 -6.083 10.958 3.460 1.00 0.00 N ATOM 1126 CA GLY A 73 -7.295 10.336 2.972 1.00 0.00 C ATOM 1127 C GLY A 73 -7.024 9.506 1.733 1.00 0.00 C ATOM 1128 O GLY A 73 -7.765 9.569 0.751 1.00 0.00 O ATOM 0 H GLY A 73 -5.347 10.304 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.721 9.704 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.035 11.104 2.744 1.00 0.00 H new ATOM 1132 N CYS A 74 -5.949 8.735 1.780 1.00 0.00 N ATOM 1133 CA CYS A 74 -5.527 7.938 0.642 1.00 0.00 C ATOM 1134 C CYS A 74 -6.119 6.538 0.721 1.00 0.00 C ATOM 1135 O CYS A 74 -5.886 5.820 1.689 1.00 0.00 O ATOM 1136 CB CYS A 74 -4.000 7.848 0.609 1.00 0.00 C ATOM 1137 SG CYS A 74 -3.161 9.421 0.903 1.00 0.00 S ATOM 0 H CYS A 74 -5.350 8.645 2.601 1.00 0.00 H new ATOM 0 HA CYS A 74 -5.883 8.419 -0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.673 7.128 1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.691 7.459 -0.361 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.331 9.291 1.895 1.00 0.00 H new ATOM 1143 N LEU A 75 -6.899 6.163 -0.285 1.00 0.00 N ATOM 1144 CA LEU A 75 -7.459 4.822 -0.364 1.00 0.00 C ATOM 1145 C LEU A 75 -8.032 4.573 -1.751 1.00 0.00 C ATOM 1146 O LEU A 75 -8.715 5.428 -2.310 1.00 0.00 O ATOM 1147 CB LEU A 75 -8.529 4.611 0.723 1.00 0.00 C ATOM 1148 CG LEU A 75 -9.673 5.633 0.747 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -10.858 5.151 -0.078 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -10.097 5.918 2.179 1.00 0.00 C ATOM 0 H LEU A 75 -7.158 6.773 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.661 4.101 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.958 3.617 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.038 4.622 1.696 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.310 6.559 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.653 5.896 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.546 5.003 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.225 4.209 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.909 6.645 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.436 4.995 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.250 6.319 2.736 1.00 0.00 H new ATOM 1162 N TYR A 76 -7.726 3.419 -2.320 1.00 0.00 N ATOM 1163 CA TYR A 76 -8.255 3.059 -3.623 1.00 0.00 C ATOM 1164 C TYR A 76 -9.400 2.067 -3.451 1.00 0.00 C ATOM 1165 O TYR A 76 -9.179 0.864 -3.339 1.00 0.00 O ATOM 1166 CB TYR A 76 -7.153 2.465 -4.516 1.00 0.00 C ATOM 1167 CG TYR A 76 -7.581 2.219 -5.951 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -8.228 1.044 -6.315 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -7.341 3.167 -6.938 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -8.622 0.820 -7.619 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -7.734 2.950 -8.246 1.00 0.00 C ATOM 1172 CZ TYR A 76 -8.374 1.774 -8.581 1.00 0.00 C ATOM 1173 OH TYR A 76 -8.770 1.555 -9.882 1.00 0.00 O ATOM 0 H TYR A 76 -7.116 2.718 -1.901 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.631 3.957 -4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.297 3.139 -4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.818 1.523 -4.082 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.426 0.293 -5.565 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.840 4.088 -6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.123 -0.100 -7.884 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.541 3.697 -9.002 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.521 2.326 -10.434 1.00 0.00 H new ATOM 1183 N ASN A 77 -10.618 2.582 -3.383 1.00 0.00 N ATOM 1184 CA ASN A 77 -11.796 1.733 -3.255 1.00 0.00 C ATOM 1185 C ASN A 77 -12.910 2.223 -4.166 1.00 0.00 C ATOM 1186 O ASN A 77 -13.478 3.297 -3.946 1.00 0.00 O ATOM 1187 CB ASN A 77 -12.302 1.680 -1.807 1.00 0.00 C ATOM 1188 CG ASN A 77 -11.423 0.838 -0.901 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -11.569 -0.384 -0.835 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -10.519 1.486 -0.178 1.00 0.00 N ATOM 0 H ASN A 77 -10.818 3.582 -3.414 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.502 0.726 -3.552 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.357 2.694 -1.410 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.315 1.278 -1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.913 0.972 0.462 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.430 2.499 -0.262 1.00 0.00 H new