USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 558 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 36 LYS NZ :NH3+ -106:sc= 0.4 (180deg=-0.367) USER MOD Set 1.2: A 43 CYS SG : rot 32:sc= 0.423 USER MOD Single : A 4 MET CE :methyl -108:sc= -0.275 (180deg=-2.14!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0599 X(o=-0.06,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -10.8! C(o=-11!,f=-11!) USER MOD Single : A 18 THR OG1 : rot 140:sc= -1.52! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00475 USER MOD Single : A 28 CYS SG : rot -130:sc= -5.39! USER MOD Single : A 35 CYS SG : rot 82:sc= -7.95! USER MOD Single : A 44 HIS : no HE2:sc= -1.03 K(o=-1,f=-8.5!) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.156 USER MOD Single : A 52 SER OG : rot -173:sc= 0.067 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 177:sc= -9.3! (180deg=-9.53!) USER MOD Single : A 67 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.457 X(o=-0.46,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.523 K(o=-0.52,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.714 -1.671 -11.323 1.00 0.00 N ATOM 77 CA MET A 4 -2.717 -2.455 -10.605 1.00 0.00 C ATOM 78 C MET A 4 -3.179 -2.738 -9.181 1.00 0.00 C ATOM 79 O MET A 4 -4.279 -2.352 -8.789 1.00 0.00 O ATOM 80 CB MET A 4 -1.371 -1.727 -10.587 1.00 0.00 C ATOM 81 CG MET A 4 -0.726 -1.604 -11.957 1.00 0.00 C ATOM 82 SD MET A 4 0.081 -3.129 -12.484 1.00 0.00 S ATOM 83 CE MET A 4 0.020 -2.946 -14.265 1.00 0.00 C ATOM 0 HA MET A 4 -2.593 -3.405 -11.126 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.513 -0.730 -10.171 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.690 -2.257 -9.921 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.485 -1.328 -12.688 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.007 -0.797 -11.938 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.712 -3.641 -14.677 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.267 -1.925 -14.516 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.002 -3.161 -14.687 1.00 0.00 H new ATOM 93 N PHE A 5 -2.335 -3.418 -8.413 1.00 0.00 N ATOM 94 CA PHE A 5 -2.668 -3.756 -7.036 1.00 0.00 C ATOM 95 C PHE A 5 -1.438 -3.695 -6.140 1.00 0.00 C ATOM 96 O PHE A 5 -0.306 -3.820 -6.605 1.00 0.00 O ATOM 97 CB PHE A 5 -3.286 -5.154 -6.971 1.00 0.00 C ATOM 98 CG PHE A 5 -2.363 -6.235 -7.454 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.921 -6.250 -8.767 1.00 0.00 C ATOM 100 CD2 PHE A 5 -1.933 -7.234 -6.595 1.00 0.00 C ATOM 101 CE1 PHE A 5 -1.069 -7.241 -9.215 1.00 0.00 C ATOM 102 CE2 PHE A 5 -1.081 -8.229 -7.038 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.649 -8.231 -8.350 1.00 0.00 C ATOM 0 H PHE A 5 -1.419 -3.745 -8.720 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.390 -3.023 -6.677 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.577 -5.367 -5.943 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.197 -5.169 -7.570 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.246 -5.478 -9.448 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.267 -7.235 -5.568 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.732 -7.241 -10.241 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.754 -9.003 -6.360 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.017 -9.007 -8.699 1.00 0.00 H new ATOM 113 N LEU A 6 -1.676 -3.499 -4.850 1.00 0.00 N ATOM 114 CA LEU A 6 -0.602 -3.415 -3.871 1.00 0.00 C ATOM 115 C LEU A 6 -0.826 -4.402 -2.731 1.00 0.00 C ATOM 116 O LEU A 6 -1.954 -4.594 -2.280 1.00 0.00 O ATOM 117 CB LEU A 6 -0.527 -2.003 -3.307 1.00 0.00 C ATOM 118 CG LEU A 6 -1.826 -1.500 -2.689 1.00 0.00 C ATOM 119 CD1 LEU A 6 -1.881 -1.857 -1.214 1.00 0.00 C ATOM 120 CD2 LEU A 6 -1.972 0.002 -2.895 1.00 0.00 C ATOM 0 H LEU A 6 -2.611 -3.395 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 6 0.334 -3.664 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.258 -1.968 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.231 -1.322 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.662 -1.989 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.814 -1.491 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.829 -2.940 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.039 -1.396 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.906 0.342 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.135 0.517 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.980 0.224 -3.962 1.00 0.00 H new ATOM 132 N THR A 7 0.255 -5.016 -2.263 1.00 0.00 N ATOM 133 CA THR A 7 0.170 -5.974 -1.166 1.00 0.00 C ATOM 134 C THR A 7 0.513 -5.314 0.163 1.00 0.00 C ATOM 135 O THR A 7 1.666 -4.963 0.414 1.00 0.00 O ATOM 136 CB THR A 7 1.099 -7.163 -1.403 1.00 0.00 C ATOM 137 OG1 THR A 7 0.823 -7.778 -2.648 1.00 0.00 O ATOM 138 CG2 THR A 7 0.980 -8.220 -0.326 1.00 0.00 C ATOM 0 H THR A 7 1.197 -4.869 -2.624 1.00 0.00 H new ATOM 0 HA THR A 7 -0.858 -6.333 -1.126 1.00 0.00 H new ATOM 0 HB THR A 7 2.110 -6.757 -1.388 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.430 -8.536 -2.780 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.662 -9.041 -0.545 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.234 -7.785 0.640 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.043 -8.596 -0.297 1.00 0.00 H new ATOM 146 N VAL A 8 -0.496 -5.157 1.013 1.00 0.00 N ATOM 147 CA VAL A 8 -0.310 -4.543 2.323 1.00 0.00 C ATOM 148 C VAL A 8 -0.050 -5.600 3.385 1.00 0.00 C ATOM 149 O VAL A 8 -0.360 -6.768 3.188 1.00 0.00 O ATOM 150 CB VAL A 8 -1.532 -3.703 2.734 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.180 -2.776 3.888 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.054 -2.909 1.548 1.00 0.00 C ATOM 0 H VAL A 8 -1.454 -5.447 0.817 1.00 0.00 H new ATOM 0 HA VAL A 8 0.556 -3.885 2.245 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.319 -4.379 3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.057 -2.190 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.854 -3.368 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.377 -2.105 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.918 -2.321 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.272 -2.242 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.347 -3.594 0.752 1.00 0.00 H new ATOM 162 N TYR A 9 0.536 -5.190 4.503 1.00 0.00 N ATOM 163 CA TYR A 9 0.849 -6.118 5.579 1.00 0.00 C ATOM 164 C TYR A 9 -0.001 -5.851 6.809 1.00 0.00 C ATOM 165 O TYR A 9 -0.167 -4.703 7.238 1.00 0.00 O ATOM 166 CB TYR A 9 2.334 -6.049 5.926 1.00 0.00 C ATOM 167 CG TYR A 9 3.196 -6.903 5.024 1.00 0.00 C ATOM 168 CD1 TYR A 9 3.045 -6.857 3.642 1.00 0.00 C ATOM 169 CD2 TYR A 9 4.159 -7.753 5.549 1.00 0.00 C ATOM 170 CE1 TYR A 9 3.830 -7.634 2.812 1.00 0.00 C ATOM 171 CE2 TYR A 9 4.948 -8.533 4.724 1.00 0.00 C ATOM 172 CZ TYR A 9 4.779 -8.469 3.358 1.00 0.00 C ATOM 173 OH TYR A 9 5.565 -9.243 2.534 1.00 0.00 O ATOM 0 H TYR A 9 0.803 -4.223 4.687 1.00 0.00 H new ATOM 0 HA TYR A 9 0.617 -7.124 5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.668 -5.013 5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.474 -6.367 6.959 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.302 -6.203 3.211 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.294 -7.806 6.619 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.700 -7.587 1.741 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.693 -9.189 5.148 1.00 0.00 H new ATOM 0 HH TYR A 9 6.184 -9.774 3.077 1.00 0.00 H new ATOM 183 N LEU A 10 -0.543 -6.934 7.359 1.00 0.00 N ATOM 184 CA LEU A 10 -1.398 -6.867 8.536 1.00 0.00 C ATOM 185 C LEU A 10 -0.609 -7.130 9.812 1.00 0.00 C ATOM 186 O LEU A 10 0.147 -8.098 9.901 1.00 0.00 O ATOM 187 CB LEU A 10 -2.527 -7.894 8.421 1.00 0.00 C ATOM 188 CG LEU A 10 -3.402 -7.766 7.175 1.00 0.00 C ATOM 189 CD1 LEU A 10 -2.903 -8.688 6.072 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.855 -8.068 7.511 1.00 0.00 C ATOM 0 H LEU A 10 -0.401 -7.879 7.001 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.814 -5.861 8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.090 -8.893 8.437 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.163 -7.810 9.302 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.339 -6.739 6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.539 -8.582 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.878 -8.423 5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.933 -9.721 6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.464 -7.972 6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.936 -9.084 7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.208 -7.364 8.265 1.00 0.00 H new ATOM 241 N GLU A 14 5.963 -10.365 8.940 1.00 0.00 N ATOM 242 CA GLU A 14 6.175 -10.028 7.537 1.00 0.00 C ATOM 243 C GLU A 14 5.673 -11.142 6.622 1.00 0.00 C ATOM 244 O GLU A 14 6.195 -11.336 5.525 1.00 0.00 O ATOM 245 CB GLU A 14 7.660 -9.764 7.275 1.00 0.00 C ATOM 246 CG GLU A 14 7.952 -8.347 6.808 1.00 0.00 C ATOM 247 CD GLU A 14 9.361 -8.189 6.273 1.00 0.00 C ATOM 248 OE1 GLU A 14 9.996 -7.155 6.569 1.00 0.00 O ATOM 249 OE2 GLU A 14 9.830 -9.098 5.556 1.00 0.00 O ATOM 0 HA GLU A 14 5.607 -9.124 7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.222 -9.960 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.018 -10.467 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.239 -8.070 6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.803 -7.657 7.638 1.00 0.00 H new ATOM 256 N GLN A 15 4.657 -11.868 7.075 1.00 0.00 N ATOM 257 CA GLN A 15 4.092 -12.958 6.286 1.00 0.00 C ATOM 258 C GLN A 15 2.595 -12.788 6.087 1.00 0.00 C ATOM 259 O GLN A 15 2.022 -13.400 5.186 1.00 0.00 O ATOM 260 CB GLN A 15 4.393 -14.308 6.941 1.00 0.00 C ATOM 261 CG GLN A 15 5.241 -15.228 6.078 1.00 0.00 C ATOM 262 CD GLN A 15 5.611 -16.516 6.786 1.00 0.00 C ATOM 263 OE1 GLN A 15 5.319 -17.610 6.303 1.00 0.00 O ATOM 264 NE2 GLN A 15 6.257 -16.394 7.940 1.00 0.00 N ATOM 0 H GLN A 15 4.209 -11.723 7.980 1.00 0.00 H new ATOM 0 HA GLN A 15 4.563 -12.931 5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.906 -14.137 7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.452 -14.807 7.174 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.698 -15.464 5.163 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.151 -14.706 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.479 -15.468 8.304 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.531 -17.227 8.462 1.00 0.00 H new ATOM 273 N HIS A 16 1.957 -11.930 6.882 1.00 0.00 N ATOM 274 CA HIS A 16 0.537 -11.707 6.685 1.00 0.00 C ATOM 275 C HIS A 16 0.374 -10.412 5.919 1.00 0.00 C ATOM 276 O HIS A 16 0.827 -9.353 6.352 1.00 0.00 O ATOM 277 CB HIS A 16 -0.178 -11.609 8.035 1.00 0.00 C ATOM 278 CG HIS A 16 -1.662 -11.445 7.930 1.00 0.00 C ATOM 279 ND1 HIS A 16 -2.451 -11.081 9.000 1.00 0.00 N ATOM 280 CD2 HIS A 16 -2.500 -11.588 6.876 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.709 -11.007 8.611 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.768 -11.310 7.326 1.00 0.00 N ATOM 0 H HIS A 16 2.386 -11.399 7.640 1.00 0.00 H new ATOM 0 HA HIS A 16 0.099 -12.537 6.131 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.037 -12.507 8.614 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.232 -10.765 8.591 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -2.223 -11.868 5.870 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.549 -10.743 9.237 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.617 -11.334 6.761 1.00 0.00 H new ATOM 291 N PHE A 17 -0.264 -10.513 4.771 1.00 0.00 N ATOM 292 CA PHE A 17 -0.483 -9.363 3.920 1.00 0.00 C ATOM 293 C PHE A 17 -1.825 -9.434 3.231 1.00 0.00 C ATOM 294 O PHE A 17 -2.394 -10.511 3.058 1.00 0.00 O ATOM 295 CB PHE A 17 0.623 -9.253 2.881 1.00 0.00 C ATOM 296 CG PHE A 17 0.914 -10.553 2.211 1.00 0.00 C ATOM 297 CD1 PHE A 17 1.981 -11.340 2.635 1.00 0.00 C ATOM 298 CD2 PHE A 17 0.119 -10.996 1.161 1.00 0.00 C ATOM 299 CE1 PHE A 17 2.253 -12.541 2.027 1.00 0.00 C ATOM 300 CE2 PHE A 17 0.391 -12.207 0.546 1.00 0.00 C ATOM 301 CZ PHE A 17 1.460 -12.979 0.978 1.00 0.00 C ATOM 0 H PHE A 17 -0.642 -11.387 4.405 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.471 -8.477 4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.338 -8.517 2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.530 -8.884 3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.602 -11.002 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.713 -10.395 0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.083 -13.143 2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.229 -12.550 -0.269 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.674 -13.922 0.497 1.00 0.00 H new ATOM 311 N THR A 18 -2.296 -8.292 2.783 1.00 0.00 N ATOM 312 CA THR A 18 -3.535 -8.237 2.044 1.00 0.00 C ATOM 313 C THR A 18 -3.340 -7.391 0.797 1.00 0.00 C ATOM 314 O THR A 18 -3.084 -6.191 0.880 1.00 0.00 O ATOM 315 CB THR A 18 -4.672 -7.683 2.905 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.916 -7.829 2.243 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.504 -6.219 3.250 1.00 0.00 C ATOM 0 H THR A 18 -1.840 -7.390 2.918 1.00 0.00 H new ATOM 0 HA THR A 18 -3.815 -9.249 1.752 1.00 0.00 H new ATOM 0 HB THR A 18 -4.644 -8.261 3.829 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.601 -8.097 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.344 -5.891 3.862 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.576 -6.080 3.804 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.471 -5.631 2.333 1.00 0.00 H new ATOM 325 N GLU A 19 -3.445 -8.031 -0.357 1.00 0.00 N ATOM 326 CA GLU A 19 -3.259 -7.341 -1.623 1.00 0.00 C ATOM 327 C GLU A 19 -4.591 -6.863 -2.175 1.00 0.00 C ATOM 328 O GLU A 19 -5.641 -7.423 -1.860 1.00 0.00 O ATOM 329 CB GLU A 19 -2.550 -8.249 -2.628 1.00 0.00 C ATOM 330 CG GLU A 19 -2.995 -9.702 -2.576 1.00 0.00 C ATOM 331 CD GLU A 19 -2.462 -10.517 -3.738 1.00 0.00 C ATOM 332 OE1 GLU A 19 -1.780 -11.532 -3.488 1.00 0.00 O ATOM 333 OE2 GLU A 19 -2.728 -10.140 -4.899 1.00 0.00 O ATOM 0 H GLU A 19 -3.658 -9.025 -0.443 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.632 -6.467 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.722 -7.864 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.476 -8.203 -2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.659 -10.148 -1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.084 -9.745 -2.576 1.00 0.00 H new ATOM 340 N VAL A 20 -4.547 -5.801 -2.971 1.00 0.00 N ATOM 341 CA VAL A 20 -5.771 -5.231 -3.524 1.00 0.00 C ATOM 342 C VAL A 20 -5.538 -4.426 -4.802 1.00 0.00 C ATOM 343 O VAL A 20 -4.588 -3.648 -4.892 1.00 0.00 O ATOM 344 CB VAL A 20 -6.429 -4.294 -2.499 1.00 0.00 C ATOM 345 CG1 VAL A 20 -7.053 -5.095 -1.368 1.00 0.00 C ATOM 346 CG2 VAL A 20 -5.406 -3.295 -1.964 1.00 0.00 C ATOM 0 H VAL A 20 -3.689 -5.322 -3.246 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.412 -6.080 -3.763 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.224 -3.736 -2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.514 -4.415 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.812 -5.765 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.281 -5.680 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.885 -2.637 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.590 -3.833 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.012 -2.701 -2.789 1.00 0.00 H new ATOM 356 N PRO A 21 -6.440 -4.573 -5.793 1.00 0.00 N ATOM 357 CA PRO A 21 -6.373 -3.836 -7.047 1.00 0.00 C ATOM 358 C PRO A 21 -7.151 -2.529 -6.934 1.00 0.00 C ATOM 359 O PRO A 21 -8.382 -2.536 -6.881 1.00 0.00 O ATOM 360 CB PRO A 21 -7.054 -4.791 -8.019 1.00 0.00 C ATOM 361 CG PRO A 21 -8.097 -5.482 -7.200 1.00 0.00 C ATOM 362 CD PRO A 21 -7.627 -5.448 -5.760 1.00 0.00 C ATOM 0 HA PRO A 21 -5.363 -3.558 -7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.499 -4.254 -8.856 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.343 -5.503 -8.439 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.061 -4.983 -7.303 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.233 -6.510 -7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.397 -5.052 -5.098 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.378 -6.445 -5.398 1.00 0.00 H new ATOM 370 N VAL A 22 -6.436 -1.413 -6.855 1.00 0.00 N ATOM 371 CA VAL A 22 -7.081 -0.110 -6.700 1.00 0.00 C ATOM 372 C VAL A 22 -6.907 0.780 -7.922 1.00 0.00 C ATOM 373 O VAL A 22 -5.957 0.643 -8.693 1.00 0.00 O ATOM 374 CB VAL A 22 -6.554 0.639 -5.437 1.00 0.00 C ATOM 375 CG1 VAL A 22 -5.301 -0.032 -4.891 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.283 2.121 -5.716 1.00 0.00 C ATOM 0 H VAL A 22 -5.417 -1.381 -6.895 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.145 -0.317 -6.582 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.341 0.584 -4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.953 0.509 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.530 -1.062 -4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.522 -0.024 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.918 2.601 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.533 2.212 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.205 2.605 -6.037 1.00 0.00 H new ATOM 386 N THR A 23 -7.829 1.726 -8.048 1.00 0.00 N ATOM 387 CA THR A 23 -7.809 2.706 -9.120 1.00 0.00 C ATOM 388 C THR A 23 -7.519 4.069 -8.503 1.00 0.00 C ATOM 389 O THR A 23 -7.641 4.230 -7.289 1.00 0.00 O ATOM 390 CB THR A 23 -9.153 2.720 -9.854 1.00 0.00 C ATOM 391 OG1 THR A 23 -10.186 3.173 -8.997 1.00 0.00 O ATOM 392 CG2 THR A 23 -9.560 1.361 -10.382 1.00 0.00 C ATOM 0 H THR A 23 -8.614 1.833 -7.405 1.00 0.00 H new ATOM 0 HA THR A 23 -7.039 2.455 -9.849 1.00 0.00 H new ATOM 0 HB THR A 23 -9.015 3.395 -10.699 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.037 3.177 -9.484 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.521 1.441 -10.891 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.807 1.003 -11.083 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.646 0.659 -9.552 1.00 0.00 H new ATOM 400 N PRO A 24 -7.133 5.078 -9.294 1.00 0.00 N ATOM 401 CA PRO A 24 -6.840 6.401 -8.747 1.00 0.00 C ATOM 402 C PRO A 24 -8.025 6.989 -7.982 1.00 0.00 C ATOM 403 O PRO A 24 -7.875 7.959 -7.239 1.00 0.00 O ATOM 404 CB PRO A 24 -6.498 7.242 -9.977 1.00 0.00 C ATOM 405 CG PRO A 24 -7.044 6.480 -11.138 1.00 0.00 C ATOM 406 CD PRO A 24 -6.950 5.031 -10.752 1.00 0.00 C ATOM 0 HA PRO A 24 -6.031 6.369 -8.017 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.945 8.234 -9.912 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.421 7.383 -10.070 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.076 6.765 -11.343 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.472 6.682 -12.043 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.719 4.431 -11.238 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.987 4.599 -11.027 1.00 0.00 H new ATOM 414 N GLU A 25 -9.203 6.389 -8.153 1.00 0.00 N ATOM 415 CA GLU A 25 -10.399 6.851 -7.460 1.00 0.00 C ATOM 416 C GLU A 25 -10.287 6.585 -5.961 1.00 0.00 C ATOM 417 O GLU A 25 -10.464 7.491 -5.147 1.00 0.00 O ATOM 418 CB GLU A 25 -11.642 6.157 -8.023 1.00 0.00 C ATOM 419 CG GLU A 25 -12.943 6.861 -7.671 1.00 0.00 C ATOM 420 CD GLU A 25 -13.935 5.946 -6.977 1.00 0.00 C ATOM 421 OE1 GLU A 25 -14.421 6.315 -5.887 1.00 0.00 O ATOM 422 OE2 GLU A 25 -14.227 4.862 -7.524 1.00 0.00 O ATOM 0 H GLU A 25 -9.351 5.585 -8.763 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.492 7.925 -7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.554 6.095 -9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.679 5.134 -7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.727 7.713 -7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.395 7.257 -8.581 1.00 0.00 H new ATOM 429 N THR A 26 -9.984 5.337 -5.603 1.00 0.00 N ATOM 430 CA THR A 26 -9.841 4.959 -4.201 1.00 0.00 C ATOM 431 C THR A 26 -8.391 5.059 -3.759 1.00 0.00 C ATOM 432 O THR A 26 -7.476 4.863 -4.561 1.00 0.00 O ATOM 433 CB THR A 26 -10.355 3.545 -3.962 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.854 2.650 -4.940 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.864 3.451 -3.975 1.00 0.00 C ATOM 0 H THR A 26 -9.834 4.574 -6.264 1.00 0.00 H new ATOM 0 HA THR A 26 -10.439 5.653 -3.610 1.00 0.00 H new ATOM 0 HB THR A 26 -9.998 3.273 -2.969 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.196 1.749 -4.765 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.166 2.418 -3.799 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.275 4.088 -3.192 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.241 3.779 -4.944 1.00 0.00 H new ATOM 443 N ILE A 27 -8.176 5.363 -2.483 1.00 0.00 N ATOM 444 CA ILE A 27 -6.813 5.476 -1.974 1.00 0.00 C ATOM 445 C ILE A 27 -6.640 4.842 -0.590 1.00 0.00 C ATOM 446 O ILE A 27 -7.353 5.163 0.355 1.00 0.00 O ATOM 447 CB ILE A 27 -6.435 6.970 -1.872 1.00 0.00 C ATOM 448 CG1 ILE A 27 -7.646 7.807 -1.416 1.00 0.00 C ATOM 449 CG2 ILE A 27 -5.933 7.480 -3.212 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.370 7.255 -0.201 1.00 0.00 C ATOM 0 H ILE A 27 -8.910 5.532 -1.795 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.166 4.942 -2.670 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.641 7.070 -1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.309 8.820 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.353 7.881 -2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.670 8.534 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.053 6.910 -3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.715 7.362 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.208 7.906 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.741 6.254 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.681 7.208 0.643 1.00 0.00 H new ATOM 462 N CYS A 28 -5.642 3.974 -0.464 1.00 0.00 N ATOM 463 CA CYS A 28 -5.315 3.334 0.813 1.00 0.00 C ATOM 464 C CYS A 28 -6.571 2.973 1.614 1.00 0.00 C ATOM 465 O CYS A 28 -6.515 2.832 2.839 1.00 0.00 O ATOM 466 CB CYS A 28 -4.396 4.233 1.628 1.00 0.00 C ATOM 467 SG CYS A 28 -3.320 3.353 2.782 1.00 0.00 S ATOM 0 H CYS A 28 -5.038 3.693 -1.237 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.798 2.400 0.593 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.777 4.814 0.944 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.005 4.943 2.188 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.409 3.897 3.959 1.00 0.00 H new ATOM 473 N ARG A 29 -7.691 2.806 0.925 1.00 0.00 N ATOM 474 CA ARG A 29 -8.942 2.452 1.578 1.00 0.00 C ATOM 475 C ARG A 29 -8.953 0.962 1.797 1.00 0.00 C ATOM 476 O ARG A 29 -9.361 0.465 2.846 1.00 0.00 O ATOM 477 CB ARG A 29 -10.140 2.882 0.726 1.00 0.00 C ATOM 478 CG ARG A 29 -11.243 3.556 1.526 1.00 0.00 C ATOM 479 CD ARG A 29 -11.528 4.960 1.017 1.00 0.00 C ATOM 480 NE ARG A 29 -12.235 4.947 -0.261 1.00 0.00 N ATOM 481 CZ ARG A 29 -13.514 4.604 -0.396 1.00 0.00 C ATOM 482 NH1 ARG A 29 -14.229 4.248 0.663 1.00 0.00 N ATOM 483 NH2 ARG A 29 -14.080 4.617 -1.595 1.00 0.00 N ATOM 0 H ARG A 29 -7.758 2.910 -0.087 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.020 2.969 2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.797 3.565 -0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.550 2.007 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.152 2.957 1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.955 3.601 2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.123 5.499 1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.589 5.503 0.906 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.719 5.216 -1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.799 4.236 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.209 3.986 0.552 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.535 4.890 -2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.060 4.354 -1.699 1.00 0.00 H new ATOM 497 N ASP A 30 -8.455 0.262 0.796 1.00 0.00 N ATOM 498 CA ASP A 30 -8.349 -1.183 0.859 1.00 0.00 C ATOM 499 C ASP A 30 -7.175 -1.561 1.754 1.00 0.00 C ATOM 500 O ASP A 30 -7.200 -2.586 2.436 1.00 0.00 O ATOM 501 CB ASP A 30 -8.156 -1.769 -0.542 1.00 0.00 C ATOM 502 CG ASP A 30 -9.469 -2.172 -1.183 1.00 0.00 C ATOM 503 OD1 ASP A 30 -9.903 -1.483 -2.131 1.00 0.00 O ATOM 504 OD2 ASP A 30 -10.064 -3.175 -0.739 1.00 0.00 O ATOM 0 H ASP A 30 -8.116 0.673 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.270 -1.592 1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.656 -1.036 -1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.501 -2.638 -0.483 1.00 0.00 H new ATOM 509 N VAL A 31 -6.149 -0.707 1.752 1.00 0.00 N ATOM 510 CA VAL A 31 -4.960 -0.930 2.562 1.00 0.00 C ATOM 511 C VAL A 31 -5.288 -0.846 4.052 1.00 0.00 C ATOM 512 O VAL A 31 -4.977 -1.760 4.819 1.00 0.00 O ATOM 513 CB VAL A 31 -3.880 0.118 2.210 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.639 -0.013 3.086 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.509 0.019 0.739 1.00 0.00 C ATOM 0 H VAL A 31 -6.123 0.147 1.195 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.585 -1.930 2.346 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.306 1.102 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.910 0.745 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.915 0.126 4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.203 -1.003 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.747 0.763 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.120 -0.977 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.393 0.200 0.128 1.00 0.00 H new ATOM 525 N VAL A 32 -5.925 0.248 4.456 1.00 0.00 N ATOM 526 CA VAL A 32 -6.293 0.438 5.855 1.00 0.00 C ATOM 527 C VAL A 32 -7.460 -0.461 6.253 1.00 0.00 C ATOM 528 O VAL A 32 -7.421 -1.121 7.292 1.00 0.00 O ATOM 529 CB VAL A 32 -6.654 1.906 6.144 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.065 2.077 7.598 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.479 2.811 5.810 1.00 0.00 C ATOM 0 H VAL A 32 -6.196 1.013 3.838 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.422 0.165 6.450 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.499 2.188 5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.317 3.121 7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.933 1.452 7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.240 1.781 8.246 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.747 3.847 6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.619 2.529 6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.228 2.707 4.754 1.00 0.00 H new ATOM 541 N ASP A 33 -8.502 -0.474 5.428 1.00 0.00 N ATOM 542 CA ASP A 33 -9.687 -1.282 5.701 1.00 0.00 C ATOM 543 C ASP A 33 -9.333 -2.751 5.915 1.00 0.00 C ATOM 544 O ASP A 33 -9.890 -3.407 6.795 1.00 0.00 O ATOM 545 CB ASP A 33 -10.692 -1.154 4.556 1.00 0.00 C ATOM 546 CG ASP A 33 -11.992 -1.879 4.844 1.00 0.00 C ATOM 547 OD1 ASP A 33 -11.944 -3.090 5.141 1.00 0.00 O ATOM 548 OD2 ASP A 33 -13.059 -1.233 4.773 1.00 0.00 O ATOM 0 H ASP A 33 -8.551 0.066 4.564 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.134 -0.906 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.900 -0.099 4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.251 -1.554 3.643 1.00 0.00 H new ATOM 553 N LEU A 34 -8.418 -3.270 5.102 1.00 0.00 N ATOM 554 CA LEU A 34 -8.021 -4.670 5.210 1.00 0.00 C ATOM 555 C LEU A 34 -6.975 -4.881 6.300 1.00 0.00 C ATOM 556 O LEU A 34 -6.930 -5.943 6.923 1.00 0.00 O ATOM 557 CB LEU A 34 -7.487 -5.176 3.872 1.00 0.00 C ATOM 558 CG LEU A 34 -8.553 -5.404 2.802 1.00 0.00 C ATOM 559 CD1 LEU A 34 -7.914 -5.498 1.427 1.00 0.00 C ATOM 560 CD2 LEU A 34 -9.352 -6.662 3.108 1.00 0.00 C ATOM 0 H LEU A 34 -7.941 -2.748 4.367 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.909 -5.240 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.759 -4.459 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.955 -6.112 4.040 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.235 -4.554 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.688 -5.661 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.385 -4.571 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.210 -6.330 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.107 -6.810 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.682 -7.522 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.840 -6.557 4.077 1.00 0.00 H new ATOM 572 N CYS A 35 -6.129 -3.881 6.531 1.00 0.00 N ATOM 573 CA CYS A 35 -5.094 -3.991 7.545 1.00 0.00 C ATOM 574 C CYS A 35 -5.454 -3.185 8.781 1.00 0.00 C ATOM 575 O CYS A 35 -4.588 -2.662 9.482 1.00 0.00 O ATOM 576 CB CYS A 35 -3.757 -3.531 6.978 1.00 0.00 C ATOM 577 SG CYS A 35 -3.186 -4.498 5.564 1.00 0.00 S ATOM 0 H CYS A 35 -6.142 -2.992 6.031 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.012 -5.037 7.840 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.841 -2.486 6.680 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.005 -3.579 7.765 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.769 -4.072 4.483 1.00 0.00 H new ATOM 583 N LYS A 36 -6.744 -3.102 9.032 1.00 0.00 N ATOM 584 CA LYS A 36 -7.268 -2.373 10.170 1.00 0.00 C ATOM 585 C LYS A 36 -7.188 -3.211 11.444 1.00 0.00 C ATOM 586 O LYS A 36 -6.764 -4.366 11.414 1.00 0.00 O ATOM 587 CB LYS A 36 -8.722 -1.966 9.890 1.00 0.00 C ATOM 588 CG LYS A 36 -9.051 -0.495 10.133 1.00 0.00 C ATOM 589 CD LYS A 36 -7.850 0.425 9.965 1.00 0.00 C ATOM 590 CE LYS A 36 -7.054 0.541 11.253 1.00 0.00 C ATOM 591 NZ LYS A 36 -6.285 1.814 11.319 1.00 0.00 N ATOM 0 H LYS A 36 -7.461 -3.539 8.452 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.663 -1.479 10.321 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.955 -2.206 8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.378 -2.575 10.513 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.836 -0.186 9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.450 -0.380 11.141 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.207 0.044 9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.188 1.414 9.655 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.732 0.482 12.105 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.368 -0.302 11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.276 1.619 11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.630 2.466 10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.411 2.248 12.256 1.00 0.00 H new ATOM 679 N CYS A 43 -4.253 6.530 11.348 1.00 0.00 N ATOM 680 CA CYS A 43 -3.500 5.415 10.787 1.00 0.00 C ATOM 681 C CYS A 43 -2.895 5.789 9.437 1.00 0.00 C ATOM 682 O CYS A 43 -3.434 6.627 8.715 1.00 0.00 O ATOM 683 CB CYS A 43 -4.406 4.193 10.630 1.00 0.00 C ATOM 684 SG CYS A 43 -6.003 4.555 9.865 1.00 0.00 S ATOM 0 HA CYS A 43 -2.688 5.175 11.474 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.889 3.445 10.030 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.577 3.752 11.612 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.869 5.537 9.024 1.00 0.00 H new ATOM 690 N HIS A 44 -1.772 5.161 9.103 1.00 0.00 N ATOM 691 CA HIS A 44 -1.097 5.427 7.839 1.00 0.00 C ATOM 692 C HIS A 44 -0.467 4.153 7.279 1.00 0.00 C ATOM 693 O HIS A 44 -0.202 3.200 8.016 1.00 0.00 O ATOM 694 CB HIS A 44 -0.039 6.528 8.020 1.00 0.00 C ATOM 695 CG HIS A 44 1.376 6.030 8.085 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.071 5.584 6.978 1.00 0.00 N ATOM 697 CD2 HIS A 44 2.226 5.913 9.132 1.00 0.00 C ATOM 698 CE1 HIS A 44 3.285 5.215 7.344 1.00 0.00 C ATOM 699 NE2 HIS A 44 3.406 5.405 8.644 1.00 0.00 N ATOM 0 H HIS A 44 -1.311 4.465 9.690 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.838 5.776 7.120 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.124 7.235 7.195 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.259 7.078 8.935 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.704 5.546 6.027 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.016 6.171 10.160 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.050 4.824 6.690 1.00 0.00 H new ATOM 708 N LEU A 45 -0.226 4.148 5.973 1.00 0.00 N ATOM 709 CA LEU A 45 0.374 3.002 5.308 1.00 0.00 C ATOM 710 C LEU A 45 1.830 3.305 4.984 1.00 0.00 C ATOM 711 O LEU A 45 2.185 4.455 4.750 1.00 0.00 O ATOM 712 CB LEU A 45 -0.421 2.667 4.041 1.00 0.00 C ATOM 713 CG LEU A 45 0.360 2.002 2.903 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.677 0.556 3.238 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.430 2.080 1.607 1.00 0.00 C ATOM 0 H LEU A 45 -0.439 4.929 5.353 1.00 0.00 H new ATOM 0 HA LEU A 45 0.345 2.134 5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.246 2.011 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.861 3.589 3.660 1.00 0.00 H new ATOM 0 HG LEU A 45 1.301 2.538 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.232 0.105 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.279 0.516 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.251 0.007 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.136 1.604 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.384 1.568 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.610 3.125 1.353 1.00 0.00 H new ATOM 727 N ALA A 46 2.674 2.281 4.994 1.00 0.00 N ATOM 728 CA ALA A 46 4.096 2.465 4.714 1.00 0.00 C ATOM 729 C ALA A 46 4.503 1.790 3.407 1.00 0.00 C ATOM 730 O ALA A 46 3.885 0.806 2.986 1.00 0.00 O ATOM 731 CB ALA A 46 4.930 1.932 5.870 1.00 0.00 C ATOM 0 H ALA A 46 2.402 1.318 5.192 1.00 0.00 H new ATOM 0 HA ALA A 46 4.281 3.534 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.988 2.074 5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.673 2.470 6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.727 0.870 6.006 1.00 0.00 H new ATOM 737 N GLU A 47 5.558 2.316 2.778 1.00 0.00 N ATOM 738 CA GLU A 47 6.068 1.749 1.533 1.00 0.00 C ATOM 739 C GLU A 47 7.569 1.486 1.646 1.00 0.00 C ATOM 740 O GLU A 47 8.368 2.417 1.708 1.00 0.00 O ATOM 741 CB GLU A 47 5.794 2.694 0.366 1.00 0.00 C ATOM 742 CG GLU A 47 6.535 4.018 0.454 1.00 0.00 C ATOM 743 CD GLU A 47 5.681 5.191 0.016 1.00 0.00 C ATOM 744 OE1 GLU A 47 5.799 6.274 0.627 1.00 0.00 O ATOM 745 OE2 GLU A 47 4.893 5.027 -0.938 1.00 0.00 O ATOM 0 H GLU A 47 6.072 3.131 3.112 1.00 0.00 H new ATOM 0 HA GLU A 47 5.555 0.805 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.070 2.196 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.723 2.892 0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.867 4.177 1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.430 3.972 -0.167 1.00 0.00 H new ATOM 752 N VAL A 48 7.945 0.210 1.658 1.00 0.00 N ATOM 753 CA VAL A 48 9.351 -0.182 1.750 1.00 0.00 C ATOM 754 C VAL A 48 9.751 -1.078 0.593 1.00 0.00 C ATOM 755 O VAL A 48 9.094 -2.087 0.333 1.00 0.00 O ATOM 756 CB VAL A 48 9.680 -0.898 3.076 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.189 -0.980 3.274 1.00 0.00 C ATOM 758 CG2 VAL A 48 9.014 -0.193 4.251 1.00 0.00 C ATOM 0 H VAL A 48 7.294 -0.574 1.605 1.00 0.00 H new ATOM 0 HA VAL A 48 9.922 0.746 1.710 1.00 0.00 H new ATOM 0 HB VAL A 48 9.285 -1.913 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.406 -1.488 4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.634 -1.537 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.608 0.026 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.260 -0.715 5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.372 0.835 4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.933 -0.194 4.110 1.00 0.00 H new ATOM 768 N TRP A 49 10.826 -0.730 -0.097 1.00 0.00 N ATOM 769 CA TRP A 49 11.277 -1.547 -1.207 1.00 0.00 C ATOM 770 C TRP A 49 12.802 -1.552 -1.333 1.00 0.00 C ATOM 771 O TRP A 49 13.423 -0.509 -1.532 1.00 0.00 O ATOM 772 CB TRP A 49 10.598 -1.086 -2.497 1.00 0.00 C ATOM 773 CG TRP A 49 11.511 -0.539 -3.530 1.00 0.00 C ATOM 774 CD1 TRP A 49 12.285 -1.227 -4.412 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.724 0.830 -3.782 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.965 -0.350 -5.218 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.641 0.933 -4.838 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.213 1.974 -3.198 1.00 0.00 C ATOM 779 CZ2 TRP A 49 13.061 2.167 -5.329 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.625 3.203 -3.678 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.545 3.292 -4.735 1.00 0.00 C ATOM 0 H TRP A 49 11.392 0.098 0.089 1.00 0.00 H new ATOM 0 HA TRP A 49 10.987 -2.580 -1.014 1.00 0.00 H new ATOM 0 HB2 TRP A 49 10.055 -1.929 -2.924 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.859 -0.324 -2.248 1.00 0.00 H new ATOM 0 HD1 TRP A 49 12.354 -2.303 -4.469 1.00 0.00 H new ATOM 0 HE1 TRP A 49 13.603 -0.605 -5.972 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.507 1.909 -2.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.765 2.236 -6.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.234 4.107 -3.234 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.853 4.265 -5.088 1.00 0.00 H new ATOM 792 N CYS A 50 13.394 -2.739 -1.227 1.00 0.00 N ATOM 793 CA CYS A 50 14.843 -2.895 -1.340 1.00 0.00 C ATOM 794 C CYS A 50 15.591 -1.835 -0.532 1.00 0.00 C ATOM 795 O CYS A 50 16.575 -1.264 -1.003 1.00 0.00 O ATOM 796 CB CYS A 50 15.266 -2.824 -2.808 1.00 0.00 C ATOM 797 SG CYS A 50 15.138 -4.399 -3.690 1.00 0.00 S ATOM 0 H CYS A 50 12.891 -3.611 -1.062 1.00 0.00 H new ATOM 0 HA CYS A 50 15.103 -3.872 -0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.649 -2.083 -3.317 1.00 0.00 H new ATOM 0 HB3 CYS A 50 16.296 -2.472 -2.862 1.00 0.00 H new ATOM 0 HG CYS A 50 15.515 -4.237 -4.924 1.00 0.00 H new ATOM 803 N GLY A 51 15.123 -1.582 0.684 1.00 0.00 N ATOM 804 CA GLY A 51 15.770 -0.596 1.532 1.00 0.00 C ATOM 805 C GLY A 51 15.143 0.783 1.427 1.00 0.00 C ATOM 806 O GLY A 51 15.418 1.655 2.250 1.00 0.00 O ATOM 0 H GLY A 51 14.311 -2.039 1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.725 -0.931 2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.824 -0.531 1.264 1.00 0.00 H new ATOM 810 N SER A 52 14.296 0.986 0.420 1.00 0.00 N ATOM 811 CA SER A 52 13.637 2.274 0.236 1.00 0.00 C ATOM 812 C SER A 52 12.319 2.310 0.994 1.00 0.00 C ATOM 813 O SER A 52 11.294 1.850 0.494 1.00 0.00 O ATOM 814 CB SER A 52 13.387 2.549 -1.249 1.00 0.00 C ATOM 815 OG SER A 52 14.424 3.338 -1.806 1.00 0.00 O ATOM 0 H SER A 52 14.052 0.280 -0.275 1.00 0.00 H new ATOM 0 HA SER A 52 14.295 3.048 0.630 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.315 1.605 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.432 3.060 -1.371 1.00 0.00 H new ATOM 0 HG SER A 52 14.186 3.592 -2.722 1.00 0.00 H new ATOM 821 N GLU A 53 12.353 2.858 2.204 1.00 0.00 N ATOM 822 CA GLU A 53 11.157 2.948 3.029 1.00 0.00 C ATOM 823 C GLU A 53 10.663 4.390 3.111 1.00 0.00 C ATOM 824 O GLU A 53 11.448 5.314 3.324 1.00 0.00 O ATOM 825 CB GLU A 53 11.437 2.410 4.433 1.00 0.00 C ATOM 826 CG GLU A 53 12.546 3.155 5.160 1.00 0.00 C ATOM 827 CD GLU A 53 12.095 3.719 6.493 1.00 0.00 C ATOM 828 OE1 GLU A 53 12.936 3.821 7.410 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.900 4.059 6.620 1.00 0.00 O ATOM 0 H GLU A 53 13.194 3.245 2.633 1.00 0.00 H new ATOM 0 HA GLU A 53 10.379 2.341 2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.523 2.468 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.704 1.356 4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.387 2.480 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.906 3.968 4.529 1.00 0.00 H new ATOM 836 N ARG A 54 9.359 4.574 2.940 1.00 0.00 N ATOM 837 CA ARG A 54 8.757 5.902 2.993 1.00 0.00 C ATOM 838 C ARG A 54 7.343 5.837 3.568 1.00 0.00 C ATOM 839 O ARG A 54 6.668 4.813 3.465 1.00 0.00 O ATOM 840 CB ARG A 54 8.729 6.528 1.595 1.00 0.00 C ATOM 841 CG ARG A 54 9.769 7.617 1.393 1.00 0.00 C ATOM 842 CD ARG A 54 9.281 8.679 0.420 1.00 0.00 C ATOM 843 NE ARG A 54 9.806 8.472 -0.928 1.00 0.00 N ATOM 844 CZ ARG A 54 9.648 9.339 -1.926 1.00 0.00 C ATOM 845 NH1 ARG A 54 8.981 10.470 -1.733 1.00 0.00 N ATOM 846 NH2 ARG A 54 10.158 9.073 -3.121 1.00 0.00 N ATOM 0 H ARG A 54 8.697 3.819 2.763 1.00 0.00 H new ATOM 0 HA ARG A 54 9.365 6.525 3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.886 5.745 0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.739 6.945 1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.003 8.080 2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.692 7.175 1.018 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.191 8.669 0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.581 9.664 0.778 1.00 0.00 H new ATOM 0 HE ARG A 54 10.324 7.613 -1.115 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.586 10.679 -0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.863 11.130 -2.502 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.671 8.205 -3.275 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.037 9.737 -3.886 1.00 0.00 H new ATOM 860 N PRO A 55 6.873 6.932 4.186 1.00 0.00 N ATOM 861 CA PRO A 55 5.537 6.991 4.774 1.00 0.00 C ATOM 862 C PRO A 55 4.462 7.297 3.734 1.00 0.00 C ATOM 863 O PRO A 55 4.446 8.380 3.147 1.00 0.00 O ATOM 864 CB PRO A 55 5.660 8.139 5.771 1.00 0.00 C ATOM 865 CG PRO A 55 6.657 9.062 5.156 1.00 0.00 C ATOM 866 CD PRO A 55 7.609 8.200 4.362 1.00 0.00 C ATOM 0 HA PRO A 55 5.235 6.044 5.221 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.702 8.635 5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.996 7.784 6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.165 9.791 4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.190 9.623 5.923 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.856 8.656 3.403 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.548 8.047 4.894 1.00 0.00 H new ATOM 874 N VAL A 56 3.562 6.344 3.514 1.00 0.00 N ATOM 875 CA VAL A 56 2.483 6.530 2.545 1.00 0.00 C ATOM 876 C VAL A 56 1.185 6.948 3.239 1.00 0.00 C ATOM 877 O VAL A 56 0.739 6.317 4.206 1.00 0.00 O ATOM 878 CB VAL A 56 2.230 5.269 1.658 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.135 4.096 2.049 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.758 4.853 1.695 1.00 0.00 C ATOM 0 H VAL A 56 3.556 5.441 3.988 1.00 0.00 H new ATOM 0 HA VAL A 56 2.812 7.330 1.882 1.00 0.00 H new ATOM 0 HB VAL A 56 2.483 5.547 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.923 3.242 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.179 4.387 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.948 3.822 3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.613 3.973 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.472 4.620 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.140 5.670 1.322 1.00 0.00 H new ATOM 890 N ALA A 57 0.582 8.011 2.721 1.00 0.00 N ATOM 891 CA ALA A 57 -0.665 8.531 3.259 1.00 0.00 C ATOM 892 C ALA A 57 -1.849 7.699 2.787 1.00 0.00 C ATOM 893 O ALA A 57 -1.794 7.067 1.731 1.00 0.00 O ATOM 894 CB ALA A 57 -0.844 9.977 2.839 1.00 0.00 C ATOM 0 H ALA A 57 0.942 8.533 1.922 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.621 8.475 4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.780 10.361 3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.013 10.572 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.868 10.040 1.751 1.00 0.00 H new ATOM 900 N ASP A 58 -2.918 7.692 3.576 1.00 0.00 N ATOM 901 CA ASP A 58 -4.101 6.921 3.230 1.00 0.00 C ATOM 902 C ASP A 58 -4.775 7.445 1.963 1.00 0.00 C ATOM 903 O ASP A 58 -5.653 6.788 1.404 1.00 0.00 O ATOM 904 CB ASP A 58 -5.109 6.917 4.378 1.00 0.00 C ATOM 905 CG ASP A 58 -4.460 6.622 5.717 1.00 0.00 C ATOM 906 OD1 ASP A 58 -4.032 5.468 5.927 1.00 0.00 O ATOM 907 OD2 ASP A 58 -4.381 7.544 6.555 1.00 0.00 O ATOM 0 H ASP A 58 -2.988 8.208 4.453 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.765 5.901 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.607 7.886 4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.879 6.172 4.179 1.00 0.00 H new ATOM 912 N ASN A 59 -4.383 8.633 1.517 1.00 0.00 N ATOM 913 CA ASN A 59 -4.979 9.220 0.324 1.00 0.00 C ATOM 914 C ASN A 59 -4.073 9.080 -0.899 1.00 0.00 C ATOM 915 O ASN A 59 -4.305 9.722 -1.924 1.00 0.00 O ATOM 916 CB ASN A 59 -5.301 10.696 0.567 1.00 0.00 C ATOM 917 CG ASN A 59 -6.210 10.901 1.762 1.00 0.00 C ATOM 918 OD1 ASN A 59 -5.762 11.305 2.835 1.00 0.00 O ATOM 919 ND2 ASN A 59 -7.495 10.621 1.583 1.00 0.00 N ATOM 0 H ASN A 59 -3.662 9.204 1.959 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.899 8.673 0.118 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.373 11.247 0.721 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.775 11.113 -0.322 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.154 10.738 2.352 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.823 10.288 0.676 1.00 0.00 H new ATOM 926 N GLU A 60 -3.048 8.237 -0.799 1.00 0.00 N ATOM 927 CA GLU A 60 -2.131 8.031 -1.916 1.00 0.00 C ATOM 928 C GLU A 60 -2.691 6.994 -2.890 1.00 0.00 C ATOM 929 O GLU A 60 -2.839 5.822 -2.547 1.00 0.00 O ATOM 930 CB GLU A 60 -0.759 7.588 -1.407 1.00 0.00 C ATOM 931 CG GLU A 60 -0.034 8.659 -0.608 1.00 0.00 C ATOM 932 CD GLU A 60 0.712 9.639 -1.492 1.00 0.00 C ATOM 933 OE1 GLU A 60 0.254 10.795 -1.616 1.00 0.00 O ATOM 934 OE2 GLU A 60 1.754 9.251 -2.060 1.00 0.00 O ATOM 0 H GLU A 60 -2.833 7.691 0.035 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.020 8.978 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.880 6.701 -0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.141 7.299 -2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.755 9.202 0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.669 8.184 0.076 1.00 0.00 H new ATOM 941 N ARG A 61 -3.012 7.439 -4.103 1.00 0.00 N ATOM 942 CA ARG A 61 -3.568 6.556 -5.124 1.00 0.00 C ATOM 943 C ARG A 61 -2.604 5.425 -5.457 1.00 0.00 C ATOM 944 O ARG A 61 -1.402 5.645 -5.600 1.00 0.00 O ATOM 945 CB ARG A 61 -3.915 7.352 -6.386 1.00 0.00 C ATOM 946 CG ARG A 61 -5.308 7.959 -6.357 1.00 0.00 C ATOM 947 CD ARG A 61 -5.338 9.251 -5.556 1.00 0.00 C ATOM 948 NE ARG A 61 -4.962 10.407 -6.367 1.00 0.00 N ATOM 949 CZ ARG A 61 -5.796 11.037 -7.192 1.00 0.00 C ATOM 950 NH1 ARG A 61 -7.049 10.621 -7.328 1.00 0.00 N ATOM 951 NH2 ARG A 61 -5.375 12.087 -7.885 1.00 0.00 N ATOM 0 H ARG A 61 -2.896 8.407 -4.402 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.481 6.113 -4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.183 8.149 -6.516 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.831 6.697 -7.253 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.642 8.154 -7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.008 7.245 -5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.338 9.403 -5.150 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.659 9.167 -4.707 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.005 10.752 -6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.379 9.814 -6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.682 11.109 -7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.413 12.411 -7.786 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.013 12.570 -8.517 1.00 0.00 H new ATOM 965 N MET A 62 -3.148 4.212 -5.580 1.00 0.00 N ATOM 966 CA MET A 62 -2.349 3.020 -5.895 1.00 0.00 C ATOM 967 C MET A 62 -1.141 3.380 -6.749 1.00 0.00 C ATOM 968 O MET A 62 -0.022 3.505 -6.252 1.00 0.00 O ATOM 969 CB MET A 62 -3.215 1.988 -6.623 1.00 0.00 C ATOM 970 CG MET A 62 -2.428 0.857 -7.272 1.00 0.00 C ATOM 971 SD MET A 62 -1.326 0.023 -6.116 1.00 0.00 S ATOM 972 CE MET A 62 -0.316 -0.935 -7.244 1.00 0.00 C ATOM 0 H MET A 62 -4.144 4.027 -5.466 1.00 0.00 H new ATOM 0 HA MET A 62 -1.989 2.594 -4.959 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.925 1.561 -5.914 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.798 2.497 -7.391 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.124 0.131 -7.693 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.844 1.256 -8.101 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.452 -1.467 -6.682 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.942 -1.654 -7.773 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.158 -0.268 -7.964 1.00 0.00 H new ATOM 982 N PHE A 63 -1.389 3.554 -8.035 1.00 0.00 N ATOM 983 CA PHE A 63 -0.327 3.909 -8.977 1.00 0.00 C ATOM 984 C PHE A 63 0.422 5.152 -8.516 1.00 0.00 C ATOM 985 O PHE A 63 1.641 5.239 -8.668 1.00 0.00 O ATOM 986 CB PHE A 63 -0.892 4.157 -10.378 1.00 0.00 C ATOM 987 CG PHE A 63 -2.013 3.238 -10.749 1.00 0.00 C ATOM 988 CD1 PHE A 63 -1.757 2.024 -11.363 1.00 0.00 C ATOM 989 CD2 PHE A 63 -3.321 3.589 -10.479 1.00 0.00 C ATOM 990 CE1 PHE A 63 -2.792 1.174 -11.702 1.00 0.00 C ATOM 991 CE2 PHE A 63 -4.361 2.743 -10.814 1.00 0.00 C ATOM 992 CZ PHE A 63 -4.096 1.535 -11.426 1.00 0.00 C ATOM 0 H PHE A 63 -2.313 3.457 -8.456 1.00 0.00 H new ATOM 0 HA PHE A 63 0.364 3.066 -9.013 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.243 5.187 -10.441 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.089 4.049 -11.108 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.738 1.739 -11.579 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.533 4.534 -10.001 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.582 0.229 -12.182 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.380 3.027 -10.597 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.908 0.873 -11.689 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.303 6.111 -7.941 1.00 0.00 N ATOM 1003 CA ASP A 64 0.321 7.338 -7.469 1.00 0.00 C ATOM 1004 C ASP A 64 1.470 7.012 -6.532 1.00 0.00 C ATOM 1005 O ASP A 64 2.528 7.639 -6.578 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.695 8.237 -6.764 1.00 0.00 C ATOM 1007 CG ASP A 64 -1.350 9.222 -7.713 1.00 0.00 C ATOM 1008 OD1 ASP A 64 -2.008 8.772 -8.674 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -1.204 10.443 -7.494 1.00 0.00 O ATOM 0 H ASP A 64 -1.311 6.060 -7.794 1.00 0.00 H new ATOM 0 HA ASP A 64 0.707 7.877 -8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.463 7.618 -6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.198 8.784 -5.963 1.00 0.00 H new ATOM 1014 N VAL A 65 1.258 6.000 -5.701 1.00 0.00 N ATOM 1015 CA VAL A 65 2.278 5.556 -4.769 1.00 0.00 C ATOM 1016 C VAL A 65 3.294 4.695 -5.499 1.00 0.00 C ATOM 1017 O VAL A 65 4.460 4.630 -5.117 1.00 0.00 O ATOM 1018 CB VAL A 65 1.685 4.732 -3.605 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.581 4.828 -2.381 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.265 5.178 -3.278 1.00 0.00 C ATOM 0 H VAL A 65 0.386 5.472 -5.656 1.00 0.00 H new ATOM 0 HA VAL A 65 2.747 6.448 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 65 1.636 3.689 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.151 4.243 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.571 4.440 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.665 5.870 -2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.124 4.579 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.271 6.229 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.369 5.045 -4.155 1.00 0.00 H new ATOM 1030 N LEU A 66 2.834 4.035 -6.557 1.00 0.00 N ATOM 1031 CA LEU A 66 3.682 3.166 -7.355 1.00 0.00 C ATOM 1032 C LEU A 66 4.586 3.973 -8.286 1.00 0.00 C ATOM 1033 O LEU A 66 5.506 3.429 -8.896 1.00 0.00 O ATOM 1034 CB LEU A 66 2.808 2.195 -8.154 1.00 0.00 C ATOM 1035 CG LEU A 66 3.018 0.717 -7.826 1.00 0.00 C ATOM 1036 CD1 LEU A 66 2.375 0.371 -6.490 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.454 -0.158 -8.934 1.00 0.00 C ATOM 0 H LEU A 66 1.868 4.089 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 66 4.330 2.600 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.761 2.445 -7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.000 2.347 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 66 4.089 0.528 -7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.534 -0.685 -6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.825 0.976 -5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.305 0.574 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.612 -1.207 -8.685 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.386 0.033 -9.041 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.959 0.072 -9.872 1.00 0.00 H new ATOM 1049 N GLN A 67 4.319 5.273 -8.392 1.00 0.00 N ATOM 1050 CA GLN A 67 5.109 6.149 -9.248 1.00 0.00 C ATOM 1051 C GLN A 67 6.265 6.787 -8.478 1.00 0.00 C ATOM 1052 O GLN A 67 7.239 7.242 -9.077 1.00 0.00 O ATOM 1053 CB GLN A 67 4.222 7.243 -9.849 1.00 0.00 C ATOM 1054 CG GLN A 67 3.646 6.884 -11.208 1.00 0.00 C ATOM 1055 CD GLN A 67 2.474 7.764 -11.594 1.00 0.00 C ATOM 1056 OE1 GLN A 67 2.617 8.699 -12.381 1.00 0.00 O ATOM 1057 NE2 GLN A 67 1.304 7.469 -11.039 1.00 0.00 N ATOM 0 H GLN A 67 3.561 5.741 -7.895 1.00 0.00 H new ATOM 0 HA GLN A 67 5.528 5.540 -10.049 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.403 7.453 -9.161 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.804 8.160 -9.942 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.426 6.972 -11.964 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.326 5.842 -11.199 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.230 6.685 -10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.479 8.027 -11.261 1.00 0.00 H new ATOM 1066 N ARG A 68 6.154 6.829 -7.151 1.00 0.00 N ATOM 1067 CA ARG A 68 7.196 7.425 -6.322 1.00 0.00 C ATOM 1068 C ARG A 68 8.388 6.485 -6.158 1.00 0.00 C ATOM 1069 O ARG A 68 9.523 6.935 -6.009 1.00 0.00 O ATOM 1070 CB ARG A 68 6.638 7.804 -4.948 1.00 0.00 C ATOM 1071 CG ARG A 68 6.055 6.630 -4.179 1.00 0.00 C ATOM 1072 CD ARG A 68 6.373 6.720 -2.695 1.00 0.00 C ATOM 1073 NE ARG A 68 5.296 7.360 -1.941 1.00 0.00 N ATOM 1074 CZ ARG A 68 5.214 8.671 -1.720 1.00 0.00 C ATOM 1075 NH1 ARG A 68 6.140 9.494 -2.195 1.00 0.00 N ATOM 1076 NH2 ARG A 68 4.199 9.162 -1.022 1.00 0.00 N ATOM 0 H ARG A 68 5.358 6.460 -6.631 1.00 0.00 H new ATOM 0 HA ARG A 68 7.542 8.326 -6.829 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.433 8.256 -4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.866 8.562 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.974 6.603 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.452 5.698 -4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.546 5.719 -2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.296 7.282 -2.556 1.00 0.00 H new ATOM 0 HE ARG A 68 4.561 6.765 -1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.923 9.124 -2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.069 10.497 -2.021 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.482 8.536 -0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.135 10.166 -0.852 1.00 0.00 H new ATOM 1090 N PHE A 69 8.130 5.181 -6.194 1.00 0.00 N ATOM 1091 CA PHE A 69 9.198 4.195 -6.054 1.00 0.00 C ATOM 1092 C PHE A 69 10.209 4.329 -7.193 1.00 0.00 C ATOM 1093 O PHE A 69 11.338 3.848 -7.091 1.00 0.00 O ATOM 1094 CB PHE A 69 8.625 2.775 -6.031 1.00 0.00 C ATOM 1095 CG PHE A 69 7.690 2.510 -4.882 1.00 0.00 C ATOM 1096 CD1 PHE A 69 8.168 2.045 -3.665 1.00 0.00 C ATOM 1097 CD2 PHE A 69 6.333 2.719 -5.024 1.00 0.00 C ATOM 1098 CE1 PHE A 69 7.309 1.795 -2.611 1.00 0.00 C ATOM 1099 CE2 PHE A 69 5.466 2.473 -3.979 1.00 0.00 C ATOM 1100 CZ PHE A 69 5.953 2.013 -2.774 1.00 0.00 C ATOM 0 H PHE A 69 7.199 4.784 -6.318 1.00 0.00 H new ATOM 0 HA PHE A 69 9.707 4.383 -5.108 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.095 2.593 -6.966 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.449 2.063 -5.987 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.227 1.876 -3.539 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.945 3.080 -5.965 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.693 1.433 -1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.407 2.641 -4.105 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.274 1.823 -1.956 1.00 0.00 H new ATOM 1110 N GLY A 70 9.800 4.984 -8.276 1.00 0.00 N ATOM 1111 CA GLY A 70 10.686 5.167 -9.411 1.00 0.00 C ATOM 1112 C GLY A 70 10.249 4.364 -10.621 1.00 0.00 C ATOM 1113 O GLY A 70 9.944 4.928 -11.672 1.00 0.00 O ATOM 0 H GLY A 70 8.871 5.391 -8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.722 6.224 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.698 4.874 -9.130 1.00 0.00 H new ATOM 1117 N SER A 71 10.219 3.045 -10.470 1.00 0.00 N ATOM 1118 CA SER A 71 9.817 2.157 -11.554 1.00 0.00 C ATOM 1119 C SER A 71 9.505 0.764 -11.021 1.00 0.00 C ATOM 1120 O SER A 71 8.512 0.147 -11.407 1.00 0.00 O ATOM 1121 CB SER A 71 10.917 2.078 -12.613 1.00 0.00 C ATOM 1122 OG SER A 71 10.444 1.452 -13.794 1.00 0.00 O ATOM 0 H SER A 71 10.469 2.566 -9.605 1.00 0.00 H new ATOM 0 HA SER A 71 8.915 2.564 -12.011 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.274 3.081 -12.847 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.767 1.522 -12.218 1.00 0.00 H new ATOM 0 HG SER A 71 11.166 1.415 -14.456 1.00 0.00 H new ATOM 1128 N GLN A 72 10.361 0.275 -10.130 1.00 0.00 N ATOM 1129 CA GLN A 72 10.179 -1.044 -9.539 1.00 0.00 C ATOM 1130 C GLN A 72 8.901 -1.092 -8.706 1.00 0.00 C ATOM 1131 O GLN A 72 8.920 -0.815 -7.506 1.00 0.00 O ATOM 1132 CB GLN A 72 11.384 -1.403 -8.668 1.00 0.00 C ATOM 1133 CG GLN A 72 12.487 -2.126 -9.425 1.00 0.00 C ATOM 1134 CD GLN A 72 13.421 -1.172 -10.145 1.00 0.00 C ATOM 1135 OE1 GLN A 72 14.555 -0.956 -9.719 1.00 0.00 O ATOM 1136 NE2 GLN A 72 12.946 -0.594 -11.242 1.00 0.00 N ATOM 0 H GLN A 72 11.188 0.773 -9.802 1.00 0.00 H new ATOM 0 HA GLN A 72 10.093 -1.771 -10.346 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.791 -0.491 -8.232 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.050 -2.030 -7.841 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.062 -2.735 -8.728 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.040 -2.807 -10.149 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.999 -0.802 -11.559 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.528 0.058 -11.768 1.00 0.00 H new ATOM 1145 N ARG A 73 7.794 -1.447 -9.349 1.00 0.00 N ATOM 1146 CA ARG A 73 6.507 -1.531 -8.666 1.00 0.00 C ATOM 1147 C ARG A 73 6.336 -2.886 -7.984 1.00 0.00 C ATOM 1148 O ARG A 73 5.603 -3.008 -7.002 1.00 0.00 O ATOM 1149 CB ARG A 73 5.359 -1.293 -9.650 1.00 0.00 C ATOM 1150 CG ARG A 73 5.508 -2.046 -10.963 1.00 0.00 C ATOM 1151 CD ARG A 73 4.226 -2.007 -11.780 1.00 0.00 C ATOM 1152 NE ARG A 73 4.453 -1.485 -13.126 1.00 0.00 N ATOM 1153 CZ ARG A 73 3.493 -0.984 -13.900 1.00 0.00 C ATOM 1154 NH1 ARG A 73 2.238 -0.937 -13.468 1.00 0.00 N ATOM 1155 NH2 ARG A 73 3.787 -0.528 -15.110 1.00 0.00 N ATOM 0 H ARG A 73 7.761 -1.681 -10.341 1.00 0.00 H new ATOM 0 HA ARG A 73 6.484 -0.754 -7.901 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.422 -1.587 -9.178 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.289 -0.226 -9.860 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.322 -1.611 -11.542 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.779 -3.082 -10.760 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.807 -3.011 -11.846 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.489 -1.387 -11.270 1.00 0.00 H new ATOM 0 HE ARG A 73 5.404 -1.506 -13.494 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.005 -1.286 -12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.507 -0.552 -14.066 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.749 -0.561 -15.448 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.051 -0.144 -15.703 1.00 0.00 H new ATOM 1169 N ASN A 74 7.019 -3.900 -8.506 1.00 0.00 N ATOM 1170 CA ASN A 74 6.942 -5.242 -7.941 1.00 0.00 C ATOM 1171 C ASN A 74 8.074 -5.485 -6.945 1.00 0.00 C ATOM 1172 O ASN A 74 8.420 -6.630 -6.651 1.00 0.00 O ATOM 1173 CB ASN A 74 6.993 -6.290 -9.056 1.00 0.00 C ATOM 1174 CG ASN A 74 5.970 -6.027 -10.143 1.00 0.00 C ATOM 1175 OD1 ASN A 74 6.250 -5.334 -11.121 1.00 0.00 O ATOM 1176 ND2 ASN A 74 4.774 -6.582 -9.978 1.00 0.00 N ATOM 0 H ASN A 74 7.631 -3.818 -9.318 1.00 0.00 H new ATOM 0 HA ASN A 74 5.994 -5.330 -7.410 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.991 -6.301 -9.495 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.821 -7.278 -8.630 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.045 -6.441 -10.678 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.585 -7.149 -9.152 1.00 0.00 H new ATOM 1183 N GLU A 75 8.649 -4.401 -6.431 1.00 0.00 N ATOM 1184 CA GLU A 75 9.743 -4.493 -5.468 1.00 0.00 C ATOM 1185 C GLU A 75 9.374 -3.836 -4.139 1.00 0.00 C ATOM 1186 O GLU A 75 10.124 -3.930 -3.167 1.00 0.00 O ATOM 1187 CB GLU A 75 10.996 -3.810 -6.024 1.00 0.00 C ATOM 1188 CG GLU A 75 12.293 -4.465 -5.579 1.00 0.00 C ATOM 1189 CD GLU A 75 12.650 -5.678 -6.415 1.00 0.00 C ATOM 1190 OE1 GLU A 75 11.732 -6.271 -7.020 1.00 0.00 O ATOM 1191 OE2 GLU A 75 13.846 -6.035 -6.464 1.00 0.00 O ATOM 0 H GLU A 75 8.375 -3.447 -6.666 1.00 0.00 H new ATOM 0 HA GLU A 75 9.938 -5.552 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.950 -3.816 -7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.000 -2.766 -5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.102 -3.737 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.206 -4.762 -4.534 1.00 0.00 H new ATOM 1198 N VAL A 76 8.230 -3.153 -4.109 1.00 0.00 N ATOM 1199 CA VAL A 76 7.778 -2.452 -2.906 1.00 0.00 C ATOM 1200 C VAL A 76 6.846 -3.312 -2.061 1.00 0.00 C ATOM 1201 O VAL A 76 6.279 -4.298 -2.532 1.00 0.00 O ATOM 1202 CB VAL A 76 7.065 -1.115 -3.256 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.796 -1.003 -4.750 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.771 -0.929 -2.457 1.00 0.00 C ATOM 0 H VAL A 76 7.598 -3.070 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 76 8.675 -2.236 -2.326 1.00 0.00 H new ATOM 0 HB VAL A 76 7.745 -0.312 -2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.297 -0.057 -4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.740 -1.044 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.158 -1.828 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.306 0.017 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.086 -1.748 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.999 -0.924 -1.391 1.00 0.00 H new ATOM 1214 N ARG A 77 6.680 -2.895 -0.814 1.00 0.00 N ATOM 1215 CA ARG A 77 5.803 -3.570 0.126 1.00 0.00 C ATOM 1216 C ARG A 77 4.924 -2.545 0.827 1.00 0.00 C ATOM 1217 O ARG A 77 5.370 -1.435 1.122 1.00 0.00 O ATOM 1218 CB ARG A 77 6.622 -4.360 1.148 1.00 0.00 C ATOM 1219 CG ARG A 77 7.205 -5.649 0.592 1.00 0.00 C ATOM 1220 CD ARG A 77 8.030 -6.384 1.634 1.00 0.00 C ATOM 1221 NE ARG A 77 9.127 -7.137 1.032 1.00 0.00 N ATOM 1222 CZ ARG A 77 9.755 -8.144 1.635 1.00 0.00 C ATOM 1223 NH1 ARG A 77 9.398 -8.523 2.856 1.00 0.00 N ATOM 1224 NH2 ARG A 77 10.743 -8.775 1.015 1.00 0.00 N ATOM 0 H ARG A 77 7.151 -2.077 -0.427 1.00 0.00 H new ATOM 0 HA ARG A 77 5.170 -4.271 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.434 -3.732 1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.990 -4.596 2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.398 -6.294 0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.828 -5.424 -0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.432 -5.667 2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.387 -7.064 2.192 1.00 0.00 H new ATOM 0 HE ARG A 77 9.430 -6.876 0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.638 -8.042 3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.883 -9.295 3.313 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.021 -8.489 0.076 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.224 -9.547 1.477 1.00 0.00 H new ATOM 1238 N PHE A 78 3.678 -2.920 1.088 1.00 0.00 N ATOM 1239 CA PHE A 78 2.737 -2.043 1.767 1.00 0.00 C ATOM 1240 C PHE A 78 2.519 -2.574 3.175 1.00 0.00 C ATOM 1241 O PHE A 78 2.411 -3.781 3.368 1.00 0.00 O ATOM 1242 CB PHE A 78 1.415 -1.966 0.997 1.00 0.00 C ATOM 1243 CG PHE A 78 1.487 -1.112 -0.238 1.00 0.00 C ATOM 1244 CD1 PHE A 78 2.486 -1.310 -1.178 1.00 0.00 C ATOM 1245 CD2 PHE A 78 0.556 -0.111 -0.457 1.00 0.00 C ATOM 1246 CE1 PHE A 78 2.553 -0.525 -2.314 1.00 0.00 C ATOM 1247 CE2 PHE A 78 0.617 0.676 -1.590 1.00 0.00 C ATOM 1248 CZ PHE A 78 1.617 0.471 -2.520 1.00 0.00 C ATOM 0 H PHE A 78 3.296 -3.832 0.837 1.00 0.00 H new ATOM 0 HA PHE A 78 3.140 -1.031 1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.109 -2.973 0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.642 -1.572 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.220 -2.086 -1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.228 0.056 0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.336 -0.690 -3.040 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.117 1.452 -1.749 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.668 1.087 -3.406 1.00 0.00 H new ATOM 1258 N PHE A 79 2.518 -1.691 4.164 1.00 0.00 N ATOM 1259 CA PHE A 79 2.370 -2.126 5.554 1.00 0.00 C ATOM 1260 C PHE A 79 1.518 -1.153 6.359 1.00 0.00 C ATOM 1261 O PHE A 79 1.630 0.062 6.201 1.00 0.00 O ATOM 1262 CB PHE A 79 3.760 -2.289 6.185 1.00 0.00 C ATOM 1263 CG PHE A 79 4.860 -2.224 5.161 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.654 -3.324 4.883 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.068 -1.057 4.454 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.635 -3.255 3.915 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.045 -0.976 3.486 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.828 -2.083 3.216 1.00 0.00 C ATOM 0 H PHE A 79 2.616 -0.684 4.038 1.00 0.00 H new ATOM 0 HA PHE A 79 1.853 -3.085 5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.913 -1.508 6.930 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.810 -3.244 6.709 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.504 -4.244 5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.455 -0.193 4.663 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.250 -4.118 3.706 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.198 -0.055 2.943 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.593 -2.029 2.455 1.00 0.00 H new ATOM 1278 N LEU A 80 0.661 -1.695 7.221 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.214 -0.863 8.041 1.00 0.00 C ATOM 1280 C LEU A 80 0.424 -0.556 9.391 1.00 0.00 C ATOM 1281 O LEU A 80 0.771 -1.463 10.148 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.562 -1.558 8.244 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.789 -0.684 7.981 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -2.872 0.447 8.995 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.761 -0.139 6.560 1.00 0.00 C ATOM 0 H LEU A 80 0.554 -2.699 7.369 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.371 0.080 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.607 -2.427 7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.612 -1.928 9.268 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.681 -1.301 8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.752 1.056 8.789 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.946 0.030 10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.978 1.066 8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.642 0.481 6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.862 0.461 6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.759 -0.968 5.852 1.00 0.00 H new ATOM 1297 N ARG A 81 0.573 0.733 9.686 1.00 0.00 N ATOM 1298 CA ARG A 81 1.168 1.168 10.945 1.00 0.00 C ATOM 1299 C ARG A 81 0.132 1.854 11.829 1.00 0.00 C ATOM 1300 O ARG A 81 -0.603 2.731 11.374 1.00 0.00 O ATOM 1301 CB ARG A 81 2.336 2.119 10.676 1.00 0.00 C ATOM 1302 CG ARG A 81 3.413 1.523 9.786 1.00 0.00 C ATOM 1303 CD ARG A 81 4.586 0.999 10.601 1.00 0.00 C ATOM 1304 NE ARG A 81 4.451 -0.424 10.906 1.00 0.00 N ATOM 1305 CZ ARG A 81 3.859 -0.899 12.002 1.00 0.00 C ATOM 1306 NH1 ARG A 81 3.335 -0.073 12.899 1.00 0.00 N ATOM 1307 NH2 ARG A 81 3.788 -2.209 12.200 1.00 0.00 N ATOM 0 H ARG A 81 0.289 1.494 9.069 1.00 0.00 H new ATOM 0 HA ARG A 81 1.537 0.286 11.469 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.954 3.028 10.211 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.782 2.411 11.627 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.989 0.712 9.194 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.765 2.279 9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.512 1.165 10.051 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.662 1.563 11.531 1.00 0.00 H new ATOM 0 HE ARG A 81 4.833 -1.095 10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.383 0.935 12.753 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.884 -0.447 13.734 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.186 -2.851 11.514 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.335 -2.574 13.038 1.00 0.00 H new