USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 430 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 13 THR OG1 : rot 180:sc= 0.537 USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 1 ARG N :NH3+ 171:sc= 0.291 (180deg=0.252) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0807 USER MOD Single : A 5 ASN : amide:sc= -3.07! C(o=-3.1!,f=-2.9!) USER MOD Single : A 6 HIS : no HD1:sc= -5.93! C(o=-5.9!,f=-10!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00404 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.42! X(o=-1.4!,f=-1.3) USER MOD Single : A 21 SER OG : rot -178:sc= -1.17! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 139:sc= -2.39! (180deg=-4.93!) USER MOD Single : A 25 ASN : amide:sc= -6.62! C(o=-6.6!,f=-9.2!) USER MOD Single : A 28 THR OG1 : rot -120:sc= -0.202 USER MOD Single : A 31 ASN : amide:sc= -9.09! C(o=-9.1!,f=-15!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00844 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.281 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -12.2! C(o=-12!,f=-21!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.291 14.056 3.099 1.00 0.00 N ATOM 2 CA ARG A 1 2.183 13.297 1.821 1.00 0.00 C ATOM 3 C ARG A 1 0.913 12.433 1.848 1.00 0.00 C ATOM 4 O ARG A 1 0.520 11.936 2.883 1.00 0.00 O ATOM 5 CB ARG A 1 3.411 12.396 1.663 1.00 0.00 C ATOM 6 CG ARG A 1 4.304 12.932 0.541 1.00 0.00 C ATOM 7 CD ARG A 1 3.869 12.340 -0.804 1.00 0.00 C ATOM 8 NE ARG A 1 4.227 10.893 -0.855 1.00 0.00 N ATOM 9 CZ ARG A 1 3.419 9.980 -0.373 1.00 0.00 C ATOM 10 NH1 ARG A 1 2.151 10.234 -0.175 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.883 8.798 -0.091 1.00 0.00 N ATOM 0 H1 ARG A 1 3.220 14.521 3.149 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.541 14.775 3.140 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.188 13.402 3.901 1.00 0.00 H new ATOM 0 HA ARG A 1 2.131 13.993 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.969 12.359 2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.099 11.376 1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 1 4.244 14.020 0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 1 5.345 12.677 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 1 2.794 12.464 -0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.354 12.874 -1.621 1.00 0.00 H new ATOM 0 HE ARG A 1 5.114 10.609 -1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 1 1.775 11.156 -0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 1 1.539 9.510 0.201 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.869 8.587 -0.245 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.261 8.082 0.284 1.00 0.00 H new ATOM 27 N ILE A 2 0.264 12.248 0.724 1.00 0.00 N ATOM 28 CA ILE A 2 -0.977 11.414 0.721 1.00 0.00 C ATOM 29 C ILE A 2 -0.828 10.241 -0.218 1.00 0.00 C ATOM 30 O ILE A 2 -0.749 10.405 -1.418 1.00 0.00 O ATOM 31 CB ILE A 2 -2.161 12.230 0.229 1.00 0.00 C ATOM 32 CG1 ILE A 2 -2.165 13.562 0.957 1.00 0.00 C ATOM 33 CG2 ILE A 2 -3.456 11.464 0.516 1.00 0.00 C ATOM 34 CD1 ILE A 2 -1.983 14.703 -0.045 1.00 0.00 C ATOM 0 H ILE A 2 0.536 12.633 -0.180 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.139 11.070 1.743 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.086 12.403 -0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.103 13.688 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.365 13.585 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.308 12.046 0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.434 10.505 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.549 11.296 1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.987 15.656 0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.034 14.581 -0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.799 14.686 -0.768 1.00 0.00 H new ATOM 46 N CYS A 3 -0.831 9.055 0.296 1.00 0.00 N ATOM 47 CA CYS A 3 -0.735 7.900 -0.609 1.00 0.00 C ATOM 48 C CYS A 3 -2.052 7.121 -0.547 1.00 0.00 C ATOM 49 O CYS A 3 -2.980 7.521 0.128 1.00 0.00 O ATOM 50 CB CYS A 3 0.432 7.010 -0.199 1.00 0.00 C ATOM 51 SG CYS A 3 1.045 6.159 -1.661 1.00 0.00 S ATOM 0 H CYS A 3 -0.895 8.839 1.291 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.559 8.239 -1.630 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.224 7.608 0.251 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.112 6.288 0.553 1.00 0.00 H new ATOM 56 N TYR A 4 -2.155 6.014 -1.233 1.00 0.00 N ATOM 57 CA TYR A 4 -3.427 5.240 -1.179 1.00 0.00 C ATOM 58 C TYR A 4 -3.320 4.207 -0.069 1.00 0.00 C ATOM 59 O TYR A 4 -2.275 3.623 0.138 1.00 0.00 O ATOM 60 CB TYR A 4 -3.680 4.498 -2.498 1.00 0.00 C ATOM 61 CG TYR A 4 -4.285 5.424 -3.520 1.00 0.00 C ATOM 62 CD1 TYR A 4 -3.544 6.495 -4.027 1.00 0.00 C ATOM 63 CD2 TYR A 4 -5.591 5.200 -3.969 1.00 0.00 C ATOM 64 CE1 TYR A 4 -4.111 7.346 -4.982 1.00 0.00 C ATOM 65 CE2 TYR A 4 -6.158 6.051 -4.922 1.00 0.00 C ATOM 66 CZ TYR A 4 -5.418 7.124 -5.430 1.00 0.00 C ATOM 67 OH TYR A 4 -5.976 7.963 -6.373 1.00 0.00 O ATOM 0 H TYR A 4 -1.423 5.617 -1.821 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.247 5.935 -1.000 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.743 4.091 -2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.347 3.654 -2.324 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.535 6.666 -3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.161 4.370 -3.579 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.540 8.175 -5.374 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.167 5.880 -5.266 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.888 7.668 -6.574 1.00 0.00 H new ATOM 77 N ASN A 5 -4.396 3.971 0.630 1.00 0.00 N ATOM 78 CA ASN A 5 -4.389 2.964 1.722 1.00 0.00 C ATOM 79 C ASN A 5 -5.295 1.792 1.309 1.00 0.00 C ATOM 80 O ASN A 5 -5.153 0.681 1.779 1.00 0.00 O ATOM 81 CB ASN A 5 -4.914 3.621 3.010 1.00 0.00 C ATOM 82 CG ASN A 5 -5.631 2.591 3.888 1.00 0.00 C ATOM 83 OD1 ASN A 5 -6.687 2.860 4.424 1.00 0.00 O ATOM 84 ND2 ASN A 5 -5.096 1.414 4.056 1.00 0.00 N ATOM 0 H ASN A 5 -5.290 4.441 0.487 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.380 2.594 1.902 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.085 4.064 3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.598 4.431 2.758 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.564 0.719 4.638 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.209 1.188 3.606 1.00 0.00 H new ATOM 91 N HIS A 6 -6.244 2.048 0.449 1.00 0.00 N ATOM 92 CA HIS A 6 -7.187 0.976 0.024 1.00 0.00 C ATOM 93 C HIS A 6 -6.433 -0.241 -0.531 1.00 0.00 C ATOM 94 O HIS A 6 -5.426 -0.115 -1.200 1.00 0.00 O ATOM 95 CB HIS A 6 -8.150 1.542 -1.034 1.00 0.00 C ATOM 96 CG HIS A 6 -7.537 1.455 -2.407 1.00 0.00 C ATOM 97 ND1 HIS A 6 -6.489 2.270 -2.801 1.00 0.00 N ATOM 98 CD2 HIS A 6 -7.821 0.660 -3.489 1.00 0.00 C ATOM 99 CE1 HIS A 6 -6.183 1.951 -4.072 1.00 0.00 C ATOM 100 NE2 HIS A 6 -6.965 0.975 -4.540 1.00 0.00 N ATOM 0 H HIS A 6 -6.407 2.959 0.021 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.754 0.641 0.893 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.089 0.988 -1.013 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.387 2.580 -0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.592 -0.096 -3.520 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.400 2.427 -4.644 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.940 0.552 -5.468 1.00 0.00 H new ATOM 108 N LEU A 7 -6.926 -1.422 -0.251 1.00 0.00 N ATOM 109 CA LEU A 7 -6.264 -2.660 -0.750 1.00 0.00 C ATOM 110 C LEU A 7 -6.815 -3.027 -2.132 1.00 0.00 C ATOM 111 O LEU A 7 -7.997 -2.914 -2.387 1.00 0.00 O ATOM 112 CB LEU A 7 -6.552 -3.813 0.217 1.00 0.00 C ATOM 113 CG LEU A 7 -5.614 -3.728 1.420 1.00 0.00 C ATOM 114 CD1 LEU A 7 -5.880 -2.428 2.184 1.00 0.00 C ATOM 115 CD2 LEU A 7 -5.865 -4.921 2.343 1.00 0.00 C ATOM 0 H LEU A 7 -7.766 -1.579 0.307 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.190 -2.486 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.589 -3.770 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.420 -4.768 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.579 -3.742 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.211 -2.367 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.705 -1.577 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.914 -2.413 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.197 -4.863 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.900 -4.904 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.678 -5.847 1.800 1.00 0.00 H new ATOM 127 N GLY A 8 -5.960 -3.484 -3.011 1.00 0.00 N ATOM 128 CA GLY A 8 -6.408 -3.886 -4.384 1.00 0.00 C ATOM 129 C GLY A 8 -7.550 -2.984 -4.873 1.00 0.00 C ATOM 130 O GLY A 8 -7.441 -1.774 -4.879 1.00 0.00 O ATOM 0 H GLY A 8 -4.961 -3.598 -2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.569 -3.825 -5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.738 -4.925 -4.374 1.00 0.00 H new ATOM 134 N THR A 9 -8.640 -3.574 -5.292 1.00 0.00 N ATOM 135 CA THR A 9 -9.790 -2.763 -5.794 1.00 0.00 C ATOM 136 C THR A 9 -10.969 -2.878 -4.823 1.00 0.00 C ATOM 137 O THR A 9 -12.085 -2.521 -5.141 1.00 0.00 O ATOM 138 CB THR A 9 -10.214 -3.284 -7.168 1.00 0.00 C ATOM 139 OG1 THR A 9 -10.030 -4.693 -7.215 1.00 0.00 O ATOM 140 CG2 THR A 9 -9.365 -2.620 -8.252 1.00 0.00 C ATOM 0 H THR A 9 -8.784 -4.584 -5.308 1.00 0.00 H new ATOM 0 HA THR A 9 -9.488 -1.719 -5.872 1.00 0.00 H new ATOM 0 HB THR A 9 -11.264 -3.048 -7.339 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.303 -5.029 -8.094 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.668 -2.992 -9.231 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.507 -1.540 -8.215 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.314 -2.854 -8.085 1.00 0.00 H new ATOM 148 N LYS A 10 -10.725 -3.369 -3.640 1.00 0.00 N ATOM 149 CA LYS A 10 -11.817 -3.508 -2.634 1.00 0.00 C ATOM 150 C LYS A 10 -12.513 -2.138 -2.458 1.00 0.00 C ATOM 151 O LYS A 10 -12.245 -1.226 -3.215 1.00 0.00 O ATOM 152 CB LYS A 10 -11.182 -4.004 -1.328 1.00 0.00 C ATOM 153 CG LYS A 10 -11.765 -5.369 -0.951 1.00 0.00 C ATOM 154 CD LYS A 10 -10.951 -5.971 0.195 1.00 0.00 C ATOM 155 CE LYS A 10 -11.860 -6.187 1.406 1.00 0.00 C ATOM 156 NZ LYS A 10 -11.381 -5.347 2.541 1.00 0.00 N ATOM 0 H LYS A 10 -9.808 -3.683 -3.324 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.576 -4.223 -2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.101 -4.080 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.366 -3.287 -0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.808 -5.261 -0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.747 -6.035 -1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.510 -6.918 -0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.127 -5.307 0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.888 -5.926 1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.859 -7.239 1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.998 -5.493 3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.407 -5.617 2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.403 -4.345 2.265 1.00 0.00 H new ATOM 170 N PRO A 11 -13.399 -2.024 -1.483 1.00 0.00 N ATOM 171 CA PRO A 11 -14.154 -0.763 -1.226 1.00 0.00 C ATOM 172 C PRO A 11 -13.441 0.348 -0.381 1.00 0.00 C ATOM 173 O PRO A 11 -14.073 1.348 -0.103 1.00 0.00 O ATOM 174 CB PRO A 11 -15.386 -1.257 -0.463 1.00 0.00 C ATOM 175 CG PRO A 11 -15.003 -2.614 0.176 1.00 0.00 C ATOM 176 CD PRO A 11 -13.767 -3.135 -0.582 1.00 0.00 C ATOM 0 HA PRO A 11 -14.326 -0.259 -2.177 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.680 -0.539 0.302 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.236 -1.373 -1.135 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.782 -2.492 1.236 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.828 -3.322 0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.954 -3.379 0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.996 -4.042 -1.141 1.00 0.00 H new ATOM 184 N PRO A 12 -12.190 0.198 0.014 1.00 0.00 N ATOM 185 CA PRO A 12 -11.503 1.235 0.808 1.00 0.00 C ATOM 186 C PRO A 12 -11.063 2.393 -0.089 1.00 0.00 C ATOM 187 O PRO A 12 -11.422 2.458 -1.248 1.00 0.00 O ATOM 188 CB PRO A 12 -10.318 0.493 1.428 1.00 0.00 C ATOM 189 CG PRO A 12 -10.078 -0.751 0.547 1.00 0.00 C ATOM 190 CD PRO A 12 -11.355 -0.967 -0.273 1.00 0.00 C ATOM 0 HA PRO A 12 -12.135 1.691 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.432 1.128 1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.534 0.205 2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.219 -0.601 -0.107 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.861 -1.624 1.162 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.133 -1.041 -1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.856 -1.892 0.013 1.00 0.00 H new ATOM 198 N THR A 13 -10.318 3.327 0.436 1.00 0.00 N ATOM 199 CA THR A 13 -9.906 4.489 -0.404 1.00 0.00 C ATOM 200 C THR A 13 -8.470 4.906 -0.093 1.00 0.00 C ATOM 201 O THR A 13 -7.681 4.140 0.424 1.00 0.00 O ATOM 202 CB THR A 13 -10.834 5.668 -0.113 1.00 0.00 C ATOM 203 OG1 THR A 13 -10.573 6.716 -1.036 1.00 0.00 O ATOM 204 CG2 THR A 13 -10.586 6.164 1.311 1.00 0.00 C ATOM 0 H THR A 13 -9.980 3.338 1.398 1.00 0.00 H new ATOM 0 HA THR A 13 -9.968 4.198 -1.453 1.00 0.00 H new ATOM 0 HB THR A 13 -11.872 5.351 -0.213 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.169 7.471 -0.851 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.246 7.005 1.523 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.787 5.358 2.017 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.548 6.483 1.410 1.00 0.00 H new ATOM 212 N THR A 14 -8.135 6.126 -0.415 1.00 0.00 N ATOM 213 CA THR A 14 -6.757 6.623 -0.157 1.00 0.00 C ATOM 214 C THR A 14 -6.603 7.007 1.311 1.00 0.00 C ATOM 215 O THR A 14 -7.538 6.966 2.086 1.00 0.00 O ATOM 216 CB THR A 14 -6.488 7.860 -1.015 1.00 0.00 C ATOM 217 OG1 THR A 14 -7.540 8.797 -0.835 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.407 7.457 -2.481 1.00 0.00 C ATOM 0 H THR A 14 -8.763 6.803 -0.849 1.00 0.00 H new ATOM 0 HA THR A 14 -6.050 5.832 -0.405 1.00 0.00 H new ATOM 0 HB THR A 14 -5.543 8.313 -0.714 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.368 9.591 -1.383 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.215 8.340 -3.091 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.598 6.739 -2.617 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.350 7.003 -2.786 1.00 0.00 H new ATOM 226 N GLU A 15 -5.421 7.398 1.685 1.00 0.00 N ATOM 227 CA GLU A 15 -5.168 7.813 3.092 1.00 0.00 C ATOM 228 C GLU A 15 -3.981 8.774 3.109 1.00 0.00 C ATOM 229 O GLU A 15 -3.131 8.731 2.243 1.00 0.00 O ATOM 230 CB GLU A 15 -4.839 6.587 3.948 1.00 0.00 C ATOM 231 CG GLU A 15 -6.127 5.978 4.512 1.00 0.00 C ATOM 232 CD GLU A 15 -6.940 7.062 5.224 1.00 0.00 C ATOM 233 OE1 GLU A 15 -6.532 7.473 6.297 1.00 0.00 O ATOM 234 OE2 GLU A 15 -7.958 7.462 4.682 1.00 0.00 O ATOM 0 H GLU A 15 -4.609 7.449 1.070 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.056 8.299 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.310 5.847 3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.174 6.871 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.716 5.538 3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.887 5.174 5.208 1.00 0.00 H new ATOM 241 N THR A 16 -3.906 9.635 4.082 1.00 0.00 N ATOM 242 CA THR A 16 -2.759 10.580 4.129 1.00 0.00 C ATOM 243 C THR A 16 -1.741 10.093 5.155 1.00 0.00 C ATOM 244 O THR A 16 -2.084 9.640 6.229 1.00 0.00 O ATOM 245 CB THR A 16 -3.242 11.971 4.534 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.567 12.170 4.060 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.316 13.032 3.938 1.00 0.00 C ATOM 0 H THR A 16 -4.582 9.726 4.840 1.00 0.00 H new ATOM 0 HA THR A 16 -2.301 10.628 3.141 1.00 0.00 H new ATOM 0 HB THR A 16 -3.230 12.056 5.621 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.877 13.062 4.321 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.664 14.023 4.229 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.302 12.880 4.308 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.321 12.950 2.851 1.00 0.00 H new ATOM 255 N CYS A 17 -0.492 10.193 4.826 1.00 0.00 N ATOM 256 CA CYS A 17 0.571 9.752 5.765 1.00 0.00 C ATOM 257 C CYS A 17 1.735 10.736 5.684 1.00 0.00 C ATOM 258 O CYS A 17 1.839 11.509 4.752 1.00 0.00 O ATOM 259 CB CYS A 17 1.045 8.352 5.374 1.00 0.00 C ATOM 260 SG CYS A 17 -0.391 7.330 4.962 1.00 0.00 S ATOM 0 H CYS A 17 -0.155 10.565 3.938 1.00 0.00 H new ATOM 0 HA CYS A 17 0.185 9.724 6.784 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.722 8.409 4.522 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.603 7.902 6.195 1.00 0.00 H new ATOM 265 N GLN A 18 2.610 10.725 6.645 1.00 0.00 N ATOM 266 CA GLN A 18 3.754 11.674 6.602 1.00 0.00 C ATOM 267 C GLN A 18 4.886 11.086 5.794 1.00 0.00 C ATOM 268 O GLN A 18 5.689 11.791 5.217 1.00 0.00 O ATOM 269 CB GLN A 18 4.288 11.911 7.994 1.00 0.00 C ATOM 270 CG GLN A 18 5.427 12.925 7.896 1.00 0.00 C ATOM 271 CD GLN A 18 4.928 14.178 7.166 1.00 0.00 C ATOM 272 OE1 GLN A 18 4.565 15.156 7.790 1.00 0.00 O ATOM 273 NE2 GLN A 18 4.895 14.186 5.857 1.00 0.00 N ATOM 0 H GLN A 18 2.585 10.105 7.454 1.00 0.00 H new ATOM 0 HA GLN A 18 3.397 12.603 6.158 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.499 12.286 8.646 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.645 10.978 8.429 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.782 13.188 8.892 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.271 12.490 7.361 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.200 13.365 5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.565 15.013 5.360 1.00 0.00 H new ATOM 282 N GLU A 19 4.977 9.801 5.773 1.00 0.00 N ATOM 283 CA GLU A 19 6.096 9.180 5.021 1.00 0.00 C ATOM 284 C GLU A 19 5.918 9.509 3.546 1.00 0.00 C ATOM 285 O GLU A 19 4.887 9.253 2.956 1.00 0.00 O ATOM 286 CB GLU A 19 6.130 7.650 5.186 1.00 0.00 C ATOM 287 CG GLU A 19 5.224 7.196 6.336 1.00 0.00 C ATOM 288 CD GLU A 19 5.644 7.897 7.629 1.00 0.00 C ATOM 289 OE1 GLU A 19 6.837 8.016 7.855 1.00 0.00 O ATOM 290 OE2 GLU A 19 4.765 8.303 8.372 1.00 0.00 O ATOM 0 H GLU A 19 4.338 9.154 6.235 1.00 0.00 H new ATOM 0 HA GLU A 19 7.032 9.577 5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.811 7.174 4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.153 7.325 5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.184 7.428 6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.290 6.115 6.459 1.00 0.00 H new ATOM 297 N ASP A 20 6.923 10.073 2.945 1.00 0.00 N ATOM 298 CA ASP A 20 6.820 10.418 1.497 1.00 0.00 C ATOM 299 C ASP A 20 6.920 9.137 0.683 1.00 0.00 C ATOM 300 O ASP A 20 6.827 9.151 -0.528 1.00 0.00 O ATOM 301 CB ASP A 20 7.931 11.388 1.056 1.00 0.00 C ATOM 302 CG ASP A 20 9.011 11.517 2.135 1.00 0.00 C ATOM 303 OD1 ASP A 20 9.346 10.509 2.734 1.00 0.00 O ATOM 304 OD2 ASP A 20 9.484 12.623 2.342 1.00 0.00 O ATOM 0 H ASP A 20 7.810 10.311 3.388 1.00 0.00 H new ATOM 0 HA ASP A 20 5.863 10.913 1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.380 11.034 0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.501 12.368 0.848 1.00 0.00 H new ATOM 309 N SER A 21 7.098 8.020 1.335 1.00 0.00 N ATOM 310 CA SER A 21 7.190 6.748 0.589 1.00 0.00 C ATOM 311 C SER A 21 5.770 6.260 0.286 1.00 0.00 C ATOM 312 O SER A 21 4.803 6.780 0.801 1.00 0.00 O ATOM 313 CB SER A 21 7.917 5.700 1.436 1.00 0.00 C ATOM 314 OG SER A 21 8.143 6.223 2.738 1.00 0.00 O ATOM 0 H SER A 21 7.183 7.940 2.348 1.00 0.00 H new ATOM 0 HA SER A 21 7.744 6.901 -0.337 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.323 4.788 1.496 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.865 5.433 0.969 1.00 0.00 H new ATOM 0 HG SER A 21 8.635 5.566 3.274 1.00 0.00 H new ATOM 320 N CYS A 22 5.638 5.261 -0.534 1.00 0.00 N ATOM 321 CA CYS A 22 4.298 4.725 -0.875 1.00 0.00 C ATOM 322 C CYS A 22 4.472 3.225 -1.023 1.00 0.00 C ATOM 323 O CYS A 22 5.259 2.782 -1.826 1.00 0.00 O ATOM 324 CB CYS A 22 3.849 5.324 -2.203 1.00 0.00 C ATOM 325 SG CYS A 22 2.921 6.833 -1.885 1.00 0.00 S ATOM 0 H CYS A 22 6.416 4.785 -0.990 1.00 0.00 H new ATOM 0 HA CYS A 22 3.554 4.966 -0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.714 5.540 -2.830 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.231 4.610 -2.748 1.00 0.00 H new ATOM 330 N TYR A 23 3.787 2.425 -0.266 1.00 0.00 N ATOM 331 CA TYR A 23 4.025 0.968 -0.415 1.00 0.00 C ATOM 332 C TYR A 23 2.804 0.246 -0.934 1.00 0.00 C ATOM 333 O TYR A 23 1.678 0.457 -0.516 1.00 0.00 O ATOM 334 CB TYR A 23 4.533 0.331 0.899 1.00 0.00 C ATOM 335 CG TYR A 23 3.443 0.177 1.936 1.00 0.00 C ATOM 336 CD1 TYR A 23 2.736 1.285 2.415 1.00 0.00 C ATOM 337 CD2 TYR A 23 3.162 -1.094 2.439 1.00 0.00 C ATOM 338 CE1 TYR A 23 1.746 1.113 3.389 1.00 0.00 C ATOM 339 CE2 TYR A 23 2.172 -1.267 3.411 1.00 0.00 C ATOM 340 CZ TYR A 23 1.462 -0.162 3.886 1.00 0.00 C ATOM 341 OH TYR A 23 0.483 -0.329 4.845 1.00 0.00 O ATOM 0 H TYR A 23 3.094 2.702 0.429 1.00 0.00 H new ATOM 0 HA TYR A 23 4.812 0.855 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.962 -0.647 0.681 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.334 0.946 1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.954 2.272 2.034 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.712 -1.949 2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.200 1.968 3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.957 -2.254 3.794 1.00 0.00 H new ATOM 0 HH TYR A 23 0.413 -1.278 5.079 1.00 0.00 H new ATOM 351 N LYS A 24 3.058 -0.613 -1.871 1.00 0.00 N ATOM 352 CA LYS A 24 1.976 -1.428 -2.487 1.00 0.00 C ATOM 353 C LYS A 24 2.365 -2.900 -2.368 1.00 0.00 C ATOM 354 O LYS A 24 3.246 -3.380 -3.052 1.00 0.00 O ATOM 355 CB LYS A 24 1.819 -1.061 -3.952 1.00 0.00 C ATOM 356 CG LYS A 24 0.623 -0.142 -4.085 1.00 0.00 C ATOM 357 CD LYS A 24 -0.099 -0.439 -5.396 1.00 0.00 C ATOM 358 CE LYS A 24 0.892 -0.315 -6.553 1.00 0.00 C ATOM 359 NZ LYS A 24 1.575 -1.623 -6.766 1.00 0.00 N ATOM 0 H LYS A 24 3.989 -0.791 -2.247 1.00 0.00 H new ATOM 0 HA LYS A 24 1.031 -1.240 -1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.719 -0.568 -4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.678 -1.958 -4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.055 -0.284 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.946 0.899 -4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.525 -1.442 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.927 0.256 -5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.371 -0.013 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.627 0.460 -6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.662 -1.807 -7.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.522 -1.594 -6.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.018 -2.382 -6.323 1.00 0.00 H new ATOM 373 N ASN A 25 1.739 -3.604 -1.476 1.00 0.00 N ATOM 374 CA ASN A 25 2.096 -5.039 -1.267 1.00 0.00 C ATOM 375 C ASN A 25 0.915 -5.945 -1.624 1.00 0.00 C ATOM 376 O ASN A 25 -0.211 -5.505 -1.733 1.00 0.00 O ATOM 377 CB ASN A 25 2.502 -5.237 0.204 1.00 0.00 C ATOM 378 CG ASN A 25 1.777 -4.204 1.072 1.00 0.00 C ATOM 379 OD1 ASN A 25 0.967 -4.553 1.908 1.00 0.00 O ATOM 380 ND2 ASN A 25 2.045 -2.937 0.905 1.00 0.00 N ATOM 0 H ASN A 25 0.992 -3.252 -0.877 1.00 0.00 H new ATOM 0 HA ASN A 25 2.929 -5.307 -1.917 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.249 -6.246 0.531 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.581 -5.128 0.313 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.574 -2.236 1.477 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.725 -2.648 0.202 1.00 0.00 H new ATOM 387 N ILE A 26 1.175 -7.212 -1.818 1.00 0.00 N ATOM 388 CA ILE A 26 0.081 -8.159 -2.184 1.00 0.00 C ATOM 389 C ILE A 26 -0.200 -9.108 -1.018 1.00 0.00 C ATOM 390 O ILE A 26 -1.130 -9.888 -1.051 1.00 0.00 O ATOM 391 CB ILE A 26 0.488 -8.970 -3.422 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.572 -10.000 -3.053 1.00 0.00 C ATOM 393 CG2 ILE A 26 1.014 -8.027 -4.506 1.00 0.00 C ATOM 394 CD1 ILE A 26 2.946 -9.326 -2.936 1.00 0.00 C ATOM 0 H ILE A 26 2.101 -7.632 -1.738 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.821 -7.589 -2.407 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.386 -9.501 -3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.316 -10.481 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.609 -10.783 -3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.302 -8.606 -5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.234 -7.317 -4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.881 -7.486 -4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.696 -10.072 -2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.208 -8.866 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.911 -8.560 -2.161 1.00 0.00 H new ATOM 406 N TRP A 27 0.599 -9.051 0.009 1.00 0.00 N ATOM 407 CA TRP A 27 0.380 -9.951 1.175 1.00 0.00 C ATOM 408 C TRP A 27 -0.876 -9.514 1.929 1.00 0.00 C ATOM 409 O TRP A 27 -0.860 -8.562 2.684 1.00 0.00 O ATOM 410 CB TRP A 27 1.591 -9.865 2.100 1.00 0.00 C ATOM 411 CG TRP A 27 2.831 -10.022 1.280 1.00 0.00 C ATOM 412 CD1 TRP A 27 3.504 -9.009 0.688 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.549 -11.244 0.942 1.00 0.00 C ATOM 414 NE1 TRP A 27 4.588 -9.531 0.005 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.660 -10.905 0.134 1.00 0.00 C ATOM 416 CE3 TRP A 27 3.347 -12.600 1.254 1.00 0.00 C ATOM 417 CZ2 TRP A 27 5.539 -11.877 -0.347 1.00 0.00 C ATOM 418 CZ3 TRP A 27 4.228 -13.581 0.772 1.00 0.00 C ATOM 419 CH2 TRP A 27 5.322 -13.220 -0.027 1.00 0.00 C ATOM 0 H TRP A 27 1.396 -8.419 0.092 1.00 0.00 H new ATOM 0 HA TRP A 27 0.251 -10.978 0.832 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.601 -8.908 2.621 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.541 -10.643 2.862 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.239 -7.963 0.740 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.253 -8.970 -0.528 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.508 -12.889 1.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.380 -11.593 -0.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.062 -14.619 1.018 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.996 -13.979 -0.395 1.00 0.00 H new ATOM 430 N THR A 28 -1.967 -10.200 1.730 1.00 0.00 N ATOM 431 CA THR A 28 -3.221 -9.817 2.435 1.00 0.00 C ATOM 432 C THR A 28 -4.121 -11.048 2.586 1.00 0.00 C ATOM 433 O THR A 28 -3.788 -12.131 2.150 1.00 0.00 O ATOM 434 CB THR A 28 -3.940 -8.728 1.626 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.807 -8.000 2.485 1.00 0.00 O ATOM 436 CG2 THR A 28 -4.753 -9.357 0.490 1.00 0.00 C ATOM 0 H THR A 28 -2.044 -11.007 1.111 1.00 0.00 H new ATOM 0 HA THR A 28 -2.986 -9.431 3.427 1.00 0.00 H new ATOM 0 HB THR A 28 -3.197 -8.057 1.195 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.729 -8.079 2.163 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.257 -8.572 -0.074 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.086 -9.909 -0.172 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.495 -10.038 0.907 1.00 0.00 H new ATOM 444 N PHE A 29 -5.260 -10.887 3.201 1.00 0.00 N ATOM 445 CA PHE A 29 -6.181 -12.045 3.379 1.00 0.00 C ATOM 446 C PHE A 29 -7.394 -11.874 2.460 1.00 0.00 C ATOM 447 O PHE A 29 -7.554 -12.586 1.489 1.00 0.00 O ATOM 448 CB PHE A 29 -6.651 -12.109 4.834 1.00 0.00 C ATOM 449 CG PHE A 29 -5.527 -12.613 5.709 1.00 0.00 C ATOM 450 CD1 PHE A 29 -4.942 -13.858 5.447 1.00 0.00 C ATOM 451 CD2 PHE A 29 -5.072 -11.838 6.781 1.00 0.00 C ATOM 452 CE1 PHE A 29 -3.902 -14.327 6.259 1.00 0.00 C ATOM 453 CE2 PHE A 29 -4.032 -12.307 7.593 1.00 0.00 C ATOM 454 CZ PHE A 29 -3.447 -13.551 7.332 1.00 0.00 C ATOM 0 H PHE A 29 -5.593 -10.004 3.588 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.657 -12.967 3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.970 -11.121 5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.515 -12.768 4.919 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.293 -14.456 4.619 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.523 -10.878 6.982 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.451 -15.287 6.058 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.681 -11.708 8.421 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.645 -13.913 7.958 1.00 0.00 H new ATOM 464 N ASP A 30 -8.250 -10.934 2.761 1.00 0.00 N ATOM 465 CA ASP A 30 -9.451 -10.717 1.906 1.00 0.00 C ATOM 466 C ASP A 30 -9.011 -10.228 0.525 1.00 0.00 C ATOM 467 O ASP A 30 -8.900 -10.996 -0.411 1.00 0.00 O ATOM 468 CB ASP A 30 -10.355 -9.667 2.554 1.00 0.00 C ATOM 469 CG ASP A 30 -11.329 -10.354 3.513 1.00 0.00 C ATOM 470 OD1 ASP A 30 -11.150 -11.534 3.762 1.00 0.00 O ATOM 471 OD2 ASP A 30 -12.238 -9.688 3.982 1.00 0.00 O ATOM 0 H ASP A 30 -8.169 -10.308 3.562 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.998 -11.654 1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.753 -8.936 3.093 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.906 -9.123 1.787 1.00 0.00 H new ATOM 476 N ASN A 31 -8.757 -8.955 0.390 1.00 0.00 N ATOM 477 CA ASN A 31 -8.323 -8.419 -0.931 1.00 0.00 C ATOM 478 C ASN A 31 -7.011 -9.087 -1.343 1.00 0.00 C ATOM 479 O ASN A 31 -6.745 -10.221 -0.999 1.00 0.00 O ATOM 480 CB ASN A 31 -8.113 -6.907 -0.824 1.00 0.00 C ATOM 481 CG ASN A 31 -8.578 -6.234 -2.117 1.00 0.00 C ATOM 482 OD1 ASN A 31 -7.895 -5.384 -2.652 1.00 0.00 O ATOM 483 ND2 ASN A 31 -9.720 -6.581 -2.645 1.00 0.00 N ATOM 0 H ASN A 31 -8.831 -8.264 1.136 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.089 -8.627 -1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.670 -6.511 0.025 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.060 -6.687 -0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.039 -6.138 -3.507 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.294 -7.295 -2.196 1.00 0.00 H new ATOM 490 N ILE A 32 -6.186 -8.390 -2.076 1.00 0.00 N ATOM 491 CA ILE A 32 -4.889 -8.982 -2.509 1.00 0.00 C ATOM 492 C ILE A 32 -3.784 -7.931 -2.395 1.00 0.00 C ATOM 493 O ILE A 32 -2.830 -8.094 -1.660 1.00 0.00 O ATOM 494 CB ILE A 32 -4.998 -9.433 -3.963 1.00 0.00 C ATOM 495 CG1 ILE A 32 -6.365 -10.078 -4.198 1.00 0.00 C ATOM 496 CG2 ILE A 32 -3.895 -10.446 -4.267 1.00 0.00 C ATOM 497 CD1 ILE A 32 -6.500 -11.323 -3.322 1.00 0.00 C ATOM 0 H ILE A 32 -6.355 -7.436 -2.394 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.652 -9.835 -1.874 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.888 -8.570 -4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.159 -9.368 -3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.476 -10.346 -5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.973 -10.768 -5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.921 -9.984 -4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.003 -11.309 -3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.474 -11.782 -3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.715 -12.034 -3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.407 -11.042 -2.273 1.00 0.00 H new ATOM 509 N ILE A 33 -3.906 -6.854 -3.122 1.00 0.00 N ATOM 510 CA ILE A 33 -2.863 -5.789 -3.061 1.00 0.00 C ATOM 511 C ILE A 33 -3.180 -4.823 -1.928 1.00 0.00 C ATOM 512 O ILE A 33 -4.316 -4.678 -1.520 1.00 0.00 O ATOM 513 CB ILE A 33 -2.831 -4.999 -4.372 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.350 -5.865 -5.521 1.00 0.00 C ATOM 515 CG2 ILE A 33 -1.396 -4.559 -4.665 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.591 -7.194 -5.555 1.00 0.00 C ATOM 0 H ILE A 33 -4.683 -6.665 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.897 -6.265 -2.894 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.470 -4.121 -4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.417 -6.049 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.225 -5.341 -6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.371 -3.996 -5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.035 -3.929 -3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.757 -5.438 -4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.966 -7.806 -6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.528 -7.002 -5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.738 -7.721 -4.613 1.00 0.00 H new ATOM 528 N ARG A 34 -2.190 -4.141 -1.435 1.00 0.00 N ATOM 529 CA ARG A 34 -2.443 -3.161 -0.350 1.00 0.00 C ATOM 530 C ARG A 34 -1.618 -1.910 -0.582 1.00 0.00 C ATOM 531 O ARG A 34 -0.416 -1.884 -0.407 1.00 0.00 O ATOM 532 CB ARG A 34 -2.093 -3.733 1.011 1.00 0.00 C ATOM 533 CG ARG A 34 -2.631 -2.781 2.082 1.00 0.00 C ATOM 534 CD ARG A 34 -2.804 -3.536 3.400 1.00 0.00 C ATOM 535 NE ARG A 34 -1.730 -3.135 4.353 1.00 0.00 N ATOM 536 CZ ARG A 34 -1.066 -4.046 5.009 1.00 0.00 C ATOM 537 NH1 ARG A 34 -0.318 -4.899 4.364 1.00 0.00 N ATOM 538 NH2 ARG A 34 -1.151 -4.106 6.309 1.00 0.00 N ATOM 0 H ARG A 34 -1.218 -4.219 -1.736 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.506 -2.922 -0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.529 -4.725 1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.013 -3.846 1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.945 -1.945 2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.585 -2.362 1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.783 -3.320 3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.764 -4.611 3.223 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.514 -2.148 4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.253 -4.853 3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.201 -5.612 4.877 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.737 -3.440 6.813 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.632 -4.819 6.822 1.00 0.00 H new ATOM 552 N ARG A 35 -2.278 -0.871 -0.957 1.00 0.00 N ATOM 553 CA ARG A 35 -1.594 0.419 -1.197 1.00 0.00 C ATOM 554 C ARG A 35 -1.548 1.189 0.118 1.00 0.00 C ATOM 555 O ARG A 35 -2.494 1.180 0.872 1.00 0.00 O ATOM 556 CB ARG A 35 -2.397 1.219 -2.222 1.00 0.00 C ATOM 557 CG ARG A 35 -2.536 0.413 -3.515 1.00 0.00 C ATOM 558 CD ARG A 35 -3.968 -0.113 -3.638 1.00 0.00 C ATOM 559 NE ARG A 35 -4.385 -0.096 -5.069 1.00 0.00 N ATOM 560 CZ ARG A 35 -3.529 -0.410 -6.003 1.00 0.00 C ATOM 561 NH1 ARG A 35 -2.650 -1.352 -5.793 1.00 0.00 N ATOM 562 NH2 ARG A 35 -3.551 0.219 -7.146 1.00 0.00 N ATOM 0 H ARG A 35 -3.286 -0.855 -1.112 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.583 0.254 -1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.383 1.454 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.901 2.168 -2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.292 1.038 -4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.831 -0.418 -3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.029 -1.127 -3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.644 0.502 -3.044 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.340 0.161 -5.319 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.632 -1.843 -4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.981 -1.597 -6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.237 0.956 -7.309 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.882 -0.026 -7.876 1.00 0.00 H new ATOM 576 N GLY A 36 -0.462 1.847 0.402 1.00 0.00 N ATOM 577 CA GLY A 36 -0.365 2.621 1.672 1.00 0.00 C ATOM 578 C GLY A 36 0.741 3.672 1.539 1.00 0.00 C ATOM 579 O GLY A 36 1.120 4.053 0.450 1.00 0.00 O ATOM 0 H GLY A 36 0.367 1.884 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.317 3.104 1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.148 1.951 2.504 1.00 0.00 H new ATOM 583 N CYS A 37 1.262 4.140 2.637 1.00 0.00 N ATOM 584 CA CYS A 37 2.346 5.166 2.574 1.00 0.00 C ATOM 585 C CYS A 37 3.526 4.681 3.412 1.00 0.00 C ATOM 586 O CYS A 37 3.363 4.255 4.539 1.00 0.00 O ATOM 587 CB CYS A 37 1.857 6.513 3.130 1.00 0.00 C ATOM 588 SG CYS A 37 0.046 6.585 3.138 1.00 0.00 S ATOM 0 H CYS A 37 0.986 3.858 3.578 1.00 0.00 H new ATOM 0 HA CYS A 37 2.641 5.306 1.534 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.236 6.653 4.142 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.255 7.328 2.525 1.00 0.00 H new ATOM 593 N GLY A 38 4.712 4.719 2.873 1.00 0.00 N ATOM 594 CA GLY A 38 5.880 4.233 3.645 1.00 0.00 C ATOM 595 C GLY A 38 5.944 2.724 3.474 1.00 0.00 C ATOM 596 O GLY A 38 4.933 2.068 3.363 1.00 0.00 O ATOM 0 H GLY A 38 4.919 5.064 1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.798 4.699 3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.780 4.496 4.698 1.00 0.00 H new ATOM 600 N CYS A 39 7.105 2.155 3.447 1.00 0.00 N ATOM 601 CA CYS A 39 7.173 0.680 3.273 1.00 0.00 C ATOM 602 C CYS A 39 6.479 0.028 4.466 1.00 0.00 C ATOM 603 O CYS A 39 6.426 0.586 5.543 1.00 0.00 O ATOM 604 CB CYS A 39 8.627 0.225 3.206 1.00 0.00 C ATOM 605 SG CYS A 39 9.542 1.260 2.041 1.00 0.00 S ATOM 0 H CYS A 39 8.001 2.634 3.536 1.00 0.00 H new ATOM 0 HA CYS A 39 6.681 0.390 2.345 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.082 0.285 4.195 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.677 -0.819 2.895 1.00 0.00 H new ATOM 610 N PHE A 40 5.928 -1.137 4.282 1.00 0.00 N ATOM 611 CA PHE A 40 5.217 -1.800 5.412 1.00 0.00 C ATOM 612 C PHE A 40 6.204 -2.140 6.540 1.00 0.00 C ATOM 613 O PHE A 40 7.400 -1.971 6.412 1.00 0.00 O ATOM 614 CB PHE A 40 4.522 -3.073 4.917 1.00 0.00 C ATOM 615 CG PHE A 40 5.449 -3.898 4.053 1.00 0.00 C ATOM 616 CD1 PHE A 40 6.818 -3.611 3.990 1.00 0.00 C ATOM 617 CD2 PHE A 40 4.928 -4.968 3.319 1.00 0.00 C ATOM 618 CE1 PHE A 40 7.661 -4.388 3.198 1.00 0.00 C ATOM 619 CE2 PHE A 40 5.776 -5.752 2.531 1.00 0.00 C ATOM 620 CZ PHE A 40 7.144 -5.461 2.472 1.00 0.00 C ATOM 0 H PHE A 40 5.938 -1.658 3.405 1.00 0.00 H new ATOM 0 HA PHE A 40 4.466 -1.115 5.804 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.191 -3.666 5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.631 -2.807 4.349 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.222 -2.785 4.557 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.872 -5.189 3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.715 -4.159 3.146 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.376 -6.582 1.968 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.799 -6.067 1.864 1.00 0.00 H new ATOM 630 N THR A 41 5.697 -2.570 7.666 1.00 0.00 N ATOM 631 CA THR A 41 6.587 -2.873 8.829 1.00 0.00 C ATOM 632 C THR A 41 7.341 -4.204 8.666 1.00 0.00 C ATOM 633 O THR A 41 8.525 -4.265 8.929 1.00 0.00 O ATOM 634 CB THR A 41 5.751 -2.924 10.110 1.00 0.00 C ATOM 635 OG1 THR A 41 4.677 -2.000 10.010 1.00 0.00 O ATOM 636 CG2 THR A 41 6.633 -2.560 11.305 1.00 0.00 C ATOM 0 H THR A 41 4.703 -2.725 7.832 1.00 0.00 H new ATOM 0 HA THR A 41 7.331 -2.078 8.882 1.00 0.00 H new ATOM 0 HB THR A 41 5.351 -3.929 10.247 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.140 -2.033 10.829 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.040 -2.595 12.219 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.457 -3.270 11.379 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.032 -1.555 11.170 1.00 0.00 H new ATOM 644 N PRO A 42 6.642 -5.236 8.274 1.00 0.00 N ATOM 645 CA PRO A 42 7.234 -6.572 8.113 1.00 0.00 C ATOM 646 C PRO A 42 7.965 -6.674 6.775 1.00 0.00 C ATOM 647 O PRO A 42 7.794 -7.620 6.032 1.00 0.00 O ATOM 648 CB PRO A 42 6.022 -7.506 8.164 1.00 0.00 C ATOM 649 CG PRO A 42 4.791 -6.648 7.788 1.00 0.00 C ATOM 650 CD PRO A 42 5.211 -5.172 7.943 1.00 0.00 C ATOM 0 HA PRO A 42 7.977 -6.813 8.873 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.143 -8.337 7.469 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.906 -7.937 9.158 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.474 -6.854 6.766 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.946 -6.879 8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.040 -4.611 7.024 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.642 -4.677 8.730 1.00 0.00 H new ATOM 658 N ARG A 43 8.777 -5.703 6.463 1.00 0.00 N ATOM 659 CA ARG A 43 9.517 -5.739 5.172 1.00 0.00 C ATOM 660 C ARG A 43 10.594 -6.818 5.215 1.00 0.00 C ATOM 661 O ARG A 43 10.768 -7.505 6.202 1.00 0.00 O ATOM 662 CB ARG A 43 10.184 -4.389 4.916 1.00 0.00 C ATOM 663 CG ARG A 43 11.103 -4.033 6.086 1.00 0.00 C ATOM 664 CD ARG A 43 11.249 -2.512 6.172 1.00 0.00 C ATOM 665 NE ARG A 43 12.693 -2.158 6.260 1.00 0.00 N ATOM 666 CZ ARG A 43 13.277 -2.086 7.425 1.00 0.00 C ATOM 667 NH1 ARG A 43 12.764 -1.344 8.366 1.00 0.00 N ATOM 668 NH2 ARG A 43 14.372 -2.759 7.647 1.00 0.00 N ATOM 0 H ARG A 43 8.960 -4.886 7.046 1.00 0.00 H new ATOM 0 HA ARG A 43 8.809 -5.959 4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.758 -4.427 3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.425 -3.617 4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.693 -4.423 7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.080 -4.496 5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.801 -2.042 5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.717 -2.133 7.044 1.00 0.00 H new ATOM 0 HE ARG A 43 13.225 -1.972 5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.906 -0.820 8.192 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.220 -1.288 9.277 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.771 -3.341 6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.829 -2.703 8.557 1.00 0.00 H new ATOM 682 N GLY A 44 11.321 -6.967 4.144 1.00 0.00 N ATOM 683 CA GLY A 44 12.390 -7.991 4.106 1.00 0.00 C ATOM 684 C GLY A 44 12.589 -8.464 2.664 1.00 0.00 C ATOM 685 O GLY A 44 12.226 -7.787 1.723 1.00 0.00 O ATOM 0 H GLY A 44 11.217 -6.418 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.320 -7.577 4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.124 -8.834 4.744 1.00 0.00 H new ATOM 689 N ASP A 45 13.159 -9.625 2.481 1.00 0.00 N ATOM 690 CA ASP A 45 13.372 -10.137 1.099 1.00 0.00 C ATOM 691 C ASP A 45 12.179 -11.007 0.697 1.00 0.00 C ATOM 692 O ASP A 45 11.823 -11.095 -0.462 1.00 0.00 O ATOM 693 CB ASP A 45 14.653 -10.972 1.052 1.00 0.00 C ATOM 694 CG ASP A 45 15.622 -10.358 0.041 1.00 0.00 C ATOM 695 OD1 ASP A 45 15.651 -9.141 -0.058 1.00 0.00 O ATOM 696 OD2 ASP A 45 16.318 -11.112 -0.618 1.00 0.00 O ATOM 0 H ASP A 45 13.485 -10.239 3.228 1.00 0.00 H new ATOM 0 HA ASP A 45 13.465 -9.299 0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.114 -11.007 2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.421 -11.999 0.772 1.00 0.00 H new ATOM 701 N MET A 46 11.554 -11.645 1.649 1.00 0.00 N ATOM 702 CA MET A 46 10.380 -12.502 1.328 1.00 0.00 C ATOM 703 C MET A 46 9.364 -11.708 0.499 1.00 0.00 C ATOM 704 O MET A 46 8.916 -12.169 -0.531 1.00 0.00 O ATOM 705 CB MET A 46 9.720 -12.972 2.627 1.00 0.00 C ATOM 706 CG MET A 46 9.685 -14.501 2.658 1.00 0.00 C ATOM 707 SD MET A 46 9.302 -15.060 4.336 1.00 0.00 S ATOM 708 CE MET A 46 8.145 -16.374 3.881 1.00 0.00 C ATOM 0 H MET A 46 11.807 -11.609 2.636 1.00 0.00 H new ATOM 0 HA MET A 46 10.715 -13.366 0.754 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.273 -12.593 3.486 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.708 -12.573 2.698 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.936 -14.873 1.959 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.646 -14.904 2.339 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.777 -16.863 4.783 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.306 -15.946 3.332 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.654 -17.106 3.253 1.00 0.00 H new ATOM 718 N PRO A 47 9.027 -10.539 0.979 1.00 0.00 N ATOM 719 CA PRO A 47 8.058 -9.657 0.311 1.00 0.00 C ATOM 720 C PRO A 47 8.724 -8.891 -0.833 1.00 0.00 C ATOM 721 O PRO A 47 9.931 -8.778 -0.904 1.00 0.00 O ATOM 722 CB PRO A 47 7.618 -8.702 1.424 1.00 0.00 C ATOM 723 CG PRO A 47 8.745 -8.717 2.485 1.00 0.00 C ATOM 724 CD PRO A 47 9.575 -9.991 2.233 1.00 0.00 C ATOM 0 HA PRO A 47 7.225 -10.199 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.465 -7.696 1.034 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.671 -9.022 1.859 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.368 -7.827 2.400 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.328 -8.720 3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 47 10.636 -9.762 2.137 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.475 -10.700 3.055 1.00 0.00 H new ATOM 732 N GLY A 48 7.939 -8.360 -1.727 1.00 0.00 N ATOM 733 CA GLY A 48 8.507 -7.596 -2.864 1.00 0.00 C ATOM 734 C GLY A 48 7.467 -6.586 -3.352 1.00 0.00 C ATOM 735 O GLY A 48 7.053 -6.623 -4.494 1.00 0.00 O ATOM 0 H GLY A 48 6.921 -8.425 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.416 -7.081 -2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.783 -8.273 -3.672 1.00 0.00 H new ATOM 739 N PRO A 49 7.074 -5.711 -2.461 1.00 0.00 N ATOM 740 CA PRO A 49 6.075 -4.668 -2.753 1.00 0.00 C ATOM 741 C PRO A 49 6.693 -3.547 -3.580 1.00 0.00 C ATOM 742 O PRO A 49 7.738 -3.701 -4.181 1.00 0.00 O ATOM 743 CB PRO A 49 5.684 -4.143 -1.373 1.00 0.00 C ATOM 744 CG PRO A 49 6.850 -4.492 -0.435 1.00 0.00 C ATOM 745 CD PRO A 49 7.590 -5.677 -1.078 1.00 0.00 C ATOM 0 HA PRO A 49 5.228 -5.048 -3.325 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.515 -3.067 -1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.757 -4.603 -1.030 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.517 -3.639 -0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.484 -4.756 0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.670 -5.532 -1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.384 -6.609 -0.552 1.00 0.00 H new ATOM 753 N TYR A 50 6.051 -2.417 -3.606 1.00 0.00 N ATOM 754 CA TYR A 50 6.593 -1.279 -4.382 1.00 0.00 C ATOM 755 C TYR A 50 6.619 -0.024 -3.508 1.00 0.00 C ATOM 756 O TYR A 50 5.684 0.752 -3.505 1.00 0.00 O ATOM 757 CB TYR A 50 5.707 -1.028 -5.604 1.00 0.00 C ATOM 758 CG TYR A 50 6.569 -0.909 -6.837 1.00 0.00 C ATOM 759 CD1 TYR A 50 7.154 -2.051 -7.396 1.00 0.00 C ATOM 760 CD2 TYR A 50 6.785 0.346 -7.419 1.00 0.00 C ATOM 761 CE1 TYR A 50 7.953 -1.939 -8.541 1.00 0.00 C ATOM 762 CE2 TYR A 50 7.584 0.457 -8.564 1.00 0.00 C ATOM 763 CZ TYR A 50 8.168 -0.684 -9.124 1.00 0.00 C ATOM 764 OH TYR A 50 8.957 -0.574 -10.252 1.00 0.00 O ATOM 0 H TYR A 50 5.172 -2.234 -3.121 1.00 0.00 H new ATOM 0 HA TYR A 50 7.607 -1.515 -4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.994 -1.844 -5.723 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.127 -0.116 -5.464 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.989 -3.018 -6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.336 1.227 -6.986 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.403 -2.820 -8.974 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.749 1.424 -9.015 1.00 0.00 H new ATOM 0 HH TYR A 50 9.003 0.365 -10.529 1.00 0.00 H new ATOM 774 N CYS A 51 7.685 0.198 -2.786 1.00 0.00 N ATOM 775 CA CYS A 51 7.761 1.429 -1.955 1.00 0.00 C ATOM 776 C CYS A 51 8.127 2.583 -2.887 1.00 0.00 C ATOM 777 O CYS A 51 9.210 2.626 -3.438 1.00 0.00 O ATOM 778 CB CYS A 51 8.841 1.312 -0.900 1.00 0.00 C ATOM 779 SG CYS A 51 8.149 1.810 0.694 1.00 0.00 S ATOM 0 H CYS A 51 8.499 -0.415 -2.737 1.00 0.00 H new ATOM 0 HA CYS A 51 6.806 1.588 -1.455 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.210 0.288 -0.849 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.691 1.944 -1.157 1.00 0.00 H new ATOM 784 N CYS A 52 7.246 3.507 -3.071 1.00 0.00 N ATOM 785 CA CYS A 52 7.544 4.658 -3.974 1.00 0.00 C ATOM 786 C CYS A 52 7.726 5.896 -3.122 1.00 0.00 C ATOM 787 O CYS A 52 7.353 5.918 -1.980 1.00 0.00 O ATOM 788 CB CYS A 52 6.376 4.870 -4.940 1.00 0.00 C ATOM 789 SG CYS A 52 6.570 6.425 -5.844 1.00 0.00 S ATOM 0 H CYS A 52 6.323 3.525 -2.637 1.00 0.00 H new ATOM 0 HA CYS A 52 8.448 4.459 -4.550 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.323 4.039 -5.643 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.437 4.880 -4.387 1.00 0.00 H new ATOM 794 N GLU A 53 8.291 6.925 -3.658 1.00 0.00 N ATOM 795 CA GLU A 53 8.478 8.152 -2.842 1.00 0.00 C ATOM 796 C GLU A 53 7.686 9.308 -3.457 1.00 0.00 C ATOM 797 O GLU A 53 8.238 10.329 -3.817 1.00 0.00 O ATOM 798 CB GLU A 53 9.963 8.510 -2.783 1.00 0.00 C ATOM 799 CG GLU A 53 10.790 7.228 -2.666 1.00 0.00 C ATOM 800 CD GLU A 53 12.272 7.558 -2.859 1.00 0.00 C ATOM 801 OE1 GLU A 53 12.692 7.663 -4.000 1.00 0.00 O ATOM 802 OE2 GLU A 53 12.962 7.698 -1.864 1.00 0.00 O ATOM 0 H GLU A 53 8.632 6.977 -4.618 1.00 0.00 H new ATOM 0 HA GLU A 53 8.114 7.971 -1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.251 9.062 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.158 9.161 -1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.633 6.769 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.467 6.504 -3.415 1.00 0.00 H new ATOM 809 N SER A 54 6.393 9.159 -3.569 1.00 0.00 N ATOM 810 CA SER A 54 5.565 10.253 -4.147 1.00 0.00 C ATOM 811 C SER A 54 4.140 10.140 -3.626 1.00 0.00 C ATOM 812 O SER A 54 3.721 9.117 -3.121 1.00 0.00 O ATOM 813 CB SER A 54 5.547 10.159 -5.668 1.00 0.00 C ATOM 814 OG SER A 54 4.571 11.058 -6.181 1.00 0.00 O ATOM 0 H SER A 54 5.876 8.327 -3.285 1.00 0.00 H new ATOM 0 HA SER A 54 5.996 11.210 -3.853 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.530 10.402 -6.071 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.319 9.139 -5.979 1.00 0.00 H new ATOM 0 HG SER A 54 4.557 11.002 -7.159 1.00 0.00 H new ATOM 820 N ASP A 55 3.390 11.186 -3.753 1.00 0.00 N ATOM 821 CA ASP A 55 1.990 11.154 -3.262 1.00 0.00 C ATOM 822 C ASP A 55 1.151 10.254 -4.161 1.00 0.00 C ATOM 823 O ASP A 55 1.417 10.104 -5.337 1.00 0.00 O ATOM 824 CB ASP A 55 1.423 12.575 -3.245 1.00 0.00 C ATOM 825 CG ASP A 55 -0.105 12.542 -3.284 1.00 0.00 C ATOM 826 OD1 ASP A 55 -0.646 12.130 -4.298 1.00 0.00 O ATOM 827 OD2 ASP A 55 -0.707 12.930 -2.297 1.00 0.00 O ATOM 0 H ASP A 55 3.683 12.066 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 55 1.965 10.753 -2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.759 13.096 -2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.803 13.135 -4.100 1.00 0.00 H new ATOM 832 N LYS A 56 0.130 9.662 -3.608 1.00 0.00 N ATOM 833 CA LYS A 56 -0.745 8.771 -4.419 1.00 0.00 C ATOM 834 C LYS A 56 0.114 7.914 -5.359 1.00 0.00 C ATOM 835 O LYS A 56 -0.280 7.621 -6.470 1.00 0.00 O ATOM 836 CB LYS A 56 -1.691 9.637 -5.252 1.00 0.00 C ATOM 837 CG LYS A 56 -2.832 10.146 -4.369 1.00 0.00 C ATOM 838 CD LYS A 56 -3.952 10.700 -5.251 1.00 0.00 C ATOM 839 CE LYS A 56 -4.571 11.926 -4.581 1.00 0.00 C ATOM 840 NZ LYS A 56 -5.006 12.897 -5.624 1.00 0.00 N ATOM 0 H LYS A 56 -0.137 9.757 -2.628 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.315 8.117 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.147 10.478 -5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.092 9.058 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.212 9.337 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.467 10.922 -3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.558 10.968 -6.231 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.714 9.937 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.422 11.628 -3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.847 12.393 -3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.427 13.731 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.184 13.190 -6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.711 12.449 -6.243 1.00 0.00 H new ATOM 854 N CYS A 57 1.295 7.537 -4.942 1.00 0.00 N ATOM 855 CA CYS A 57 2.172 6.733 -5.843 1.00 0.00 C ATOM 856 C CYS A 57 1.677 5.284 -5.997 1.00 0.00 C ATOM 857 O CYS A 57 1.907 4.672 -7.020 1.00 0.00 O ATOM 858 CB CYS A 57 3.600 6.724 -5.295 1.00 0.00 C ATOM 859 SG CYS A 57 4.762 6.745 -6.685 1.00 0.00 S ATOM 0 H CYS A 57 1.687 7.749 -4.025 1.00 0.00 H new ATOM 0 HA CYS A 57 2.144 7.200 -6.828 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.763 7.590 -4.654 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.763 5.838 -4.681 1.00 0.00 H new ATOM 864 N ASN A 58 1.018 4.714 -5.014 1.00 0.00 N ATOM 865 CA ASN A 58 0.555 3.295 -5.170 1.00 0.00 C ATOM 866 C ASN A 58 -0.006 3.096 -6.569 1.00 0.00 C ATOM 867 O ASN A 58 0.065 2.026 -7.134 1.00 0.00 O ATOM 868 CB ASN A 58 -0.556 2.957 -4.176 1.00 0.00 C ATOM 869 CG ASN A 58 -0.477 3.857 -2.958 1.00 0.00 C ATOM 870 OD1 ASN A 58 -0.931 4.978 -3.005 1.00 0.00 O ATOM 871 ND2 ASN A 58 0.101 3.418 -1.872 1.00 0.00 N ATOM 0 H ASN A 58 0.784 5.159 -4.127 1.00 0.00 H new ATOM 0 HA ASN A 58 1.413 2.648 -4.989 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.528 3.071 -4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.472 1.914 -3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.173 4.022 -1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.480 2.472 -1.843 1.00 0.00 H new ATOM 878 N LEU A 59 -0.570 4.118 -7.136 1.00 0.00 N ATOM 879 CA LEU A 59 -1.137 3.968 -8.494 1.00 0.00 C ATOM 880 C LEU A 59 -0.784 5.191 -9.343 1.00 0.00 C ATOM 881 O LEU A 59 -1.207 5.237 -10.486 1.00 0.00 O ATOM 882 CB LEU A 59 -2.659 3.823 -8.404 1.00 0.00 C ATOM 883 CG LEU A 59 -3.201 4.740 -7.305 1.00 0.00 C ATOM 884 CD1 LEU A 59 -4.360 5.571 -7.860 1.00 0.00 C ATOM 885 CD2 LEU A 59 -3.700 3.891 -6.133 1.00 0.00 C ATOM 886 OXT LEU A 59 -0.096 6.061 -8.835 1.00 0.00 O ATOM 0 H LEU A 59 -0.662 5.045 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.717 3.077 -8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.115 4.077 -9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.923 2.787 -8.190 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.408 5.404 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.747 6.224 -7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.007 6.175 -8.696 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.153 4.906 -8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.086 4.543 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.493 3.227 -6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.876 3.297 -5.737 1.00 0.00 H new TER 898 LEU A 59