USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=17 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 Single : A 1 ARG N :NH3+ -117:sc= 0.635 (180deg=-0.799) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -2.06 F(o=-4.7!,f=-2.1) USER MOD Single : A 6 HIS : no HD1:sc= -0.939 X(o=-0.94,f=-0.63) USER MOD Single : A 9 THR OG1 : rot -25:sc= 0.166 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 0:sc= 1.07 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -2.2! X(o=-2.2!,f=-1.8) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00183 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= 0.00601 (180deg=0.005) USER MOD Single : A 25 ASN :FLIP amide:sc= -4.2! C(o=-6.8!,f=-4.2!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.618 F(o=-1.8,f=-0.62) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 162:sc= -0.092 (180deg=-0.241) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 72:sc= 1.37 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -4.59! C(o=-4.6!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.478 11.018 3.626 1.00 0.00 N ATOM 2 CA ARG A 1 1.737 12.007 2.793 1.00 0.00 C ATOM 3 C ARG A 1 0.396 11.398 2.366 1.00 0.00 C ATOM 4 O ARG A 1 -0.161 10.574 3.061 1.00 0.00 O ATOM 5 CB ARG A 1 2.592 12.361 1.566 1.00 0.00 C ATOM 6 CG ARG A 1 2.375 11.354 0.420 1.00 0.00 C ATOM 7 CD ARG A 1 3.693 10.685 0.050 1.00 0.00 C ATOM 8 NE ARG A 1 4.541 11.601 -0.776 1.00 0.00 N ATOM 9 CZ ARG A 1 4.612 12.883 -0.520 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.055 13.304 0.631 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.276 13.746 -1.438 1.00 0.00 N ATOM 0 H1 ARG A 1 2.610 11.401 4.584 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.935 10.132 3.679 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.407 10.830 3.198 1.00 0.00 H new ATOM 0 HA ARG A 1 1.541 12.917 3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.341 13.365 1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.645 12.374 1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 1 1.648 10.600 0.722 1.00 0.00 H new ATOM 0 HG3 ARG A 1 1.962 11.865 -0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.230 10.403 0.956 1.00 0.00 H new ATOM 0 HD3 ARG A 1 3.497 9.766 -0.503 1.00 0.00 H new ATOM 0 HE ARG A 1 5.075 11.218 -1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.350 12.633 1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 1 5.107 14.305 0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 1 3.959 13.421 -2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 1 4.330 14.746 -1.242 1.00 0.00 H new ATOM 27 N ILE A 2 -0.120 11.774 1.222 1.00 0.00 N ATOM 28 CA ILE A 2 -1.412 11.180 0.777 1.00 0.00 C ATOM 29 C ILE A 2 -1.154 9.914 -0.015 1.00 0.00 C ATOM 30 O ILE A 2 -0.713 9.971 -1.141 1.00 0.00 O ATOM 31 CB ILE A 2 -2.167 12.141 -0.136 1.00 0.00 C ATOM 32 CG1 ILE A 2 -2.630 13.332 0.685 1.00 0.00 C ATOM 33 CG2 ILE A 2 -3.385 11.418 -0.729 1.00 0.00 C ATOM 34 CD1 ILE A 2 -1.762 14.551 0.361 1.00 0.00 C ATOM 0 H ILE A 2 0.293 12.457 0.587 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.001 10.970 1.670 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.520 12.481 -0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.676 13.550 0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.566 13.100 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.930 12.099 -1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.051 10.553 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.040 11.088 0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.097 15.404 0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.722 14.331 0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.849 14.788 -0.699 1.00 0.00 H new ATOM 46 N CYS A 3 -1.456 8.777 0.529 1.00 0.00 N ATOM 47 CA CYS A 3 -1.252 7.541 -0.262 1.00 0.00 C ATOM 48 C CYS A 3 -2.587 6.810 -0.378 1.00 0.00 C ATOM 49 O CYS A 3 -3.573 7.229 0.191 1.00 0.00 O ATOM 50 CB CYS A 3 -0.208 6.635 0.396 1.00 0.00 C ATOM 51 SG CYS A 3 1.309 7.572 0.700 1.00 0.00 S ATOM 0 H CYS A 3 -1.829 8.649 1.470 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.883 7.805 -1.253 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.596 6.239 1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.004 5.781 -0.247 1.00 0.00 H new ATOM 56 N TYR A 4 -2.646 5.722 -1.097 1.00 0.00 N ATOM 57 CA TYR A 4 -3.946 5.011 -1.202 1.00 0.00 C ATOM 58 C TYR A 4 -4.082 4.103 0.012 1.00 0.00 C ATOM 59 O TYR A 4 -3.104 3.574 0.496 1.00 0.00 O ATOM 60 CB TYR A 4 -4.002 4.183 -2.485 1.00 0.00 C ATOM 61 CG TYR A 4 -4.296 5.092 -3.654 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.571 5.649 -3.800 1.00 0.00 C ATOM 63 CD2 TYR A 4 -3.295 5.375 -4.592 1.00 0.00 C ATOM 64 CE1 TYR A 4 -5.847 6.490 -4.883 1.00 0.00 C ATOM 65 CE2 TYR A 4 -3.572 6.217 -5.675 1.00 0.00 C ATOM 66 CZ TYR A 4 -4.849 6.775 -5.821 1.00 0.00 C ATOM 67 OH TYR A 4 -5.123 7.606 -6.889 1.00 0.00 O ATOM 0 H TYR A 4 -1.867 5.304 -1.605 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.764 5.731 -1.233 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -3.054 3.667 -2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.772 3.416 -2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.342 5.430 -3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.311 4.944 -4.480 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.831 6.920 -4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.801 6.437 -6.399 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.321 7.700 -7.444 1.00 0.00 H new ATOM 77 N ASN A 5 -5.269 3.946 0.534 1.00 0.00 N ATOM 78 CA ASN A 5 -5.428 3.097 1.748 1.00 0.00 C ATOM 79 C ASN A 5 -6.254 1.833 1.475 1.00 0.00 C ATOM 80 O ASN A 5 -6.136 0.863 2.195 1.00 0.00 O ATOM 81 CB ASN A 5 -6.118 3.913 2.844 1.00 0.00 C ATOM 82 CG ASN A 5 -6.404 3.021 4.055 1.00 0.00 C ATOM 83 OD1 ASN A 5 -7.288 2.066 3.959 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -5.814 3.196 5.103 1.00 0.00 N flip ATOM 0 H ASN A 5 -6.127 4.365 0.176 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.432 2.782 2.060 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.485 4.750 3.139 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.048 4.335 2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.123 3.942 5.181 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.010 2.597 5.905 1.00 0.00 H new ATOM 91 N HIS A 6 -7.126 1.825 0.500 1.00 0.00 N ATOM 92 CA HIS A 6 -7.958 0.595 0.313 1.00 0.00 C ATOM 93 C HIS A 6 -7.095 -0.607 -0.038 1.00 0.00 C ATOM 94 O HIS A 6 -5.886 -0.527 -0.123 1.00 0.00 O ATOM 95 CB HIS A 6 -9.035 0.778 -0.749 1.00 0.00 C ATOM 96 CG HIS A 6 -10.288 0.072 -0.316 1.00 0.00 C ATOM 97 ND1 HIS A 6 -11.040 0.487 0.772 1.00 0.00 N ATOM 98 CD2 HIS A 6 -10.933 -1.032 -0.819 1.00 0.00 C ATOM 99 CE1 HIS A 6 -12.083 -0.355 0.888 1.00 0.00 C ATOM 100 NE2 HIS A 6 -12.066 -1.299 -0.057 1.00 0.00 N ATOM 0 H HIS A 6 -7.297 2.588 -0.155 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.453 0.415 1.267 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.236 1.839 -0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.691 0.380 -1.704 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.610 -1.605 -1.675 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -12.842 -0.277 1.652 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.739 -2.054 -0.191 1.00 0.00 H new ATOM 108 N LEU A 7 -7.725 -1.734 -0.206 1.00 0.00 N ATOM 109 CA LEU A 7 -6.970 -2.979 -0.512 1.00 0.00 C ATOM 110 C LEU A 7 -7.121 -3.389 -1.977 1.00 0.00 C ATOM 111 O LEU A 7 -7.895 -2.830 -2.729 1.00 0.00 O ATOM 112 CB LEU A 7 -7.495 -4.107 0.376 1.00 0.00 C ATOM 113 CG LEU A 7 -7.126 -3.820 1.829 1.00 0.00 C ATOM 114 CD1 LEU A 7 -8.119 -2.821 2.425 1.00 0.00 C ATOM 115 CD2 LEU A 7 -7.168 -5.121 2.633 1.00 0.00 C ATOM 0 H LEU A 7 -8.737 -1.847 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.914 -2.791 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.577 -4.192 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.069 -5.060 0.062 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.122 -3.399 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.853 -2.618 3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.088 -1.893 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.125 -3.239 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.904 -4.916 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.172 -5.543 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.457 -5.832 2.212 1.00 0.00 H new ATOM 127 N GLY A 8 -6.383 -4.393 -2.362 1.00 0.00 N ATOM 128 CA GLY A 8 -6.445 -4.917 -3.755 1.00 0.00 C ATOM 129 C GLY A 8 -6.092 -3.823 -4.763 1.00 0.00 C ATOM 130 O GLY A 8 -5.724 -2.723 -4.404 1.00 0.00 O ATOM 0 H GLY A 8 -5.725 -4.883 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.756 -5.754 -3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.445 -5.298 -3.961 1.00 0.00 H new ATOM 134 N THR A 9 -6.196 -4.130 -6.029 1.00 0.00 N ATOM 135 CA THR A 9 -5.863 -3.125 -7.077 1.00 0.00 C ATOM 136 C THR A 9 -7.091 -2.265 -7.384 1.00 0.00 C ATOM 137 O THR A 9 -6.996 -1.249 -8.042 1.00 0.00 O ATOM 138 CB THR A 9 -5.419 -3.849 -8.351 1.00 0.00 C ATOM 139 OG1 THR A 9 -5.054 -2.891 -9.335 1.00 0.00 O ATOM 140 CG2 THR A 9 -6.567 -4.709 -8.877 1.00 0.00 C ATOM 0 H THR A 9 -6.499 -5.038 -6.382 1.00 0.00 H new ATOM 0 HA THR A 9 -5.058 -2.485 -6.717 1.00 0.00 H new ATOM 0 HB THR A 9 -4.563 -4.486 -8.128 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.520 -2.047 -9.159 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.250 -5.224 -9.784 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.847 -5.443 -8.122 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.424 -4.074 -9.101 1.00 0.00 H new ATOM 148 N LYS A 10 -8.245 -2.654 -6.909 1.00 0.00 N ATOM 149 CA LYS A 10 -9.462 -1.838 -7.178 1.00 0.00 C ATOM 150 C LYS A 10 -9.160 -0.386 -6.813 1.00 0.00 C ATOM 151 O LYS A 10 -8.091 -0.096 -6.324 1.00 0.00 O ATOM 152 CB LYS A 10 -10.620 -2.352 -6.319 1.00 0.00 C ATOM 153 CG LYS A 10 -11.744 -2.857 -7.222 1.00 0.00 C ATOM 154 CD LYS A 10 -13.088 -2.646 -6.524 1.00 0.00 C ATOM 155 CE LYS A 10 -13.799 -3.991 -6.368 1.00 0.00 C ATOM 156 NZ LYS A 10 -14.526 -4.318 -7.626 1.00 0.00 N ATOM 0 H LYS A 10 -8.396 -3.495 -6.351 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.739 -1.910 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.274 -3.155 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.989 -1.555 -5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.728 -2.325 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.599 -3.914 -7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.934 -2.188 -5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.707 -1.961 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.075 -4.773 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.497 -3.950 -5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.009 -5.233 -7.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.228 -3.576 -7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.849 -4.374 -8.414 1.00 0.00 H new ATOM 170 N PRO A 11 -10.115 0.478 -7.046 1.00 0.00 N ATOM 171 CA PRO A 11 -9.980 1.912 -6.731 1.00 0.00 C ATOM 172 C PRO A 11 -10.166 2.106 -5.225 1.00 0.00 C ATOM 173 O PRO A 11 -11.259 1.955 -4.718 1.00 0.00 O ATOM 174 CB PRO A 11 -11.119 2.563 -7.522 1.00 0.00 C ATOM 175 CG PRO A 11 -12.161 1.448 -7.781 1.00 0.00 C ATOM 176 CD PRO A 11 -11.418 0.107 -7.636 1.00 0.00 C ATOM 0 HA PRO A 11 -9.011 2.338 -6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.562 3.386 -6.961 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.753 2.978 -8.461 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.984 1.514 -7.069 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.593 1.546 -8.777 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.964 -0.584 -6.994 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.293 -0.386 -8.600 1.00 0.00 H new ATOM 184 N PRO A 12 -9.084 2.389 -4.545 1.00 0.00 N ATOM 185 CA PRO A 12 -9.092 2.554 -3.090 1.00 0.00 C ATOM 186 C PRO A 12 -9.427 3.997 -2.718 1.00 0.00 C ATOM 187 O PRO A 12 -9.682 4.824 -3.572 1.00 0.00 O ATOM 188 CB PRO A 12 -7.644 2.237 -2.700 1.00 0.00 C ATOM 189 CG PRO A 12 -6.789 2.503 -3.949 1.00 0.00 C ATOM 190 CD PRO A 12 -7.753 2.571 -5.151 1.00 0.00 C ATOM 0 HA PRO A 12 -9.828 1.924 -2.591 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.320 2.862 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.547 1.201 -2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.236 3.436 -3.846 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.054 1.710 -4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.677 3.526 -5.671 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.536 1.792 -5.882 1.00 0.00 H new ATOM 198 N THR A 13 -9.397 4.318 -1.452 1.00 0.00 N ATOM 199 CA THR A 13 -9.678 5.717 -1.041 1.00 0.00 C ATOM 200 C THR A 13 -8.368 6.335 -0.574 1.00 0.00 C ATOM 201 O THR A 13 -7.783 5.899 0.397 1.00 0.00 O ATOM 202 CB THR A 13 -10.693 5.740 0.101 1.00 0.00 C ATOM 203 OG1 THR A 13 -10.081 5.252 1.286 1.00 0.00 O ATOM 204 CG2 THR A 13 -11.889 4.861 -0.260 1.00 0.00 C ATOM 0 H THR A 13 -9.191 3.672 -0.690 1.00 0.00 H new ATOM 0 HA THR A 13 -10.093 6.278 -1.878 1.00 0.00 H new ATOM 0 HB THR A 13 -11.035 6.762 0.264 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.148 5.016 1.099 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.612 4.878 0.555 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.357 5.239 -1.169 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.552 3.838 -0.425 1.00 0.00 H new ATOM 212 N THR A 14 -7.886 7.330 -1.260 1.00 0.00 N ATOM 213 CA THR A 14 -6.599 7.937 -0.843 1.00 0.00 C ATOM 214 C THR A 14 -6.612 8.166 0.661 1.00 0.00 C ATOM 215 O THR A 14 -7.650 8.199 1.294 1.00 0.00 O ATOM 216 CB THR A 14 -6.370 9.264 -1.563 1.00 0.00 C ATOM 217 OG1 THR A 14 -7.586 9.995 -1.614 1.00 0.00 O ATOM 218 CG2 THR A 14 -5.871 8.990 -2.978 1.00 0.00 C ATOM 0 H THR A 14 -8.323 7.745 -2.083 1.00 0.00 H new ATOM 0 HA THR A 14 -5.789 7.257 -1.106 1.00 0.00 H new ATOM 0 HB THR A 14 -5.625 9.849 -1.023 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.437 10.847 -2.075 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.706 9.935 -3.495 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.935 8.434 -2.932 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.615 8.405 -3.519 1.00 0.00 H new ATOM 226 N GLU A 15 -5.462 8.317 1.232 1.00 0.00 N ATOM 227 CA GLU A 15 -5.372 8.538 2.697 1.00 0.00 C ATOM 228 C GLU A 15 -4.089 9.311 2.986 1.00 0.00 C ATOM 229 O GLU A 15 -3.150 9.272 2.217 1.00 0.00 O ATOM 230 CB GLU A 15 -5.347 7.181 3.405 1.00 0.00 C ATOM 231 CG GLU A 15 -6.069 7.267 4.754 1.00 0.00 C ATOM 232 CD GLU A 15 -7.444 7.913 4.568 1.00 0.00 C ATOM 233 OE1 GLU A 15 -8.147 7.513 3.656 1.00 0.00 O ATOM 234 OE2 GLU A 15 -7.768 8.800 5.341 1.00 0.00 O ATOM 0 H GLU A 15 -4.567 8.297 0.744 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.229 9.107 3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.824 6.428 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.316 6.862 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.180 6.270 5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.475 7.851 5.458 1.00 0.00 H new ATOM 241 N THR A 16 -4.040 10.032 4.066 1.00 0.00 N ATOM 242 CA THR A 16 -2.812 10.816 4.356 1.00 0.00 C ATOM 243 C THR A 16 -2.048 10.200 5.528 1.00 0.00 C ATOM 244 O THR A 16 -2.623 9.763 6.505 1.00 0.00 O ATOM 245 CB THR A 16 -3.198 12.256 4.706 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.515 12.517 4.242 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.222 13.227 4.042 1.00 0.00 C ATOM 0 H THR A 16 -4.788 10.113 4.755 1.00 0.00 H new ATOM 0 HA THR A 16 -2.173 10.805 3.473 1.00 0.00 H new ATOM 0 HB THR A 16 -3.158 12.389 5.787 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.765 13.438 4.467 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.500 14.251 4.293 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.211 13.027 4.398 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.258 13.096 2.960 1.00 0.00 H new ATOM 255 N CYS A 17 -0.749 10.180 5.435 1.00 0.00 N ATOM 256 CA CYS A 17 0.076 9.617 6.536 1.00 0.00 C ATOM 257 C CYS A 17 1.307 10.504 6.723 1.00 0.00 C ATOM 258 O CYS A 17 1.378 11.592 6.187 1.00 0.00 O ATOM 259 CB CYS A 17 0.506 8.194 6.182 1.00 0.00 C ATOM 260 SG CYS A 17 -0.896 7.311 5.454 1.00 0.00 S ATOM 0 H CYS A 17 -0.220 10.532 4.637 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.502 9.587 7.460 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.340 8.217 5.481 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.855 7.674 7.074 1.00 0.00 H new ATOM 265 N GLN A 18 2.272 10.068 7.481 1.00 0.00 N ATOM 266 CA GLN A 18 3.474 10.921 7.689 1.00 0.00 C ATOM 267 C GLN A 18 4.584 10.553 6.719 1.00 0.00 C ATOM 268 O GLN A 18 5.275 11.405 6.196 1.00 0.00 O ATOM 269 CB GLN A 18 4.017 10.733 9.091 1.00 0.00 C ATOM 270 CG GLN A 18 5.184 11.702 9.288 1.00 0.00 C ATOM 271 CD GLN A 18 4.743 13.114 8.882 1.00 0.00 C ATOM 272 OE1 GLN A 18 4.380 13.915 9.720 1.00 0.00 O ATOM 273 NE2 GLN A 18 4.766 13.454 7.617 1.00 0.00 N ATOM 0 H GLN A 18 2.282 9.168 7.961 1.00 0.00 H new ATOM 0 HA GLN A 18 3.165 11.954 7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.237 10.923 9.829 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.349 9.705 9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.507 11.694 10.329 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.038 11.388 8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.071 12.781 6.914 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.479 14.391 7.336 1.00 0.00 H new ATOM 282 N GLU A 19 4.794 9.294 6.506 1.00 0.00 N ATOM 283 CA GLU A 19 5.905 8.893 5.600 1.00 0.00 C ATOM 284 C GLU A 19 5.603 9.375 4.186 1.00 0.00 C ATOM 285 O GLU A 19 4.492 9.268 3.702 1.00 0.00 O ATOM 286 CB GLU A 19 6.077 7.371 5.587 1.00 0.00 C ATOM 287 CG GLU A 19 5.594 6.773 6.910 1.00 0.00 C ATOM 288 CD GLU A 19 6.428 5.536 7.247 1.00 0.00 C ATOM 289 OE1 GLU A 19 7.129 5.062 6.368 1.00 0.00 O ATOM 290 OE2 GLU A 19 6.350 5.083 8.376 1.00 0.00 O ATOM 0 H GLU A 19 4.255 8.529 6.911 1.00 0.00 H new ATOM 0 HA GLU A 19 6.828 9.345 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.514 6.941 4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.125 7.118 5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.680 7.511 7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.540 6.505 6.837 1.00 0.00 H new ATOM 297 N ASP A 20 6.589 9.906 3.517 1.00 0.00 N ATOM 298 CA ASP A 20 6.356 10.396 2.123 1.00 0.00 C ATOM 299 C ASP A 20 6.259 9.190 1.199 1.00 0.00 C ATOM 300 O ASP A 20 5.835 9.293 0.065 1.00 0.00 O ATOM 301 CB ASP A 20 7.499 11.298 1.623 1.00 0.00 C ATOM 302 CG ASP A 20 8.570 11.483 2.702 1.00 0.00 C ATOM 303 OD1 ASP A 20 8.349 12.281 3.598 1.00 0.00 O ATOM 304 OD2 ASP A 20 9.593 10.824 2.612 1.00 0.00 O ATOM 0 H ASP A 20 7.539 10.023 3.869 1.00 0.00 H new ATOM 0 HA ASP A 20 5.438 10.983 2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.948 10.860 0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.099 12.270 1.333 1.00 0.00 H new ATOM 309 N SER A 21 6.661 8.046 1.670 1.00 0.00 N ATOM 310 CA SER A 21 6.602 6.839 0.815 1.00 0.00 C ATOM 311 C SER A 21 5.204 6.223 0.899 1.00 0.00 C ATOM 312 O SER A 21 4.558 6.267 1.927 1.00 0.00 O ATOM 313 CB SER A 21 7.635 5.821 1.298 1.00 0.00 C ATOM 314 OG SER A 21 8.753 6.509 1.845 1.00 0.00 O ATOM 0 H SER A 21 7.027 7.897 2.610 1.00 0.00 H new ATOM 0 HA SER A 21 6.818 7.115 -0.217 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.193 5.166 2.049 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.953 5.187 0.470 1.00 0.00 H new ATOM 0 HG SER A 21 9.416 5.859 2.157 1.00 0.00 H new ATOM 320 N CYS A 22 4.746 5.617 -0.160 1.00 0.00 N ATOM 321 CA CYS A 22 3.420 4.965 -0.129 1.00 0.00 C ATOM 322 C CYS A 22 3.681 3.496 -0.389 1.00 0.00 C ATOM 323 O CYS A 22 4.315 3.139 -1.362 1.00 0.00 O ATOM 324 CB CYS A 22 2.509 5.546 -1.211 1.00 0.00 C ATOM 325 SG CYS A 22 2.386 7.339 -0.993 1.00 0.00 S ATOM 0 H CYS A 22 5.241 5.548 -1.049 1.00 0.00 H new ATOM 0 HA CYS A 22 2.918 5.123 0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.906 5.315 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.520 5.092 -1.151 1.00 0.00 H new ATOM 330 N TYR A 23 3.253 2.635 0.474 1.00 0.00 N ATOM 331 CA TYR A 23 3.555 1.210 0.241 1.00 0.00 C ATOM 332 C TYR A 23 2.296 0.424 -0.017 1.00 0.00 C ATOM 333 O TYR A 23 1.319 0.484 0.703 1.00 0.00 O ATOM 334 CB TYR A 23 4.353 0.623 1.412 1.00 0.00 C ATOM 335 CG TYR A 23 3.459 0.138 2.539 1.00 0.00 C ATOM 336 CD1 TYR A 23 2.496 0.982 3.109 1.00 0.00 C ATOM 337 CD2 TYR A 23 3.635 -1.157 3.044 1.00 0.00 C ATOM 338 CE1 TYR A 23 1.713 0.528 4.180 1.00 0.00 C ATOM 339 CE2 TYR A 23 2.849 -1.610 4.110 1.00 0.00 C ATOM 340 CZ TYR A 23 1.888 -0.767 4.677 1.00 0.00 C ATOM 341 OH TYR A 23 1.117 -1.212 5.731 1.00 0.00 O ATOM 0 H TYR A 23 2.717 2.849 1.315 1.00 0.00 H new ATOM 0 HA TYR A 23 4.175 1.137 -0.653 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.962 -0.207 1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.038 1.379 1.796 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.357 1.981 2.724 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.379 -1.808 2.609 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.974 1.180 4.622 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.985 -2.610 4.494 1.00 0.00 H new ATOM 0 HH TYR A 23 1.365 -2.134 5.952 1.00 0.00 H new ATOM 351 N LYS A 24 2.341 -0.309 -1.071 1.00 0.00 N ATOM 352 CA LYS A 24 1.193 -1.154 -1.463 1.00 0.00 C ATOM 353 C LYS A 24 1.720 -2.583 -1.553 1.00 0.00 C ATOM 354 O LYS A 24 2.562 -2.904 -2.368 1.00 0.00 O ATOM 355 CB LYS A 24 0.627 -0.603 -2.779 1.00 0.00 C ATOM 356 CG LYS A 24 0.547 -1.642 -3.896 1.00 0.00 C ATOM 357 CD LYS A 24 1.491 -1.217 -5.020 1.00 0.00 C ATOM 358 CE LYS A 24 0.702 -0.476 -6.099 1.00 0.00 C ATOM 359 NZ LYS A 24 0.868 -1.177 -7.403 1.00 0.00 N ATOM 0 H LYS A 24 3.144 -0.364 -1.698 1.00 0.00 H new ATOM 0 HA LYS A 24 0.368 -1.147 -0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.370 -0.202 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.249 0.228 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.825 -2.626 -3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.474 -1.721 -4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.278 -0.574 -4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.980 -2.092 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.353 -0.433 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.053 0.553 -6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.253 -0.735 -8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.859 -1.108 -7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.608 -2.178 -7.294 1.00 0.00 H new ATOM 373 N ASN A 25 1.277 -3.421 -0.663 1.00 0.00 N ATOM 374 CA ASN A 25 1.797 -4.814 -0.618 1.00 0.00 C ATOM 375 C ASN A 25 0.662 -5.828 -0.762 1.00 0.00 C ATOM 376 O ASN A 25 -0.490 -5.535 -0.513 1.00 0.00 O ATOM 377 CB ASN A 25 2.498 -5.025 0.733 1.00 0.00 C ATOM 378 CG ASN A 25 1.897 -4.079 1.779 1.00 0.00 C ATOM 379 OD1 ASN A 25 2.040 -2.788 1.623 1.00 0.00 O flip ATOM 380 ND2 ASN A 25 1.298 -4.516 2.742 1.00 0.00 N flip ATOM 0 H ASN A 25 0.572 -3.200 0.041 1.00 0.00 H new ATOM 0 HA ASN A 25 2.493 -4.963 -1.444 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.383 -6.060 1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.567 -4.839 0.632 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.188 -5.523 2.860 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.905 -3.876 3.432 1.00 0.00 H new ATOM 387 N ILE A 26 0.998 -7.025 -1.156 1.00 0.00 N ATOM 388 CA ILE A 26 -0.034 -8.086 -1.317 1.00 0.00 C ATOM 389 C ILE A 26 -0.184 -8.850 0.003 1.00 0.00 C ATOM 390 O ILE A 26 -1.105 -9.624 0.184 1.00 0.00 O ATOM 391 CB ILE A 26 0.394 -9.046 -2.440 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.390 -10.087 -1.910 1.00 0.00 C ATOM 393 CG2 ILE A 26 1.053 -8.250 -3.567 1.00 0.00 C ATOM 394 CD1 ILE A 26 2.704 -9.402 -1.530 1.00 0.00 C ATOM 0 H ILE A 26 1.951 -7.315 -1.375 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.992 -7.636 -1.579 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.491 -9.561 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.971 -10.596 -1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.572 -10.848 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.357 -8.930 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.344 -7.523 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.929 -7.729 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.407 -10.146 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.127 -8.914 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.516 -8.658 -0.756 1.00 0.00 H new ATOM 406 N TRP A 27 0.718 -8.640 0.923 1.00 0.00 N ATOM 407 CA TRP A 27 0.639 -9.353 2.229 1.00 0.00 C ATOM 408 C TRP A 27 -0.485 -8.763 3.077 1.00 0.00 C ATOM 409 O TRP A 27 -0.396 -7.650 3.558 1.00 0.00 O ATOM 410 CB TRP A 27 1.964 -9.191 2.973 1.00 0.00 C ATOM 411 CG TRP A 27 3.089 -9.601 2.076 1.00 0.00 C ATOM 412 CD1 TRP A 27 3.838 -8.757 1.331 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.601 -10.940 1.817 1.00 0.00 C ATOM 414 NE1 TRP A 27 4.773 -9.494 0.627 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.669 -10.843 0.896 1.00 0.00 C ATOM 416 CE3 TRP A 27 3.244 -12.216 2.288 1.00 0.00 C ATOM 417 CZ2 TRP A 27 5.360 -11.973 0.456 1.00 0.00 C ATOM 418 CZ3 TRP A 27 3.938 -13.355 1.848 1.00 0.00 C ATOM 419 CH2 TRP A 27 4.993 -13.234 0.933 1.00 0.00 C ATOM 0 H TRP A 27 1.509 -8.003 0.825 1.00 0.00 H new ATOM 0 HA TRP A 27 0.439 -10.409 2.049 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.093 -8.155 3.287 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.964 -9.801 3.877 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.725 -7.684 1.292 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.456 -9.089 -0.013 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.432 -12.321 2.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.173 -11.873 -0.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.657 -14.330 2.217 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.521 -14.114 0.597 1.00 0.00 H new ATOM 430 N THR A 28 -1.542 -9.499 3.269 1.00 0.00 N ATOM 431 CA THR A 28 -2.665 -8.978 4.092 1.00 0.00 C ATOM 432 C THR A 28 -3.503 -10.149 4.614 1.00 0.00 C ATOM 433 O THR A 28 -3.295 -11.287 4.242 1.00 0.00 O ATOM 434 CB THR A 28 -3.526 -8.043 3.236 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.273 -7.183 4.085 1.00 0.00 O ATOM 436 CG2 THR A 28 -4.481 -8.858 2.362 1.00 0.00 C ATOM 0 H THR A 28 -1.676 -10.437 2.892 1.00 0.00 H new ATOM 0 HA THR A 28 -2.275 -8.421 4.944 1.00 0.00 H new ATOM 0 HB THR A 28 -2.877 -7.450 2.591 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.823 -6.583 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.088 -8.183 1.758 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.906 -9.513 1.707 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.131 -9.460 2.997 1.00 0.00 H new ATOM 444 N PHE A 29 -4.446 -9.882 5.476 1.00 0.00 N ATOM 445 CA PHE A 29 -5.288 -10.984 6.020 1.00 0.00 C ATOM 446 C PHE A 29 -6.707 -10.878 5.461 1.00 0.00 C ATOM 447 O PHE A 29 -7.224 -11.810 4.874 1.00 0.00 O ATOM 448 CB PHE A 29 -5.334 -10.884 7.546 1.00 0.00 C ATOM 449 CG PHE A 29 -4.933 -12.210 8.147 1.00 0.00 C ATOM 450 CD1 PHE A 29 -3.585 -12.481 8.410 1.00 0.00 C ATOM 451 CD2 PHE A 29 -5.911 -13.169 8.439 1.00 0.00 C ATOM 452 CE1 PHE A 29 -3.214 -13.711 8.966 1.00 0.00 C ATOM 453 CE2 PHE A 29 -5.539 -14.399 8.994 1.00 0.00 C ATOM 454 CZ PHE A 29 -4.192 -14.670 9.258 1.00 0.00 C ATOM 0 H PHE A 29 -4.669 -8.950 5.826 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.857 -11.942 5.728 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.662 -10.098 7.890 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.337 -10.612 7.874 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.831 -11.741 8.184 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.951 -12.960 8.236 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.174 -13.920 9.170 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.292 -15.139 9.219 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.906 -15.619 9.687 1.00 0.00 H new ATOM 464 N ASP A 30 -7.346 -9.754 5.636 1.00 0.00 N ATOM 465 CA ASP A 30 -8.733 -9.599 5.113 1.00 0.00 C ATOM 466 C ASP A 30 -8.718 -9.691 3.586 1.00 0.00 C ATOM 467 O ASP A 30 -9.058 -10.708 3.013 1.00 0.00 O ATOM 468 CB ASP A 30 -9.290 -8.236 5.537 1.00 0.00 C ATOM 469 CG ASP A 30 -10.619 -8.434 6.267 1.00 0.00 C ATOM 470 OD1 ASP A 30 -10.586 -8.857 7.412 1.00 0.00 O ATOM 471 OD2 ASP A 30 -11.647 -8.158 5.672 1.00 0.00 O ATOM 0 H ASP A 30 -6.969 -8.938 6.117 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.363 -10.391 5.518 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.578 -7.726 6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.434 -7.602 4.662 1.00 0.00 H new ATOM 476 N ASN A 31 -8.328 -8.638 2.924 1.00 0.00 N ATOM 477 CA ASN A 31 -8.292 -8.663 1.435 1.00 0.00 C ATOM 478 C ASN A 31 -6.951 -9.242 0.968 1.00 0.00 C ATOM 479 O ASN A 31 -6.478 -10.227 1.499 1.00 0.00 O ATOM 480 CB ASN A 31 -8.462 -7.237 0.905 1.00 0.00 C ATOM 481 CG ASN A 31 -9.030 -7.283 -0.514 1.00 0.00 C ATOM 482 OD1 ASN A 31 -8.359 -6.737 -1.490 1.00 0.00 O flip ATOM 483 ND2 ASN A 31 -10.097 -7.819 -0.737 1.00 0.00 N flip ATOM 0 H ASN A 31 -8.032 -7.760 3.350 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.100 -9.287 1.054 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.129 -6.673 1.557 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.502 -6.720 0.907 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.622 -8.246 0.026 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.468 -7.842 -1.687 1.00 0.00 H new ATOM 490 N ILE A 32 -6.329 -8.649 -0.020 1.00 0.00 N ATOM 491 CA ILE A 32 -5.025 -9.183 -0.501 1.00 0.00 C ATOM 492 C ILE A 32 -4.004 -8.046 -0.586 1.00 0.00 C ATOM 493 O ILE A 32 -3.035 -8.014 0.147 1.00 0.00 O ATOM 494 CB ILE A 32 -5.204 -9.811 -1.885 1.00 0.00 C ATOM 495 CG1 ILE A 32 -6.525 -10.581 -1.928 1.00 0.00 C ATOM 496 CG2 ILE A 32 -4.047 -10.771 -2.161 1.00 0.00 C ATOM 497 CD1 ILE A 32 -6.552 -11.613 -0.798 1.00 0.00 C ATOM 0 H ILE A 32 -6.669 -7.822 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.668 -9.940 0.197 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.215 -9.027 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.363 -9.892 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.637 -11.078 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.173 -11.219 -3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.105 -10.224 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.037 -11.556 -1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.493 -12.162 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.722 -12.309 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.460 -11.104 0.162 1.00 0.00 H new ATOM 509 N ILE A 33 -4.211 -7.113 -1.475 1.00 0.00 N ATOM 510 CA ILE A 33 -3.248 -5.982 -1.605 1.00 0.00 C ATOM 511 C ILE A 33 -3.706 -4.814 -0.745 1.00 0.00 C ATOM 512 O ILE A 33 -4.881 -4.629 -0.509 1.00 0.00 O ATOM 513 CB ILE A 33 -3.186 -5.523 -3.060 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.230 -6.742 -3.976 1.00 0.00 C ATOM 515 CG2 ILE A 33 -1.892 -4.742 -3.295 1.00 0.00 C ATOM 516 CD1 ILE A 33 -1.956 -7.572 -3.797 1.00 0.00 C ATOM 0 H ILE A 33 -5.004 -7.085 -2.116 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.264 -6.319 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.037 -4.877 -3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.106 -7.349 -3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.325 -6.425 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.848 -4.415 -4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.868 -3.872 -2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.036 -5.382 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.993 -8.441 -4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.087 -6.964 -4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.880 -7.903 -2.761 1.00 0.00 H new ATOM 528 N ARG A 34 -2.802 -4.006 -0.286 1.00 0.00 N ATOM 529 CA ARG A 34 -3.235 -2.843 0.525 1.00 0.00 C ATOM 530 C ARG A 34 -2.320 -1.652 0.302 1.00 0.00 C ATOM 531 O ARG A 34 -1.129 -1.710 0.532 1.00 0.00 O ATOM 532 CB ARG A 34 -3.266 -3.179 2.008 1.00 0.00 C ATOM 533 CG ARG A 34 -4.267 -2.235 2.668 1.00 0.00 C ATOM 534 CD ARG A 34 -4.976 -2.949 3.820 1.00 0.00 C ATOM 535 NE ARG A 34 -4.429 -2.464 5.116 1.00 0.00 N ATOM 536 CZ ARG A 34 -4.275 -1.184 5.319 1.00 0.00 C ATOM 537 NH1 ARG A 34 -5.114 -0.335 4.791 1.00 0.00 N ATOM 538 NH2 ARG A 34 -3.283 -0.753 6.051 1.00 0.00 N ATOM 0 H ARG A 34 -1.797 -4.096 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.244 -2.588 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.560 -4.218 2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.277 -3.059 2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.753 -1.348 3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.998 -1.896 1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.049 -2.762 3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.837 -4.027 3.735 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.175 -3.131 5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.889 -0.672 4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.994 0.666 4.949 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.628 -1.417 6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.163 0.247 6.209 1.00 0.00 H new ATOM 552 N ARG A 35 -2.887 -0.562 -0.115 1.00 0.00 N ATOM 553 CA ARG A 35 -2.081 0.662 -0.330 1.00 0.00 C ATOM 554 C ARG A 35 -1.938 1.385 1.004 1.00 0.00 C ATOM 555 O ARG A 35 -2.898 1.599 1.708 1.00 0.00 O ATOM 556 CB ARG A 35 -2.794 1.568 -1.333 1.00 0.00 C ATOM 557 CG ARG A 35 -2.629 0.995 -2.736 1.00 0.00 C ATOM 558 CD ARG A 35 -3.881 1.294 -3.557 1.00 0.00 C ATOM 559 NE ARG A 35 -4.368 0.043 -4.202 1.00 0.00 N ATOM 560 CZ ARG A 35 -3.813 -0.379 -5.304 1.00 0.00 C ATOM 561 NH1 ARG A 35 -2.574 -0.779 -5.295 1.00 0.00 N ATOM 562 NH2 ARG A 35 -4.498 -0.399 -6.414 1.00 0.00 N ATOM 0 H ARG A 35 -3.882 -0.466 -0.318 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.097 0.403 -0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.852 1.646 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.380 2.576 -1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.753 1.430 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.463 -0.081 -2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.658 1.710 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.659 2.044 -4.316 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.135 -0.483 -3.782 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.039 -0.762 -4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.138 -1.109 -6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.468 -0.084 -6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.063 -0.729 -7.276 1.00 0.00 H new ATOM 576 N GLY A 36 -0.747 1.751 1.367 1.00 0.00 N ATOM 577 CA GLY A 36 -0.551 2.456 2.665 1.00 0.00 C ATOM 578 C GLY A 36 0.533 3.531 2.524 1.00 0.00 C ATOM 579 O GLY A 36 0.852 3.970 1.437 1.00 0.00 O ATOM 0 H GLY A 36 0.102 1.594 0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.488 2.913 2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.266 1.741 3.437 1.00 0.00 H new ATOM 583 N CYS A 37 1.098 3.953 3.624 1.00 0.00 N ATOM 584 CA CYS A 37 2.163 4.997 3.578 1.00 0.00 C ATOM 585 C CYS A 37 3.346 4.510 4.407 1.00 0.00 C ATOM 586 O CYS A 37 3.212 4.226 5.582 1.00 0.00 O ATOM 587 CB CYS A 37 1.635 6.309 4.163 1.00 0.00 C ATOM 588 SG CYS A 37 -0.127 6.485 3.782 1.00 0.00 S ATOM 0 H CYS A 37 0.866 3.617 4.559 1.00 0.00 H new ATOM 0 HA CYS A 37 2.468 5.172 2.546 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.786 6.324 5.242 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.191 7.151 3.752 1.00 0.00 H new ATOM 593 N GLY A 38 4.495 4.364 3.810 1.00 0.00 N ATOM 594 CA GLY A 38 5.651 3.842 4.579 1.00 0.00 C ATOM 595 C GLY A 38 5.851 2.418 4.101 1.00 0.00 C ATOM 596 O GLY A 38 4.904 1.751 3.771 1.00 0.00 O ATOM 0 H GLY A 38 4.680 4.582 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.543 4.443 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.454 3.871 5.651 1.00 0.00 H new ATOM 600 N CYS A 39 7.052 1.952 4.010 1.00 0.00 N ATOM 601 CA CYS A 39 7.243 0.577 3.473 1.00 0.00 C ATOM 602 C CYS A 39 6.579 -0.479 4.347 1.00 0.00 C ATOM 603 O CYS A 39 6.122 -0.229 5.444 1.00 0.00 O ATOM 604 CB CYS A 39 8.728 0.257 3.330 1.00 0.00 C ATOM 605 SG CYS A 39 9.310 0.902 1.756 1.00 0.00 S ATOM 0 H CYS A 39 7.902 2.448 4.277 1.00 0.00 H new ATOM 0 HA CYS A 39 6.766 0.553 2.493 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.291 0.701 4.151 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.889 -0.820 3.379 1.00 0.00 H new ATOM 610 N PHE A 40 6.524 -1.666 3.817 1.00 0.00 N ATOM 611 CA PHE A 40 5.888 -2.818 4.531 1.00 0.00 C ATOM 612 C PHE A 40 6.715 -3.174 5.763 1.00 0.00 C ATOM 613 O PHE A 40 7.650 -2.485 6.118 1.00 0.00 O ATOM 614 CB PHE A 40 5.806 -4.048 3.595 1.00 0.00 C ATOM 615 CG PHE A 40 6.680 -3.814 2.388 1.00 0.00 C ATOM 616 CD1 PHE A 40 8.034 -4.151 2.431 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.144 -3.195 1.252 1.00 0.00 C ATOM 618 CE1 PHE A 40 8.860 -3.871 1.334 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.967 -2.922 0.152 1.00 0.00 C ATOM 620 CZ PHE A 40 8.328 -3.255 0.193 1.00 0.00 C ATOM 0 H PHE A 40 6.901 -1.897 2.898 1.00 0.00 H new ATOM 0 HA PHE A 40 4.880 -2.533 4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.129 -4.944 4.124 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.775 -4.215 3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.445 -4.627 3.309 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.098 -2.929 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.908 -4.130 1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.552 -2.454 -0.729 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.965 -3.038 -0.652 1.00 0.00 H new ATOM 630 N THR A 41 6.365 -4.236 6.424 1.00 0.00 N ATOM 631 CA THR A 41 7.119 -4.630 7.648 1.00 0.00 C ATOM 632 C THR A 41 8.367 -5.461 7.279 1.00 0.00 C ATOM 633 O THR A 41 9.470 -5.060 7.595 1.00 0.00 O ATOM 634 CB THR A 41 6.181 -5.392 8.609 1.00 0.00 C ATOM 635 OG1 THR A 41 5.691 -4.487 9.589 1.00 0.00 O ATOM 636 CG2 THR A 41 6.922 -6.536 9.312 1.00 0.00 C ATOM 0 H THR A 41 5.590 -4.850 6.173 1.00 0.00 H new ATOM 0 HA THR A 41 7.475 -3.735 8.158 1.00 0.00 H new ATOM 0 HB THR A 41 5.360 -5.815 8.030 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.093 -4.962 10.203 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.237 -7.055 9.983 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.301 -7.236 8.567 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.755 -6.131 9.887 1.00 0.00 H new ATOM 644 N PRO A 42 8.175 -6.596 6.645 1.00 0.00 N ATOM 645 CA PRO A 42 9.292 -7.474 6.268 1.00 0.00 C ATOM 646 C PRO A 42 9.904 -7.031 4.936 1.00 0.00 C ATOM 647 O PRO A 42 10.101 -7.830 4.041 1.00 0.00 O ATOM 648 CB PRO A 42 8.631 -8.847 6.128 1.00 0.00 C ATOM 649 CG PRO A 42 7.129 -8.585 5.863 1.00 0.00 C ATOM 650 CD PRO A 42 6.854 -7.117 6.250 1.00 0.00 C ATOM 0 HA PRO A 42 10.106 -7.463 6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 42 9.077 -9.411 5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.768 -9.438 7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.886 -8.760 4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.509 -9.262 6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.438 -6.555 5.414 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.137 -7.048 7.068 1.00 0.00 H new ATOM 658 N ARG A 43 10.210 -5.771 4.790 1.00 0.00 N ATOM 659 CA ARG A 43 10.808 -5.310 3.505 1.00 0.00 C ATOM 660 C ARG A 43 12.034 -6.160 3.192 1.00 0.00 C ATOM 661 O ARG A 43 12.732 -6.611 4.078 1.00 0.00 O ATOM 662 CB ARG A 43 11.235 -3.845 3.611 1.00 0.00 C ATOM 663 CG ARG A 43 11.648 -3.526 5.049 1.00 0.00 C ATOM 664 CD ARG A 43 10.551 -2.698 5.722 1.00 0.00 C ATOM 665 NE ARG A 43 11.155 -1.845 6.784 1.00 0.00 N ATOM 666 CZ ARG A 43 10.449 -0.898 7.340 1.00 0.00 C ATOM 667 NH1 ARG A 43 9.235 -1.145 7.750 1.00 0.00 N ATOM 668 NH2 ARG A 43 10.957 0.295 7.485 1.00 0.00 N ATOM 0 H ARG A 43 10.074 -5.048 5.496 1.00 0.00 H new ATOM 0 HA ARG A 43 10.065 -5.409 2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.066 -3.649 2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.415 -3.195 3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.814 -4.449 5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.589 -2.976 5.055 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.046 -2.075 4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.797 -3.356 6.154 1.00 0.00 H new ATOM 0 HE ARG A 43 12.120 -2.001 7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.838 -2.078 7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.683 -0.405 8.184 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.906 0.488 7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.405 1.035 7.919 1.00 0.00 H new ATOM 682 N GLY A 44 12.302 -6.383 1.938 1.00 0.00 N ATOM 683 CA GLY A 44 13.481 -7.202 1.575 1.00 0.00 C ATOM 684 C GLY A 44 13.308 -7.753 0.159 1.00 0.00 C ATOM 685 O GLY A 44 12.409 -7.371 -0.562 1.00 0.00 O ATOM 0 H GLY A 44 11.755 -6.033 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.387 -6.599 1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.598 -8.022 2.283 1.00 0.00 H new ATOM 689 N ASP A 45 14.169 -8.648 -0.247 1.00 0.00 N ATOM 690 CA ASP A 45 14.056 -9.218 -1.618 1.00 0.00 C ATOM 691 C ASP A 45 13.233 -10.509 -1.582 1.00 0.00 C ATOM 692 O ASP A 45 12.877 -11.051 -2.608 1.00 0.00 O ATOM 693 CB ASP A 45 15.454 -9.522 -2.160 1.00 0.00 C ATOM 694 CG ASP A 45 15.648 -8.800 -3.494 1.00 0.00 C ATOM 695 OD1 ASP A 45 15.486 -7.590 -3.520 1.00 0.00 O ATOM 696 OD2 ASP A 45 15.955 -9.468 -4.468 1.00 0.00 O ATOM 0 H ASP A 45 14.943 -9.007 0.311 1.00 0.00 H new ATOM 0 HA ASP A 45 13.560 -8.495 -2.265 1.00 0.00 H new ATOM 0 HB2 ASP A 45 16.211 -9.200 -1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.579 -10.597 -2.294 1.00 0.00 H new ATOM 701 N MET A 46 12.927 -11.010 -0.415 1.00 0.00 N ATOM 702 CA MET A 46 12.128 -12.267 -0.347 1.00 0.00 C ATOM 703 C MET A 46 10.697 -11.984 -0.818 1.00 0.00 C ATOM 704 O MET A 46 10.205 -12.637 -1.717 1.00 0.00 O ATOM 705 CB MET A 46 12.113 -12.806 1.086 1.00 0.00 C ATOM 706 CG MET A 46 12.579 -14.263 1.088 1.00 0.00 C ATOM 707 SD MET A 46 11.389 -15.279 0.176 1.00 0.00 S ATOM 708 CE MET A 46 12.534 -15.898 -1.081 1.00 0.00 C ATOM 0 H MET A 46 13.192 -10.609 0.484 1.00 0.00 H new ATOM 0 HA MET A 46 12.581 -13.018 -0.995 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.765 -12.204 1.719 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.108 -12.734 1.503 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.565 -14.341 0.631 1.00 0.00 H new ATOM 0 HG3 MET A 46 12.673 -14.625 2.112 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.108 -16.781 -1.558 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.703 -15.126 -1.831 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.482 -16.161 -0.612 1.00 0.00 H new ATOM 718 N PRO A 47 10.075 -11.011 -0.203 1.00 0.00 N ATOM 719 CA PRO A 47 8.703 -10.607 -0.547 1.00 0.00 C ATOM 720 C PRO A 47 8.746 -9.670 -1.759 1.00 0.00 C ATOM 721 O PRO A 47 9.804 -9.235 -2.167 1.00 0.00 O ATOM 722 CB PRO A 47 8.228 -9.872 0.711 1.00 0.00 C ATOM 723 CG PRO A 47 9.504 -9.393 1.445 1.00 0.00 C ATOM 724 CD PRO A 47 10.675 -10.226 0.891 1.00 0.00 C ATOM 0 HA PRO A 47 8.044 -11.433 -0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.590 -9.028 0.450 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.639 -10.532 1.347 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.672 -8.329 1.275 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.406 -9.532 2.522 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.481 -9.588 0.528 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.101 -10.873 1.658 1.00 0.00 H new ATOM 732 N GLY A 48 7.624 -9.352 -2.345 1.00 0.00 N ATOM 733 CA GLY A 48 7.656 -8.447 -3.521 1.00 0.00 C ATOM 734 C GLY A 48 6.514 -7.423 -3.469 1.00 0.00 C ATOM 735 O GLY A 48 5.774 -7.288 -4.423 1.00 0.00 O ATOM 0 H GLY A 48 6.699 -9.676 -2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.613 -7.926 -3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.579 -9.034 -4.436 1.00 0.00 H new ATOM 739 N PRO A 49 6.411 -6.711 -2.371 1.00 0.00 N ATOM 740 CA PRO A 49 5.378 -5.678 -2.204 1.00 0.00 C ATOM 741 C PRO A 49 5.825 -4.384 -2.901 1.00 0.00 C ATOM 742 O PRO A 49 6.716 -4.404 -3.727 1.00 0.00 O ATOM 743 CB PRO A 49 5.290 -5.507 -0.689 1.00 0.00 C ATOM 744 CG PRO A 49 6.626 -6.024 -0.104 1.00 0.00 C ATOM 745 CD PRO A 49 7.296 -6.865 -1.198 1.00 0.00 C ATOM 0 HA PRO A 49 4.414 -5.937 -2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.132 -4.461 -0.426 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.448 -6.068 -0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.266 -5.192 0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.450 -6.623 0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.304 -6.510 -1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.383 -7.910 -0.900 1.00 0.00 H new ATOM 753 N TYR A 50 5.218 -3.264 -2.602 1.00 0.00 N ATOM 754 CA TYR A 50 5.637 -2.010 -3.296 1.00 0.00 C ATOM 755 C TYR A 50 5.903 -0.870 -2.303 1.00 0.00 C ATOM 756 O TYR A 50 5.349 -0.808 -1.225 1.00 0.00 O ATOM 757 CB TYR A 50 4.551 -1.585 -4.285 1.00 0.00 C ATOM 758 CG TYR A 50 5.091 -1.705 -5.690 1.00 0.00 C ATOM 759 CD1 TYR A 50 5.342 -2.969 -6.236 1.00 0.00 C ATOM 760 CD2 TYR A 50 5.348 -0.553 -6.444 1.00 0.00 C ATOM 761 CE1 TYR A 50 5.849 -3.083 -7.536 1.00 0.00 C ATOM 762 CE2 TYR A 50 5.857 -0.667 -7.744 1.00 0.00 C ATOM 763 CZ TYR A 50 6.107 -1.932 -8.289 1.00 0.00 C ATOM 764 OH TYR A 50 6.611 -2.043 -9.569 1.00 0.00 O ATOM 0 H TYR A 50 4.465 -3.163 -1.921 1.00 0.00 H new ATOM 0 HA TYR A 50 6.567 -2.216 -3.825 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.668 -2.212 -4.166 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.242 -0.559 -4.087 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.144 -3.857 -5.654 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.154 0.423 -6.023 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.041 -4.059 -7.957 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.057 0.221 -8.326 1.00 0.00 H new ATOM 0 HH TYR A 50 6.731 -1.149 -9.952 1.00 0.00 H new ATOM 774 N CYS A 51 6.758 0.036 -2.698 1.00 0.00 N ATOM 775 CA CYS A 51 7.118 1.215 -1.853 1.00 0.00 C ATOM 776 C CYS A 51 7.396 2.383 -2.796 1.00 0.00 C ATOM 777 O CYS A 51 8.384 2.392 -3.503 1.00 0.00 O ATOM 778 CB CYS A 51 8.403 0.926 -1.091 1.00 0.00 C ATOM 779 SG CYS A 51 8.039 0.061 0.437 1.00 0.00 S ATOM 0 H CYS A 51 7.236 0.007 -3.598 1.00 0.00 H new ATOM 0 HA CYS A 51 6.312 1.434 -1.153 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.072 0.325 -1.707 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.923 1.859 -0.874 1.00 0.00 H new ATOM 784 N CYS A 52 6.553 3.363 -2.821 1.00 0.00 N ATOM 785 CA CYS A 52 6.799 4.515 -3.731 1.00 0.00 C ATOM 786 C CYS A 52 6.983 5.769 -2.899 1.00 0.00 C ATOM 787 O CYS A 52 6.622 5.812 -1.743 1.00 0.00 O ATOM 788 CB CYS A 52 5.615 4.693 -4.680 1.00 0.00 C ATOM 789 SG CYS A 52 5.918 6.071 -5.813 1.00 0.00 S ATOM 0 H CYS A 52 5.706 3.423 -2.256 1.00 0.00 H new ATOM 0 HA CYS A 52 7.696 4.329 -4.321 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.454 3.776 -5.247 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.706 4.878 -4.107 1.00 0.00 H new ATOM 794 N GLU A 53 7.545 6.785 -3.474 1.00 0.00 N ATOM 795 CA GLU A 53 7.761 8.042 -2.705 1.00 0.00 C ATOM 796 C GLU A 53 6.954 9.181 -3.327 1.00 0.00 C ATOM 797 O GLU A 53 7.436 10.282 -3.503 1.00 0.00 O ATOM 798 CB GLU A 53 9.245 8.394 -2.690 1.00 0.00 C ATOM 799 CG GLU A 53 10.065 7.128 -2.431 1.00 0.00 C ATOM 800 CD GLU A 53 11.134 6.977 -3.516 1.00 0.00 C ATOM 801 OE1 GLU A 53 10.768 6.952 -4.679 1.00 0.00 O ATOM 802 OE2 GLU A 53 12.298 6.892 -3.164 1.00 0.00 O ATOM 0 H GLU A 53 7.866 6.805 -4.442 1.00 0.00 H new ATOM 0 HA GLU A 53 7.424 7.894 -1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.534 8.839 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.446 9.136 -1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.535 7.181 -1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.413 6.255 -2.425 1.00 0.00 H new ATOM 809 N SER A 54 5.718 8.917 -3.639 1.00 0.00 N ATOM 810 CA SER A 54 4.844 9.967 -4.228 1.00 0.00 C ATOM 811 C SER A 54 3.444 9.795 -3.643 1.00 0.00 C ATOM 812 O SER A 54 3.064 8.710 -3.251 1.00 0.00 O ATOM 813 CB SER A 54 4.794 9.805 -5.747 1.00 0.00 C ATOM 814 OG SER A 54 5.698 8.783 -6.141 1.00 0.00 O ATOM 0 H SER A 54 5.271 8.009 -3.510 1.00 0.00 H new ATOM 0 HA SER A 54 5.233 10.959 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.782 9.553 -6.064 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.056 10.745 -6.233 1.00 0.00 H new ATOM 0 HG SER A 54 5.339 7.910 -5.878 1.00 0.00 H new ATOM 820 N ASP A 55 2.668 10.837 -3.568 1.00 0.00 N ATOM 821 CA ASP A 55 1.311 10.670 -2.984 1.00 0.00 C ATOM 822 C ASP A 55 0.461 9.822 -3.928 1.00 0.00 C ATOM 823 O ASP A 55 0.703 9.772 -5.118 1.00 0.00 O ATOM 824 CB ASP A 55 0.644 12.030 -2.772 1.00 0.00 C ATOM 825 CG ASP A 55 1.685 13.079 -2.388 1.00 0.00 C ATOM 826 OD1 ASP A 55 2.617 13.271 -3.150 1.00 0.00 O ATOM 827 OD2 ASP A 55 1.527 13.675 -1.331 1.00 0.00 O ATOM 0 H ASP A 55 2.907 11.779 -3.879 1.00 0.00 H new ATOM 0 HA ASP A 55 1.400 10.175 -2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.129 12.336 -3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.111 11.954 -1.989 1.00 0.00 H new ATOM 832 N LYS A 56 -0.520 9.142 -3.393 1.00 0.00 N ATOM 833 CA LYS A 56 -1.390 8.269 -4.237 1.00 0.00 C ATOM 834 C LYS A 56 -0.522 7.558 -5.276 1.00 0.00 C ATOM 835 O LYS A 56 -0.914 7.373 -6.411 1.00 0.00 O ATOM 836 CB LYS A 56 -2.448 9.124 -4.938 1.00 0.00 C ATOM 837 CG LYS A 56 -1.783 10.026 -5.977 1.00 0.00 C ATOM 838 CD LYS A 56 -2.860 10.814 -6.725 1.00 0.00 C ATOM 839 CE LYS A 56 -2.207 11.672 -7.809 1.00 0.00 C ATOM 840 NZ LYS A 56 -3.232 12.570 -8.414 1.00 0.00 N ATOM 0 H LYS A 56 -0.757 9.154 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.890 7.529 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.186 8.482 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.982 9.730 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.088 10.710 -5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.202 9.426 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.580 10.130 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.411 11.446 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.397 12.263 -7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.767 11.035 -8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.790 13.154 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.991 11.997 -8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.632 13.186 -7.678 1.00 0.00 H new ATOM 854 N CYS A 57 0.673 7.189 -4.898 1.00 0.00 N ATOM 855 CA CYS A 57 1.592 6.527 -5.864 1.00 0.00 C ATOM 856 C CYS A 57 1.408 5.001 -5.869 1.00 0.00 C ATOM 857 O CYS A 57 1.943 4.324 -6.724 1.00 0.00 O ATOM 858 CB CYS A 57 3.030 6.860 -5.473 1.00 0.00 C ATOM 859 SG CYS A 57 4.160 6.312 -6.773 1.00 0.00 S ATOM 0 H CYS A 57 1.051 7.319 -3.960 1.00 0.00 H new ATOM 0 HA CYS A 57 1.365 6.893 -6.865 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.135 7.934 -5.316 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.282 6.374 -4.530 1.00 0.00 H new ATOM 864 N ASN A 58 0.676 4.434 -4.943 1.00 0.00 N ATOM 865 CA ASN A 58 0.519 2.959 -4.966 1.00 0.00 C ATOM 866 C ASN A 58 -0.773 2.580 -5.693 1.00 0.00 C ATOM 867 O ASN A 58 -1.550 1.776 -5.222 1.00 0.00 O ATOM 868 CB ASN A 58 0.497 2.397 -3.542 1.00 0.00 C ATOM 869 CG ASN A 58 -0.258 3.329 -2.594 1.00 0.00 C ATOM 870 OD1 ASN A 58 -0.843 4.306 -3.017 1.00 0.00 O ATOM 871 ND2 ASN A 58 -0.267 3.062 -1.309 1.00 0.00 N ATOM 0 H ASN A 58 0.192 4.921 -4.189 1.00 0.00 H new ATOM 0 HA ASN A 58 1.369 2.531 -5.497 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.025 1.414 -3.543 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.518 2.260 -3.186 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.766 3.675 -0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.225 2.241 -0.955 1.00 0.00 H new ATOM 878 N LEU A 59 -1.007 3.144 -6.846 1.00 0.00 N ATOM 879 CA LEU A 59 -2.245 2.803 -7.600 1.00 0.00 C ATOM 880 C LEU A 59 -1.880 1.982 -8.839 1.00 0.00 C ATOM 881 O LEU A 59 -2.141 2.451 -9.935 1.00 0.00 O ATOM 882 CB LEU A 59 -2.948 4.091 -8.032 1.00 0.00 C ATOM 883 CG LEU A 59 -4.458 3.927 -7.856 1.00 0.00 C ATOM 884 CD1 LEU A 59 -4.949 2.765 -8.720 1.00 0.00 C ATOM 885 CD2 LEU A 59 -4.772 3.637 -6.387 1.00 0.00 C ATOM 886 OXT LEU A 59 -1.346 0.898 -8.671 1.00 0.00 O ATOM 0 H LEU A 59 -0.396 3.825 -7.297 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.910 2.221 -6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.590 4.931 -7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.714 4.315 -9.073 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.961 4.845 -8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.025 2.648 -8.595 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.726 2.970 -9.767 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.446 1.847 -8.415 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.848 3.520 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.269 2.719 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.422 4.465 -5.770 1.00 0.00 H new