USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 401 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 8 LYS NZ :NH3+ -163:sc= 0.498 (180deg=0.186) USER MOD Set 1.2: A 39 ASN : amide:sc= 0.516 K(o=1,f=-1.1) USER MOD Single : A 1 SER N :NH3+ 166:sc= 1.09 (180deg=0.0747) USER MOD Single : A 1 SER OG : rot 180:sc= 0.13 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0.945 (180deg=0.945) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 158:sc= 1.27 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -52:sc= 0.969 USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 2.33 (180deg=1.01) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 33 TYR OH : rot -58:sc= 1.28 USER MOD Single : A 41 ASN : amide:sc= 3.05 K(o=3.1,f=-7.7!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0.974 F(o=-0.13,f=0.97) USER MOD Single : A 45 THR OG1 : rot -160:sc= 0.754 USER MOD Single : A 47 HIS : no HD1:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 48 GLN : amide:sc= 0.75 K(o=0.75,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.359 -0.135 6.511 1.00 3.59 N ATOM 2 CA SER A 1 -11.893 -0.300 5.157 1.00 2.55 C ATOM 3 C SER A 1 -10.831 0.086 4.165 1.00 1.40 C ATOM 4 O SER A 1 -10.834 1.230 3.737 1.00 0.96 O ATOM 5 CB SER A 1 -13.145 0.559 5.023 1.00 3.38 C ATOM 6 OG SER A 1 -13.907 0.327 6.196 1.00 4.89 O ATOM 0 H1 SER A 1 -12.139 -0.167 7.198 1.00 3.59 H new ATOM 0 H2 SER A 1 -10.687 -0.902 6.715 1.00 3.59 H new ATOM 0 H3 SER A 1 -10.872 0.781 6.583 1.00 3.59 H new ATOM 0 HA SER A 1 -12.170 -1.336 4.961 1.00 2.55 H new ATOM 0 HB2 SER A 1 -12.886 1.614 4.928 1.00 3.38 H new ATOM 0 HB3 SER A 1 -13.710 0.288 4.131 1.00 3.38 H new ATOM 0 HG SER A 1 -14.729 0.860 6.163 1.00 4.89 H new ATOM 14 N ILE A 2 -9.962 -0.870 3.827 1.00 1.49 N ATOM 15 CA ILE A 2 -8.552 -0.715 3.480 1.00 1.22 C ATOM 16 C ILE A 2 -8.150 0.582 2.785 1.00 1.03 C ATOM 17 O ILE A 2 -7.061 1.092 3.017 1.00 1.17 O ATOM 18 CB ILE A 2 -8.080 -1.956 2.697 1.00 1.14 C ATOM 19 CG1 ILE A 2 -8.687 -2.032 1.285 1.00 1.07 C ATOM 20 CG2 ILE A 2 -8.388 -3.258 3.446 1.00 1.31 C ATOM 21 CD1 ILE A 2 -7.735 -1.451 0.240 1.00 2.44 C ATOM 0 H ILE A 2 -10.251 -1.847 3.787 1.00 1.49 H new ATOM 0 HA ILE A 2 -8.032 -0.635 4.434 1.00 1.22 H new ATOM 0 HB ILE A 2 -7.000 -1.844 2.603 1.00 1.14 H new ATOM 0 HG12 ILE A 2 -8.912 -3.070 1.039 1.00 1.07 H new ATOM 0 HG13 ILE A 2 -9.631 -1.488 1.263 1.00 1.07 H new ATOM 0 HG21 ILE A 2 -8.039 -4.107 2.859 1.00 1.31 H new ATOM 0 HG22 ILE A 2 -7.881 -3.251 4.411 1.00 1.31 H new ATOM 0 HG23 ILE A 2 -9.464 -3.343 3.602 1.00 1.31 H new ATOM 0 HD11 ILE A 2 -8.193 -1.519 -0.747 1.00 2.44 H new ATOM 0 HD12 ILE A 2 -7.532 -0.406 0.474 1.00 2.44 H new ATOM 0 HD13 ILE A 2 -6.801 -2.013 0.246 1.00 2.44 H new ATOM 33 N CYS A 3 -9.015 1.138 1.948 1.00 0.95 N ATOM 34 CA CYS A 3 -8.691 2.372 1.235 1.00 0.89 C ATOM 35 C CYS A 3 -8.703 3.585 2.164 1.00 0.83 C ATOM 36 O CYS A 3 -8.194 4.643 1.812 1.00 1.04 O ATOM 37 CB CYS A 3 -9.599 2.511 0.013 1.00 0.93 C ATOM 38 SG CYS A 3 -9.113 1.336 -1.280 1.00 1.86 S ATOM 0 H CYS A 3 -9.940 0.760 1.745 1.00 0.95 H new ATOM 0 HA CYS A 3 -7.667 2.322 0.866 1.00 0.89 H new ATOM 0 HB2 CYS A 3 -10.635 2.335 0.301 1.00 0.93 H new ATOM 0 HB3 CYS A 3 -9.544 3.529 -0.374 1.00 0.93 H new ATOM 43 N SER A 4 -9.239 3.431 3.372 1.00 0.82 N ATOM 44 CA SER A 4 -9.033 4.389 4.445 1.00 0.91 C ATOM 45 C SER A 4 -7.613 4.200 4.989 1.00 0.76 C ATOM 46 O SER A 4 -6.857 5.160 5.094 1.00 0.93 O ATOM 47 CB SER A 4 -10.104 4.213 5.535 1.00 1.18 C ATOM 48 OG SER A 4 -10.621 5.466 5.942 1.00 1.79 O ATOM 0 H SER A 4 -9.827 2.639 3.630 1.00 0.82 H new ATOM 0 HA SER A 4 -9.134 5.409 4.075 1.00 0.91 H new ATOM 0 HB2 SER A 4 -10.913 3.587 5.158 1.00 1.18 H new ATOM 0 HB3 SER A 4 -9.674 3.696 6.393 1.00 1.18 H new ATOM 0 HG SER A 4 -11.301 5.330 6.634 1.00 1.79 H new ATOM 54 N GLU A 5 -7.263 2.962 5.350 1.00 0.84 N ATOM 55 CA GLU A 5 -6.010 2.595 5.995 1.00 0.74 C ATOM 56 C GLU A 5 -4.800 2.912 5.100 1.00 0.77 C ATOM 57 O GLU A 5 -4.563 2.180 4.143 1.00 1.41 O ATOM 58 CB GLU A 5 -6.023 1.090 6.317 1.00 1.04 C ATOM 59 CG GLU A 5 -7.104 0.675 7.336 1.00 1.48 C ATOM 60 CD GLU A 5 -8.478 0.361 6.754 1.00 2.98 C ATOM 61 OE1 GLU A 5 -9.158 1.282 6.248 1.00 4.53 O ATOM 62 OE2 GLU A 5 -8.916 -0.807 6.842 1.00 3.71 O ATOM 0 H GLU A 5 -7.873 2.160 5.192 1.00 0.84 H new ATOM 0 HA GLU A 5 -5.918 3.179 6.911 1.00 0.74 H new ATOM 0 HB2 GLU A 5 -6.177 0.533 5.393 1.00 1.04 H new ATOM 0 HB3 GLU A 5 -5.045 0.803 6.703 1.00 1.04 H new ATOM 0 HG2 GLU A 5 -6.750 -0.203 7.876 1.00 1.48 H new ATOM 0 HG3 GLU A 5 -7.214 1.476 8.067 1.00 1.48 H new ATOM 69 N PRO A 6 -3.976 3.928 5.397 1.00 0.76 N ATOM 70 CA PRO A 6 -2.917 4.329 4.484 1.00 1.06 C ATOM 71 C PRO A 6 -1.698 3.402 4.574 1.00 0.81 C ATOM 72 O PRO A 6 -1.617 2.523 5.443 1.00 0.82 O ATOM 73 CB PRO A 6 -2.570 5.757 4.909 1.00 1.64 C ATOM 74 CG PRO A 6 -2.806 5.729 6.418 1.00 1.70 C ATOM 75 CD PRO A 6 -4.032 4.822 6.545 1.00 1.23 C ATOM 0 HA PRO A 6 -3.234 4.271 3.443 1.00 1.06 H new ATOM 0 HB2 PRO A 6 -1.538 6.012 4.666 1.00 1.64 H new ATOM 0 HB3 PRO A 6 -3.205 6.492 4.414 1.00 1.64 H new ATOM 0 HG2 PRO A 6 -1.947 5.328 6.956 1.00 1.70 H new ATOM 0 HG3 PRO A 6 -2.995 6.725 6.818 1.00 1.70 H new ATOM 0 HD2 PRO A 6 -4.010 4.262 7.480 1.00 1.23 H new ATOM 0 HD3 PRO A 6 -4.953 5.405 6.544 1.00 1.23 H new ATOM 83 N LYS A 7 -0.724 3.655 3.694 1.00 0.99 N ATOM 84 CA LYS A 7 0.624 3.107 3.723 1.00 0.83 C ATOM 85 C LYS A 7 1.169 3.073 5.129 1.00 0.72 C ATOM 86 O LYS A 7 1.209 4.093 5.825 1.00 0.94 O ATOM 87 CB LYS A 7 1.545 4.001 2.887 1.00 0.87 C ATOM 88 CG LYS A 7 3.039 4.075 3.239 1.00 0.82 C ATOM 89 CD LYS A 7 3.603 5.453 2.861 1.00 1.48 C ATOM 90 CE LYS A 7 2.860 6.642 3.509 1.00 2.02 C ATOM 91 NZ LYS A 7 2.435 6.410 4.912 1.00 3.09 N ATOM 0 H LYS A 7 -0.869 4.282 2.902 1.00 0.99 H new ATOM 0 HA LYS A 7 0.585 2.092 3.326 1.00 0.83 H new ATOM 0 HB2 LYS A 7 1.468 3.673 1.850 1.00 0.87 H new ATOM 0 HB3 LYS A 7 1.147 5.015 2.931 1.00 0.87 H new ATOM 0 HG2 LYS A 7 3.179 3.896 4.305 1.00 0.82 H new ATOM 0 HG3 LYS A 7 3.584 3.293 2.711 1.00 0.82 H new ATOM 0 HD2 LYS A 7 4.653 5.495 3.150 1.00 1.48 H new ATOM 0 HD3 LYS A 7 3.566 5.563 1.777 1.00 1.48 H new ATOM 0 HE2 LYS A 7 3.507 7.519 3.479 1.00 2.02 H new ATOM 0 HE3 LYS A 7 1.980 6.875 2.910 1.00 2.02 H new ATOM 0 HZ1 LYS A 7 1.945 7.254 5.271 1.00 3.09 H new ATOM 0 HZ2 LYS A 7 1.791 5.594 4.949 1.00 3.09 H new ATOM 0 HZ3 LYS A 7 3.271 6.218 5.501 1.00 3.09 H new ATOM 105 N LYS A 8 1.741 1.920 5.432 1.00 0.70 N ATOM 106 CA LYS A 8 2.519 1.625 6.606 1.00 0.79 C ATOM 107 C LYS A 8 3.412 0.445 6.231 1.00 0.72 C ATOM 108 O LYS A 8 2.933 -0.500 5.609 1.00 0.98 O ATOM 109 CB LYS A 8 1.559 1.369 7.768 1.00 1.08 C ATOM 110 CG LYS A 8 0.518 0.271 7.513 1.00 1.24 C ATOM 111 CD LYS A 8 -0.438 0.134 8.708 1.00 2.11 C ATOM 112 CE LYS A 8 -1.118 1.446 9.137 1.00 3.96 C ATOM 113 NZ LYS A 8 -1.827 2.125 8.030 1.00 5.00 N ATOM 0 H LYS A 8 1.663 1.112 4.814 1.00 0.70 H new ATOM 0 HA LYS A 8 3.164 2.438 6.939 1.00 0.79 H new ATOM 0 HB2 LYS A 8 2.141 1.100 8.649 1.00 1.08 H new ATOM 0 HB3 LYS A 8 1.038 2.297 8.001 1.00 1.08 H new ATOM 0 HG2 LYS A 8 -0.050 0.505 6.613 1.00 1.24 H new ATOM 0 HG3 LYS A 8 1.022 -0.679 7.334 1.00 1.24 H new ATOM 0 HD2 LYS A 8 -1.209 -0.595 8.458 1.00 2.11 H new ATOM 0 HD3 LYS A 8 0.117 -0.267 9.556 1.00 2.11 H new ATOM 0 HE2 LYS A 8 -1.826 1.235 9.938 1.00 3.96 H new ATOM 0 HE3 LYS A 8 -0.366 2.121 9.546 1.00 3.96 H new ATOM 0 HZ1 LYS A 8 -2.012 3.114 8.292 1.00 5.00 H new ATOM 0 HZ2 LYS A 8 -1.239 2.098 7.173 1.00 5.00 H new ATOM 0 HZ3 LYS A 8 -2.729 1.641 7.847 1.00 5.00 H new ATOM 127 N VAL A 9 4.712 0.545 6.516 1.00 0.77 N ATOM 128 CA VAL A 9 5.698 -0.415 6.036 1.00 0.80 C ATOM 129 C VAL A 9 5.361 -1.805 6.572 1.00 1.06 C ATOM 130 O VAL A 9 5.261 -2.764 5.810 1.00 1.50 O ATOM 131 CB VAL A 9 7.113 0.043 6.444 1.00 0.81 C ATOM 132 CG1 VAL A 9 8.176 -0.942 5.943 1.00 0.94 C ATOM 133 CG2 VAL A 9 7.436 1.439 5.891 1.00 0.97 C ATOM 0 H VAL A 9 5.107 1.294 7.085 1.00 0.77 H new ATOM 0 HA VAL A 9 5.675 -0.468 4.948 1.00 0.80 H new ATOM 0 HB VAL A 9 7.129 0.078 7.533 1.00 0.81 H new ATOM 0 HG11 VAL A 9 9.164 -0.595 6.244 1.00 0.94 H new ATOM 0 HG12 VAL A 9 7.991 -1.927 6.372 1.00 0.94 H new ATOM 0 HG13 VAL A 9 8.130 -1.005 4.856 1.00 0.94 H new ATOM 0 HG21 VAL A 9 8.441 1.729 6.199 1.00 0.97 H new ATOM 0 HG22 VAL A 9 7.381 1.421 4.803 1.00 0.97 H new ATOM 0 HG23 VAL A 9 6.716 2.160 6.279 1.00 0.97 H new ATOM 143 N GLY A 10 5.182 -1.909 7.887 1.00 1.11 N ATOM 144 CA GLY A 10 4.902 -3.158 8.561 1.00 1.56 C ATOM 145 C GLY A 10 5.521 -3.106 9.947 1.00 1.42 C ATOM 146 O GLY A 10 5.913 -2.032 10.402 1.00 2.19 O ATOM 0 H GLY A 10 5.230 -1.109 8.518 1.00 1.11 H new ATOM 0 HA2 GLY A 10 3.826 -3.317 8.632 1.00 1.56 H new ATOM 0 HA3 GLY A 10 5.311 -3.994 7.994 1.00 1.56 H new ATOM 150 N ARG A 11 5.636 -4.265 10.598 1.00 1.62 N ATOM 151 CA ARG A 11 6.335 -4.395 11.873 1.00 1.84 C ATOM 152 C ARG A 11 7.794 -4.826 11.663 1.00 1.47 C ATOM 153 O ARG A 11 8.444 -5.269 12.608 1.00 1.66 O ATOM 154 CB ARG A 11 5.569 -5.370 12.783 1.00 2.51 C ATOM 155 CG ARG A 11 5.726 -4.989 14.260 1.00 2.68 C ATOM 156 CD ARG A 11 5.186 -6.112 15.157 1.00 3.53 C ATOM 157 NE ARG A 11 5.511 -5.887 16.575 1.00 4.22 N ATOM 158 CZ ARG A 11 6.708 -6.127 17.139 1.00 4.77 C ATOM 159 NH1 ARG A 11 7.740 -6.510 16.379 1.00 4.92 N ATOM 160 NH2 ARG A 11 6.866 -5.980 18.460 1.00 5.90 N ATOM 0 H ARG A 11 5.245 -5.141 10.253 1.00 1.62 H new ATOM 0 HA ARG A 11 6.367 -3.423 12.366 1.00 1.84 H new ATOM 0 HB2 ARG A 11 4.513 -5.368 12.515 1.00 2.51 H new ATOM 0 HB3 ARG A 11 5.936 -6.384 12.625 1.00 2.51 H new ATOM 0 HG2 ARG A 11 6.776 -4.806 14.486 1.00 2.68 H new ATOM 0 HG3 ARG A 11 5.190 -4.062 14.463 1.00 2.68 H new ATOM 0 HD2 ARG A 11 4.105 -6.182 15.039 1.00 3.53 H new ATOM 0 HD3 ARG A 11 5.604 -7.066 14.836 1.00 3.53 H new ATOM 0 HE ARG A 11 4.772 -5.521 17.175 1.00 4.22 H new ATOM 0 HH11 ARG A 11 7.619 -6.620 15.372 1.00 4.92 H new ATOM 0 HH12 ARG A 11 8.648 -6.692 16.806 1.00 4.92 H new ATOM 0 HH21 ARG A 11 6.079 -5.686 19.038 1.00 5.90 H new ATOM 0 HH22 ARG A 11 7.774 -6.162 18.888 1.00 5.90 H new ATOM 174 N CYS A 12 8.290 -4.730 10.425 1.00 1.40 N ATOM 175 CA CYS A 12 9.627 -5.111 9.999 1.00 1.34 C ATOM 176 C CYS A 12 10.022 -4.109 8.917 1.00 1.43 C ATOM 177 O CYS A 12 9.143 -3.461 8.351 1.00 1.71 O ATOM 178 CB CYS A 12 9.654 -6.537 9.423 1.00 1.58 C ATOM 179 SG CYS A 12 9.021 -7.869 10.476 1.00 2.17 S ATOM 0 H CYS A 12 7.732 -4.362 9.655 1.00 1.40 H new ATOM 0 HA CYS A 12 10.315 -5.102 10.844 1.00 1.34 H new ATOM 0 HB2 CYS A 12 9.080 -6.538 8.496 1.00 1.58 H new ATOM 0 HB3 CYS A 12 10.685 -6.775 9.160 1.00 1.58 H new ATOM 184 N LYS A 13 11.322 -3.967 8.640 1.00 1.72 N ATOM 185 CA LYS A 13 11.805 -3.013 7.648 1.00 2.12 C ATOM 186 C LYS A 13 11.507 -3.521 6.234 1.00 2.33 C ATOM 187 O LYS A 13 10.616 -2.997 5.574 1.00 4.19 O ATOM 188 CB LYS A 13 13.300 -2.729 7.861 1.00 2.46 C ATOM 189 CG LYS A 13 13.538 -1.976 9.179 1.00 2.93 C ATOM 190 CD LYS A 13 15.031 -1.755 9.473 1.00 3.41 C ATOM 191 CE LYS A 13 15.699 -0.823 8.449 1.00 4.52 C ATOM 192 NZ LYS A 13 17.093 -0.496 8.819 1.00 5.48 N ATOM 0 H LYS A 13 12.059 -4.506 9.094 1.00 1.72 H new ATOM 0 HA LYS A 13 11.277 -2.067 7.771 1.00 2.12 H new ATOM 0 HB2 LYS A 13 13.854 -3.668 7.870 1.00 2.46 H new ATOM 0 HB3 LYS A 13 13.684 -2.140 7.028 1.00 2.46 H new ATOM 0 HG2 LYS A 13 13.033 -1.011 9.138 1.00 2.93 H new ATOM 0 HG3 LYS A 13 13.089 -2.536 9.999 1.00 2.93 H new ATOM 0 HD2 LYS A 13 15.143 -1.333 10.472 1.00 3.41 H new ATOM 0 HD3 LYS A 13 15.544 -2.717 9.474 1.00 3.41 H new ATOM 0 HE2 LYS A 13 15.687 -1.296 7.467 1.00 4.52 H new ATOM 0 HE3 LYS A 13 15.121 0.097 8.367 1.00 4.52 H new ATOM 0 HZ1 LYS A 13 17.504 0.134 8.101 1.00 5.48 H new ATOM 0 HZ2 LYS A 13 17.104 -0.021 9.744 1.00 5.48 H new ATOM 0 HZ3 LYS A 13 17.652 -1.371 8.872 1.00 5.48 H new ATOM 206 N GLY A 14 12.250 -4.539 5.785 1.00 1.10 N ATOM 207 CA GLY A 14 12.126 -5.132 4.457 1.00 0.99 C ATOM 208 C GLY A 14 12.297 -4.121 3.315 1.00 0.92 C ATOM 209 O GLY A 14 12.567 -2.942 3.540 1.00 1.70 O ATOM 0 H GLY A 14 12.972 -4.982 6.354 1.00 1.10 H new ATOM 0 HA2 GLY A 14 12.872 -5.920 4.349 1.00 0.99 H new ATOM 0 HA3 GLY A 14 11.148 -5.605 4.369 1.00 0.99 H new ATOM 213 N TYR A 15 12.193 -4.599 2.071 1.00 0.74 N ATOM 214 CA TYR A 15 12.189 -3.763 0.885 1.00 0.65 C ATOM 215 C TYR A 15 11.321 -4.403 -0.193 1.00 0.56 C ATOM 216 O TYR A 15 11.829 -4.987 -1.148 1.00 0.71 O ATOM 217 CB TYR A 15 13.626 -3.560 0.424 1.00 0.83 C ATOM 218 CG TYR A 15 13.768 -2.639 -0.775 1.00 0.92 C ATOM 219 CD1 TYR A 15 13.481 -1.268 -0.638 1.00 0.92 C ATOM 220 CD2 TYR A 15 14.062 -3.165 -2.048 1.00 1.14 C ATOM 221 CE1 TYR A 15 13.457 -0.436 -1.770 1.00 1.10 C ATOM 222 CE2 TYR A 15 14.030 -2.333 -3.181 1.00 1.32 C ATOM 223 CZ TYR A 15 13.720 -0.970 -3.042 1.00 1.29 C ATOM 224 OH TYR A 15 13.657 -0.162 -4.138 1.00 1.52 O ATOM 0 H TYR A 15 12.108 -5.595 1.866 1.00 0.74 H new ATOM 0 HA TYR A 15 11.761 -2.785 1.103 1.00 0.65 H new ATOM 0 HB2 TYR A 15 14.208 -3.154 1.251 1.00 0.83 H new ATOM 0 HB3 TYR A 15 14.057 -4.530 0.177 1.00 0.83 H new ATOM 0 HD1 TYR A 15 13.279 -0.855 0.339 1.00 0.92 H new ATOM 0 HD2 TYR A 15 14.313 -4.210 -2.154 1.00 1.14 H new ATOM 0 HE1 TYR A 15 13.236 0.616 -1.662 1.00 1.10 H new ATOM 0 HE2 TYR A 15 14.244 -2.742 -4.158 1.00 1.32 H new ATOM 0 HH TYR A 15 13.866 -0.683 -4.941 1.00 1.52 H new ATOM 234 N PHE A 16 10.005 -4.304 -0.033 1.00 0.42 N ATOM 235 CA PHE A 16 9.049 -4.847 -0.989 1.00 0.40 C ATOM 236 C PHE A 16 8.275 -3.690 -1.626 1.00 0.40 C ATOM 237 O PHE A 16 7.363 -3.167 -0.992 1.00 0.41 O ATOM 238 CB PHE A 16 8.128 -5.844 -0.274 1.00 0.44 C ATOM 239 CG PHE A 16 8.882 -6.964 0.423 1.00 0.48 C ATOM 240 CD1 PHE A 16 9.446 -8.009 -0.331 1.00 0.74 C ATOM 241 CD2 PHE A 16 9.118 -6.901 1.808 1.00 0.65 C ATOM 242 CE1 PHE A 16 10.216 -8.999 0.304 1.00 0.95 C ATOM 243 CE2 PHE A 16 9.874 -7.898 2.447 1.00 0.76 C ATOM 244 CZ PHE A 16 10.423 -8.950 1.694 1.00 0.86 C ATOM 0 H PHE A 16 9.571 -3.843 0.767 1.00 0.42 H new ATOM 0 HA PHE A 16 9.557 -5.388 -1.787 1.00 0.40 H new ATOM 0 HB2 PHE A 16 7.525 -5.309 0.460 1.00 0.44 H new ATOM 0 HB3 PHE A 16 7.438 -6.276 -0.999 1.00 0.44 H new ATOM 0 HD1 PHE A 16 9.287 -8.051 -1.398 1.00 0.74 H new ATOM 0 HD2 PHE A 16 8.715 -6.081 2.384 1.00 0.65 H new ATOM 0 HE1 PHE A 16 10.650 -9.799 -0.277 1.00 0.95 H new ATOM 0 HE2 PHE A 16 10.033 -7.856 3.514 1.00 0.76 H new ATOM 0 HZ PHE A 16 11.003 -9.719 2.182 1.00 0.86 H new ATOM 254 N PRO A 17 8.608 -3.243 -2.847 1.00 0.47 N ATOM 255 CA PRO A 17 7.889 -2.146 -3.477 1.00 0.48 C ATOM 256 C PRO A 17 6.451 -2.579 -3.788 1.00 0.47 C ATOM 257 O PRO A 17 6.235 -3.543 -4.529 1.00 0.60 O ATOM 258 CB PRO A 17 8.693 -1.788 -4.730 1.00 0.57 C ATOM 259 CG PRO A 17 9.434 -3.080 -5.069 1.00 0.62 C ATOM 260 CD PRO A 17 9.679 -3.726 -3.705 1.00 0.57 C ATOM 0 HA PRO A 17 7.800 -1.270 -2.835 1.00 0.48 H new ATOM 0 HB2 PRO A 17 8.043 -1.474 -5.546 1.00 0.57 H new ATOM 0 HB3 PRO A 17 9.385 -0.968 -4.540 1.00 0.57 H new ATOM 0 HG2 PRO A 17 8.839 -3.725 -5.716 1.00 0.62 H new ATOM 0 HG3 PRO A 17 10.370 -2.880 -5.591 1.00 0.62 H new ATOM 0 HD2 PRO A 17 9.663 -4.813 -3.778 1.00 0.57 H new ATOM 0 HD3 PRO A 17 10.655 -3.447 -3.309 1.00 0.57 H new ATOM 268 N ARG A 18 5.478 -1.890 -3.184 1.00 0.38 N ATOM 269 CA ARG A 18 4.041 -2.060 -3.354 1.00 0.34 C ATOM 270 C ARG A 18 3.417 -0.721 -3.746 1.00 0.33 C ATOM 271 O ARG A 18 4.108 0.289 -3.851 1.00 0.41 O ATOM 272 CB ARG A 18 3.424 -2.548 -2.031 1.00 0.35 C ATOM 273 CG ARG A 18 3.760 -4.002 -1.705 1.00 0.42 C ATOM 274 CD ARG A 18 3.234 -4.931 -2.803 1.00 0.42 C ATOM 275 NE ARG A 18 4.310 -5.249 -3.740 1.00 1.56 N ATOM 276 CZ ARG A 18 4.434 -6.299 -4.555 1.00 2.23 C ATOM 277 NH1 ARG A 18 3.607 -7.342 -4.487 1.00 2.68 N ATOM 278 NH2 ARG A 18 5.389 -6.285 -5.481 1.00 3.45 N ATOM 0 H ARG A 18 5.694 -1.148 -2.518 1.00 0.38 H new ATOM 0 HA ARG A 18 3.848 -2.794 -4.136 1.00 0.34 H new ATOM 0 HB2 ARG A 18 3.774 -1.911 -1.219 1.00 0.35 H new ATOM 0 HB3 ARG A 18 2.341 -2.435 -2.080 1.00 0.35 H new ATOM 0 HG2 ARG A 18 4.839 -4.119 -1.607 1.00 0.42 H new ATOM 0 HG3 ARG A 18 3.321 -4.277 -0.746 1.00 0.42 H new ATOM 0 HD2 ARG A 18 2.842 -5.847 -2.360 1.00 0.42 H new ATOM 0 HD3 ARG A 18 2.409 -4.454 -3.331 1.00 0.42 H new ATOM 0 HE ARG A 18 5.073 -4.574 -3.776 1.00 1.56 H new ATOM 0 HH11 ARG A 18 2.854 -7.352 -3.799 1.00 2.68 H new ATOM 0 HH12 ARG A 18 3.727 -8.130 -5.123 1.00 2.68 H new ATOM 0 HH21 ARG A 18 6.012 -5.481 -5.559 1.00 3.45 H new ATOM 0 HH22 ARG A 18 5.499 -7.078 -6.113 1.00 3.45 H new ATOM 292 N PHE A 19 2.098 -0.729 -3.927 1.00 0.30 N ATOM 293 CA PHE A 19 1.233 0.416 -4.137 1.00 0.27 C ATOM 294 C PHE A 19 0.165 0.391 -3.057 1.00 0.30 C ATOM 295 O PHE A 19 -0.299 -0.684 -2.687 1.00 0.36 O ATOM 296 CB PHE A 19 0.556 0.343 -5.510 1.00 0.25 C ATOM 297 CG PHE A 19 1.393 0.874 -6.653 1.00 0.26 C ATOM 298 CD1 PHE A 19 2.429 0.089 -7.188 1.00 0.32 C ATOM 299 CD2 PHE A 19 1.125 2.146 -7.195 1.00 0.31 C ATOM 300 CE1 PHE A 19 3.168 0.554 -8.289 1.00 0.41 C ATOM 301 CE2 PHE A 19 1.869 2.614 -8.291 1.00 0.41 C ATOM 302 CZ PHE A 19 2.884 1.814 -8.845 1.00 0.44 C ATOM 0 H PHE A 19 1.573 -1.604 -3.930 1.00 0.30 H new ATOM 0 HA PHE A 19 1.822 1.332 -4.094 1.00 0.27 H new ATOM 0 HB2 PHE A 19 0.297 -0.695 -5.718 1.00 0.25 H new ATOM 0 HB3 PHE A 19 -0.378 0.903 -5.470 1.00 0.25 H new ATOM 0 HD1 PHE A 19 2.657 -0.873 -6.752 1.00 0.32 H new ATOM 0 HD2 PHE A 19 0.347 2.762 -6.768 1.00 0.31 H new ATOM 0 HE1 PHE A 19 3.954 -0.056 -8.708 1.00 0.41 H new ATOM 0 HE2 PHE A 19 1.661 3.588 -8.708 1.00 0.41 H new ATOM 0 HZ PHE A 19 3.445 2.167 -9.697 1.00 0.44 H new ATOM 312 N TYR A 20 -0.240 1.560 -2.570 1.00 0.30 N ATOM 313 CA TYR A 20 -1.384 1.710 -1.690 1.00 0.33 C ATOM 314 C TYR A 20 -2.298 2.751 -2.317 1.00 0.30 C ATOM 315 O TYR A 20 -1.825 3.619 -3.054 1.00 0.31 O ATOM 316 CB TYR A 20 -0.942 2.142 -0.285 1.00 0.39 C ATOM 317 CG TYR A 20 -0.390 3.553 -0.165 1.00 0.43 C ATOM 318 CD1 TYR A 20 0.850 3.881 -0.742 1.00 0.47 C ATOM 319 CD2 TYR A 20 -1.054 4.508 0.626 1.00 0.47 C ATOM 320 CE1 TYR A 20 1.421 5.147 -0.536 1.00 0.55 C ATOM 321 CE2 TYR A 20 -0.441 5.744 0.902 1.00 0.53 C ATOM 322 CZ TYR A 20 0.769 6.084 0.275 1.00 0.57 C ATOM 323 OH TYR A 20 1.364 7.283 0.515 1.00 0.67 O ATOM 0 H TYR A 20 0.228 2.441 -2.782 1.00 0.30 H new ATOM 0 HA TYR A 20 -1.907 0.761 -1.576 1.00 0.33 H new ATOM 0 HB2 TYR A 20 -1.795 2.048 0.387 1.00 0.39 H new ATOM 0 HB3 TYR A 20 -0.181 1.444 0.066 1.00 0.39 H new ATOM 0 HD1 TYR A 20 1.367 3.153 -1.349 1.00 0.47 H new ATOM 0 HD2 TYR A 20 -2.035 4.292 1.022 1.00 0.47 H new ATOM 0 HE1 TYR A 20 2.362 5.398 -1.003 1.00 0.55 H new ATOM 0 HE2 TYR A 20 -0.901 6.432 1.596 1.00 0.53 H new ATOM 0 HH TYR A 20 0.685 7.937 0.784 1.00 0.67 H new ATOM 333 N PHE A 21 -3.591 2.677 -2.008 1.00 0.32 N ATOM 334 CA PHE A 21 -4.475 3.808 -2.187 1.00 0.33 C ATOM 335 C PHE A 21 -4.168 4.788 -1.059 1.00 0.38 C ATOM 336 O PHE A 21 -4.526 4.537 0.091 1.00 0.46 O ATOM 337 CB PHE A 21 -5.941 3.373 -2.183 1.00 0.38 C ATOM 338 CG PHE A 21 -6.874 4.546 -2.389 1.00 0.43 C ATOM 339 CD1 PHE A 21 -6.989 5.144 -3.656 1.00 0.67 C ATOM 340 CD2 PHE A 21 -7.426 5.188 -1.270 1.00 0.65 C ATOM 341 CE1 PHE A 21 -7.711 6.340 -3.804 1.00 0.96 C ATOM 342 CE2 PHE A 21 -8.215 6.337 -1.425 1.00 0.67 C ATOM 343 CZ PHE A 21 -8.366 6.911 -2.698 1.00 0.78 C ATOM 0 H PHE A 21 -4.042 1.842 -1.633 1.00 0.32 H new ATOM 0 HA PHE A 21 -4.311 4.282 -3.155 1.00 0.33 H new ATOM 0 HB2 PHE A 21 -6.104 2.636 -2.969 1.00 0.38 H new ATOM 0 HB3 PHE A 21 -6.173 2.885 -1.236 1.00 0.38 H new ATOM 0 HD1 PHE A 21 -6.523 4.684 -4.515 1.00 0.67 H new ATOM 0 HD2 PHE A 21 -7.242 4.794 -0.281 1.00 0.65 H new ATOM 0 HE1 PHE A 21 -7.763 6.822 -4.769 1.00 0.96 H new ATOM 0 HE2 PHE A 21 -8.704 6.778 -0.569 1.00 0.67 H new ATOM 0 HZ PHE A 21 -8.983 7.788 -2.827 1.00 0.78 H new ATOM 353 N ASP A 22 -3.466 5.865 -1.388 1.00 0.40 N ATOM 354 CA ASP A 22 -3.213 6.991 -0.517 1.00 0.46 C ATOM 355 C ASP A 22 -4.491 7.822 -0.447 1.00 0.47 C ATOM 356 O ASP A 22 -4.955 8.330 -1.470 1.00 0.52 O ATOM 357 CB ASP A 22 -2.049 7.785 -1.112 1.00 0.50 C ATOM 358 CG ASP A 22 -1.701 8.964 -0.235 1.00 0.60 C ATOM 359 OD1 ASP A 22 -2.485 9.930 -0.309 1.00 1.68 O ATOM 360 OD2 ASP A 22 -0.662 8.902 0.455 1.00 1.97 O ATOM 0 H ASP A 22 -3.042 5.976 -2.309 1.00 0.40 H new ATOM 0 HA ASP A 22 -2.944 6.686 0.494 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -1.179 7.137 -1.221 1.00 0.50 H new ATOM 0 HB3 ASP A 22 -2.313 8.134 -2.110 1.00 0.50 H new ATOM 365 N SER A 23 -5.090 7.938 0.738 1.00 0.59 N ATOM 366 CA SER A 23 -6.358 8.638 0.894 1.00 0.68 C ATOM 367 C SER A 23 -6.119 10.129 1.100 1.00 0.83 C ATOM 368 O SER A 23 -7.030 10.931 0.905 1.00 1.07 O ATOM 369 CB SER A 23 -7.149 8.045 2.062 1.00 0.83 C ATOM 370 OG SER A 23 -8.452 8.601 2.081 1.00 0.99 O ATOM 0 H SER A 23 -4.713 7.554 1.605 1.00 0.59 H new ATOM 0 HA SER A 23 -6.945 8.511 -0.016 1.00 0.68 H new ATOM 0 HB2 SER A 23 -7.206 6.961 1.963 1.00 0.83 H new ATOM 0 HB3 SER A 23 -6.640 8.253 3.003 1.00 0.83 H new ATOM 0 HG SER A 23 -8.959 8.220 2.828 1.00 0.99 H new ATOM 376 N GLU A 24 -4.910 10.475 1.526 1.00 0.86 N ATOM 377 CA GLU A 24 -4.476 11.789 1.914 1.00 1.06 C ATOM 378 C GLU A 24 -4.524 12.662 0.651 1.00 0.99 C ATOM 379 O GLU A 24 -5.067 13.765 0.654 1.00 1.17 O ATOM 380 CB GLU A 24 -3.047 11.605 2.456 1.00 1.17 C ATOM 381 CG GLU A 24 -3.026 10.854 3.805 1.00 1.51 C ATOM 382 CD GLU A 24 -2.808 9.334 3.668 1.00 2.88 C ATOM 383 OE1 GLU A 24 -3.559 8.684 2.898 1.00 4.16 O ATOM 384 OE2 GLU A 24 -1.899 8.832 4.367 1.00 3.56 O ATOM 0 H GLU A 24 -4.162 9.787 1.611 1.00 0.86 H new ATOM 0 HA GLU A 24 -5.089 12.269 2.677 1.00 1.06 H new ATOM 0 HB2 GLU A 24 -2.452 11.055 1.727 1.00 1.17 H new ATOM 0 HB3 GLU A 24 -2.578 12.581 2.579 1.00 1.17 H new ATOM 0 HG2 GLU A 24 -2.235 11.270 4.429 1.00 1.51 H new ATOM 0 HG3 GLU A 24 -3.968 11.031 4.323 1.00 1.51 H new ATOM 391 N THR A 25 -3.988 12.122 -0.445 1.00 0.77 N ATOM 392 CA THR A 25 -4.074 12.651 -1.799 1.00 0.70 C ATOM 393 C THR A 25 -5.325 12.118 -2.502 1.00 0.66 C ATOM 394 O THR A 25 -5.847 12.760 -3.418 1.00 0.76 O ATOM 395 CB THR A 25 -2.819 12.256 -2.596 1.00 0.66 C ATOM 396 OG1 THR A 25 -2.755 10.860 -2.750 1.00 0.61 O ATOM 397 CG2 THR A 25 -1.540 12.747 -1.913 1.00 0.85 C ATOM 0 H THR A 25 -3.453 11.255 -0.404 1.00 0.77 H new ATOM 0 HA THR A 25 -4.139 13.738 -1.746 1.00 0.70 H new ATOM 0 HB THR A 25 -2.894 12.731 -3.574 1.00 0.66 H new ATOM 0 HG1 THR A 25 -2.845 10.430 -1.874 1.00 0.61 H new ATOM 0 HG21 THR A 25 -0.674 12.449 -2.505 1.00 0.85 H new ATOM 0 HG22 THR A 25 -1.566 13.833 -1.829 1.00 0.85 H new ATOM 0 HG23 THR A 25 -1.467 12.308 -0.918 1.00 0.85 H new ATOM 405 N GLY A 26 -5.774 10.911 -2.146 1.00 0.60 N ATOM 406 CA GLY A 26 -6.869 10.232 -2.813 1.00 0.62 C ATOM 407 C GLY A 26 -6.401 9.739 -4.179 1.00 0.56 C ATOM 408 O GLY A 26 -7.001 10.108 -5.199 1.00 0.85 O ATOM 0 H GLY A 26 -5.375 10.377 -1.374 1.00 0.60 H new ATOM 0 HA2 GLY A 26 -7.213 9.392 -2.209 1.00 0.62 H new ATOM 0 HA3 GLY A 26 -7.715 10.909 -2.929 1.00 0.62 H new ATOM 412 N LYS A 27 -5.309 8.971 -4.191 1.00 0.48 N ATOM 413 CA LYS A 27 -4.579 8.509 -5.365 1.00 0.47 C ATOM 414 C LYS A 27 -4.027 7.116 -5.064 1.00 0.45 C ATOM 415 O LYS A 27 -3.820 6.792 -3.900 1.00 0.78 O ATOM 416 CB LYS A 27 -3.389 9.453 -5.642 1.00 0.68 C ATOM 417 CG LYS A 27 -3.749 10.929 -5.824 1.00 1.36 C ATOM 418 CD LYS A 27 -4.543 11.164 -7.116 1.00 2.24 C ATOM 419 CE LYS A 27 -5.274 12.512 -7.109 1.00 3.59 C ATOM 420 NZ LYS A 27 -6.286 12.577 -6.034 1.00 4.72 N ATOM 0 H LYS A 27 -4.888 8.636 -3.324 1.00 0.48 H new ATOM 0 HA LYS A 27 -5.242 8.491 -6.230 1.00 0.47 H new ATOM 0 HB2 LYS A 27 -2.681 9.368 -4.818 1.00 0.68 H new ATOM 0 HB3 LYS A 27 -2.876 9.109 -6.540 1.00 0.68 H new ATOM 0 HG2 LYS A 27 -4.335 11.269 -4.970 1.00 1.36 H new ATOM 0 HG3 LYS A 27 -2.837 11.526 -5.843 1.00 1.36 H new ATOM 0 HD2 LYS A 27 -3.866 11.124 -7.969 1.00 2.24 H new ATOM 0 HD3 LYS A 27 -5.268 10.360 -7.247 1.00 2.24 H new ATOM 0 HE2 LYS A 27 -4.551 13.318 -6.978 1.00 3.59 H new ATOM 0 HE3 LYS A 27 -5.756 12.670 -8.074 1.00 3.59 H new ATOM 0 HZ1 LYS A 27 -7.023 13.264 -6.292 1.00 4.72 H new ATOM 0 HZ2 LYS A 27 -6.716 11.639 -5.905 1.00 4.72 H new ATOM 0 HZ3 LYS A 27 -5.832 12.874 -5.147 1.00 4.72 H new ATOM 434 N CYS A 28 -3.731 6.300 -6.074 1.00 0.27 N ATOM 435 CA CYS A 28 -2.859 5.155 -5.892 1.00 0.30 C ATOM 436 C CYS A 28 -1.425 5.667 -5.927 1.00 0.40 C ATOM 437 O CYS A 28 -1.116 6.612 -6.653 1.00 0.73 O ATOM 438 CB CYS A 28 -3.109 4.118 -6.977 1.00 0.34 C ATOM 439 SG CYS A 28 -4.708 3.273 -6.838 1.00 0.34 S ATOM 0 H CYS A 28 -4.085 6.415 -7.024 1.00 0.27 H new ATOM 0 HA CYS A 28 -3.054 4.664 -4.939 1.00 0.30 H new ATOM 0 HB2 CYS A 28 -3.051 4.605 -7.950 1.00 0.34 H new ATOM 0 HB3 CYS A 28 -2.313 3.374 -6.944 1.00 0.34 H new ATOM 444 N THR A 29 -0.543 5.108 -5.103 1.00 0.28 N ATOM 445 CA THR A 29 0.789 5.662 -4.887 1.00 0.31 C ATOM 446 C THR A 29 1.718 4.526 -4.452 1.00 0.29 C ATOM 447 O THR A 29 1.264 3.645 -3.725 1.00 0.31 O ATOM 448 CB THR A 29 0.661 6.763 -3.819 1.00 0.38 C ATOM 449 OG1 THR A 29 -0.157 7.812 -4.303 1.00 0.50 O ATOM 450 CG2 THR A 29 1.986 7.388 -3.386 1.00 0.41 C ATOM 0 H THR A 29 -0.731 4.260 -4.568 1.00 0.28 H new ATOM 0 HA THR A 29 1.212 6.104 -5.789 1.00 0.31 H new ATOM 0 HB THR A 29 0.231 6.262 -2.952 1.00 0.38 H new ATOM 0 HG1 THR A 29 -0.236 8.508 -3.618 1.00 0.50 H new ATOM 0 HG21 THR A 29 1.798 8.153 -2.632 1.00 0.41 H new ATOM 0 HG22 THR A 29 2.633 6.617 -2.968 1.00 0.41 H new ATOM 0 HG23 THR A 29 2.474 7.841 -4.249 1.00 0.41 H new ATOM 458 N PRO A 30 2.983 4.495 -4.906 1.00 0.30 N ATOM 459 CA PRO A 30 3.938 3.466 -4.520 1.00 0.33 C ATOM 460 C PRO A 30 4.386 3.644 -3.064 1.00 0.39 C ATOM 461 O PRO A 30 4.364 4.755 -2.537 1.00 0.44 O ATOM 462 CB PRO A 30 5.109 3.608 -5.494 1.00 0.38 C ATOM 463 CG PRO A 30 5.075 5.090 -5.863 1.00 0.38 C ATOM 464 CD PRO A 30 3.581 5.406 -5.869 1.00 0.33 C ATOM 0 HA PRO A 30 3.501 2.469 -4.572 1.00 0.33 H new ATOM 0 HB2 PRO A 30 6.055 3.330 -5.030 1.00 0.38 H new ATOM 0 HB3 PRO A 30 4.984 2.971 -6.370 1.00 0.38 H new ATOM 0 HG2 PRO A 30 5.614 5.699 -5.138 1.00 0.38 H new ATOM 0 HG3 PRO A 30 5.531 5.275 -6.836 1.00 0.38 H new ATOM 0 HD2 PRO A 30 3.399 6.444 -5.591 1.00 0.33 H new ATOM 0 HD3 PRO A 30 3.154 5.262 -6.862 1.00 0.33 H new ATOM 472 N PHE A 31 4.821 2.562 -2.411 1.00 0.41 N ATOM 473 CA PHE A 31 5.424 2.596 -1.083 1.00 0.44 C ATOM 474 C PHE A 31 6.271 1.340 -0.884 1.00 0.42 C ATOM 475 O PHE A 31 6.090 0.352 -1.594 1.00 0.40 O ATOM 476 CB PHE A 31 4.348 2.727 0.008 1.00 0.44 C ATOM 477 CG PHE A 31 3.658 1.433 0.407 1.00 0.40 C ATOM 478 CD1 PHE A 31 2.724 0.844 -0.463 1.00 0.40 C ATOM 479 CD2 PHE A 31 3.926 0.825 1.650 1.00 0.44 C ATOM 480 CE1 PHE A 31 1.962 -0.254 -0.036 1.00 0.41 C ATOM 481 CE2 PHE A 31 3.189 -0.300 2.061 1.00 0.47 C ATOM 482 CZ PHE A 31 2.187 -0.824 1.227 1.00 0.45 C ATOM 0 H PHE A 31 4.761 1.622 -2.802 1.00 0.41 H new ATOM 0 HA PHE A 31 6.068 3.472 -1.002 1.00 0.44 H new ATOM 0 HB2 PHE A 31 4.807 3.162 0.896 1.00 0.44 H new ATOM 0 HB3 PHE A 31 3.590 3.431 -0.336 1.00 0.44 H new ATOM 0 HD1 PHE A 31 2.593 1.237 -1.460 1.00 0.40 H new ATOM 0 HD2 PHE A 31 4.700 1.224 2.289 1.00 0.44 H new ATOM 0 HE1 PHE A 31 1.199 -0.663 -0.682 1.00 0.41 H new ATOM 0 HE2 PHE A 31 3.393 -0.761 3.016 1.00 0.47 H new ATOM 0 HZ PHE A 31 1.592 -1.663 1.557 1.00 0.45 H new ATOM 492 N ILE A 32 7.194 1.369 0.080 1.00 0.45 N ATOM 493 CA ILE A 32 7.950 0.191 0.480 1.00 0.42 C ATOM 494 C ILE A 32 7.158 -0.503 1.589 1.00 0.38 C ATOM 495 O ILE A 32 6.975 0.051 2.671 1.00 0.40 O ATOM 496 CB ILE A 32 9.386 0.579 0.890 1.00 0.48 C ATOM 497 CG1 ILE A 32 10.318 0.666 -0.335 1.00 0.84 C ATOM 498 CG2 ILE A 32 10.009 -0.451 1.845 1.00 0.53 C ATOM 499 CD1 ILE A 32 9.824 1.584 -1.455 1.00 0.63 C ATOM 0 H ILE A 32 7.435 2.212 0.602 1.00 0.45 H new ATOM 0 HA ILE A 32 8.073 -0.509 -0.346 1.00 0.42 H new ATOM 0 HB ILE A 32 9.297 1.548 1.381 1.00 0.48 H new ATOM 0 HG12 ILE A 32 11.297 1.014 -0.005 1.00 0.84 H new ATOM 0 HG13 ILE A 32 10.456 -0.336 -0.741 1.00 0.84 H new ATOM 0 HG21 ILE A 32 11.020 -0.139 2.108 1.00 0.53 H new ATOM 0 HG22 ILE A 32 9.404 -0.521 2.749 1.00 0.53 H new ATOM 0 HG23 ILE A 32 10.046 -1.425 1.356 1.00 0.53 H new ATOM 0 HD11 ILE A 32 10.545 1.581 -2.273 1.00 0.63 H new ATOM 0 HD12 ILE A 32 8.860 1.228 -1.819 1.00 0.63 H new ATOM 0 HD13 ILE A 32 9.714 2.599 -1.072 1.00 0.63 H new ATOM 511 N TYR A 33 6.688 -1.712 1.302 1.00 0.39 N ATOM 512 CA TYR A 33 6.139 -2.654 2.259 1.00 0.46 C ATOM 513 C TYR A 33 7.310 -3.442 2.857 1.00 0.84 C ATOM 514 O TYR A 33 8.328 -3.643 2.189 1.00 2.27 O ATOM 515 CB TYR A 33 5.147 -3.540 1.492 1.00 0.38 C ATOM 516 CG TYR A 33 4.731 -4.865 2.097 1.00 0.63 C ATOM 517 CD1 TYR A 33 4.209 -4.931 3.402 1.00 0.93 C ATOM 518 CD2 TYR A 33 4.655 -5.995 1.259 1.00 0.80 C ATOM 519 CE1 TYR A 33 3.641 -6.132 3.867 1.00 1.18 C ATOM 520 CE2 TYR A 33 3.972 -7.144 1.683 1.00 1.12 C ATOM 521 CZ TYR A 33 3.445 -7.205 2.980 1.00 1.22 C ATOM 522 OH TYR A 33 2.840 -8.350 3.394 1.00 1.61 O ATOM 0 H TYR A 33 6.681 -2.075 0.349 1.00 0.39 H new ATOM 0 HA TYR A 33 5.607 -2.180 3.084 1.00 0.46 H new ATOM 0 HB2 TYR A 33 4.242 -2.955 1.326 1.00 0.38 H new ATOM 0 HB3 TYR A 33 5.578 -3.746 0.512 1.00 0.38 H new ATOM 0 HD1 TYR A 33 4.244 -4.064 4.044 1.00 0.93 H new ATOM 0 HD2 TYR A 33 5.124 -5.976 0.287 1.00 0.80 H new ATOM 0 HE1 TYR A 33 3.356 -6.229 4.904 1.00 1.18 H new ATOM 0 HE2 TYR A 33 3.852 -7.981 1.011 1.00 1.12 H new ATOM 0 HH TYR A 33 3.339 -8.730 4.147 1.00 1.61 H new ATOM 532 N GLY A 34 7.168 -3.876 4.112 1.00 0.79 N ATOM 533 CA GLY A 34 8.195 -4.588 4.863 1.00 0.75 C ATOM 534 C GLY A 34 7.872 -6.063 5.076 1.00 0.85 C ATOM 535 O GLY A 34 8.496 -6.724 5.904 1.00 1.38 O ATOM 0 H GLY A 34 6.310 -3.736 4.645 1.00 0.79 H new ATOM 0 HA2 GLY A 34 9.145 -4.504 4.336 1.00 0.75 H new ATOM 0 HA3 GLY A 34 8.325 -4.108 5.833 1.00 0.75 H new ATOM 539 N GLY A 35 6.888 -6.597 4.353 1.00 0.76 N ATOM 540 CA GLY A 35 6.533 -8.005 4.345 1.00 0.93 C ATOM 541 C GLY A 35 5.618 -8.324 5.519 1.00 0.98 C ATOM 542 O GLY A 35 4.548 -8.908 5.357 1.00 1.66 O ATOM 0 H GLY A 35 6.299 -6.036 3.737 1.00 0.76 H new ATOM 0 HA2 GLY A 35 6.036 -8.257 3.408 1.00 0.93 H new ATOM 0 HA3 GLY A 35 7.435 -8.615 4.401 1.00 0.93 H new ATOM 546 N CYS A 36 6.050 -7.941 6.716 1.00 0.91 N ATOM 547 CA CYS A 36 5.459 -8.426 7.957 1.00 1.13 C ATOM 548 C CYS A 36 4.435 -7.428 8.513 1.00 1.29 C ATOM 549 O CYS A 36 4.726 -6.254 8.748 1.00 2.18 O ATOM 550 CB CYS A 36 6.570 -8.825 8.938 1.00 1.67 C ATOM 551 SG CYS A 36 6.957 -7.682 10.279 1.00 2.00 S ATOM 0 H CYS A 36 6.820 -7.286 6.853 1.00 0.91 H new ATOM 0 HA CYS A 36 4.881 -9.331 7.769 1.00 1.13 H new ATOM 0 HB2 CYS A 36 6.297 -9.782 9.382 1.00 1.67 H new ATOM 0 HB3 CYS A 36 7.482 -8.988 8.363 1.00 1.67 H new ATOM 556 N GLY A 37 3.197 -7.892 8.695 1.00 1.25 N ATOM 557 CA GLY A 37 2.087 -7.105 9.208 1.00 1.55 C ATOM 558 C GLY A 37 1.471 -6.250 8.103 1.00 1.37 C ATOM 559 O GLY A 37 0.327 -6.472 7.715 1.00 2.73 O ATOM 0 H GLY A 37 2.937 -8.855 8.481 1.00 1.25 H new ATOM 0 HA2 GLY A 37 1.329 -7.767 9.627 1.00 1.55 H new ATOM 0 HA3 GLY A 37 2.434 -6.464 10.019 1.00 1.55 H new ATOM 563 N GLY A 38 2.246 -5.281 7.607 1.00 1.26 N ATOM 564 CA GLY A 38 1.803 -4.248 6.668 1.00 1.81 C ATOM 565 C GLY A 38 0.368 -3.782 6.947 1.00 1.73 C ATOM 566 O GLY A 38 0.080 -3.269 8.028 1.00 2.29 O ATOM 0 H GLY A 38 3.231 -5.192 7.857 1.00 1.26 H new ATOM 0 HA2 GLY A 38 2.478 -3.394 6.727 1.00 1.81 H new ATOM 0 HA3 GLY A 38 1.866 -4.634 5.651 1.00 1.81 H new ATOM 570 N ASN A 39 -0.522 -3.984 5.972 1.00 1.27 N ATOM 571 CA ASN A 39 -1.975 -3.916 6.056 1.00 1.08 C ATOM 572 C ASN A 39 -2.530 -4.411 4.722 1.00 1.03 C ATOM 573 O ASN A 39 -1.757 -4.788 3.847 1.00 1.17 O ATOM 574 CB ASN A 39 -2.496 -2.517 6.424 1.00 0.93 C ATOM 575 CG ASN A 39 -2.066 -1.377 5.499 1.00 0.92 C ATOM 576 OD1 ASN A 39 -1.360 -1.567 4.519 1.00 1.32 O ATOM 577 ND2 ASN A 39 -2.497 -0.161 5.835 1.00 0.72 N ATOM 0 H ASN A 39 -0.215 -4.218 5.028 1.00 1.27 H new ATOM 0 HA ASN A 39 -2.323 -4.551 6.871 1.00 1.08 H new ATOM 0 HB2 ASN A 39 -3.585 -2.550 6.445 1.00 0.93 H new ATOM 0 HB3 ASN A 39 -2.165 -2.282 7.436 1.00 0.93 H new ATOM 0 HD21 ASN A 39 -2.239 0.646 5.268 1.00 0.72 H new ATOM 0 HD22 ASN A 39 -3.085 -0.038 6.659 1.00 0.72 H new ATOM 584 N GLY A 40 -3.857 -4.439 4.568 1.00 1.00 N ATOM 585 CA GLY A 40 -4.493 -4.924 3.348 1.00 1.11 C ATOM 586 C GLY A 40 -4.257 -3.986 2.161 1.00 0.90 C ATOM 587 O GLY A 40 -4.188 -4.429 1.016 1.00 0.94 O ATOM 0 H GLY A 40 -4.514 -4.127 5.283 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -4.107 -5.915 3.108 1.00 1.11 H new ATOM 0 HA3 GLY A 40 -5.564 -5.031 3.517 1.00 1.11 H new ATOM 591 N ASN A 41 -4.154 -2.681 2.428 1.00 0.73 N ATOM 592 CA ASN A 41 -3.955 -1.656 1.410 1.00 0.64 C ATOM 593 C ASN A 41 -2.505 -1.682 0.924 1.00 0.56 C ATOM 594 O ASN A 41 -1.702 -0.812 1.254 1.00 0.55 O ATOM 595 CB ASN A 41 -4.399 -0.306 1.979 1.00 0.64 C ATOM 596 CG ASN A 41 -4.347 0.815 0.946 1.00 0.79 C ATOM 597 OD1 ASN A 41 -4.159 0.574 -0.244 1.00 1.68 O ATOM 598 ND2 ASN A 41 -4.554 2.049 1.386 1.00 0.53 N ATOM 0 H ASN A 41 -4.208 -2.305 3.375 1.00 0.73 H new ATOM 0 HA ASN A 41 -4.567 -1.846 0.528 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -5.416 -0.395 2.362 1.00 0.64 H new ATOM 0 HB3 ASN A 41 -3.762 -0.045 2.824 1.00 0.64 H new ATOM 0 HD21 ASN A 41 -4.560 2.830 0.730 1.00 0.53 H new ATOM 0 HD22 ASN A 41 -4.707 2.217 2.380 1.00 0.53 H new ATOM 605 N ASN A 42 -2.178 -2.745 0.187 1.00 0.57 N ATOM 606 CA ASN A 42 -0.826 -3.241 -0.002 1.00 0.57 C ATOM 607 C ASN A 42 -0.804 -4.084 -1.278 1.00 0.60 C ATOM 608 O ASN A 42 -0.849 -5.313 -1.233 1.00 0.89 O ATOM 609 CB ASN A 42 -0.453 -4.043 1.250 1.00 0.60 C ATOM 610 CG ASN A 42 0.990 -4.523 1.272 1.00 0.75 C ATOM 611 OD1 ASN A 42 1.355 -5.443 0.388 1.00 1.77 O flip ATOM 612 ND2 ASN A 42 1.778 -4.071 2.091 1.00 1.30 N flip ATOM 0 H ASN A 42 -2.876 -3.299 -0.309 1.00 0.57 H new ATOM 0 HA ASN A 42 -0.093 -2.443 -0.125 1.00 0.57 H new ATOM 0 HB2 ASN A 42 -0.633 -3.426 2.131 1.00 0.60 H new ATOM 0 HB3 ASN A 42 -1.113 -4.907 1.325 1.00 0.60 H new ATOM 0 HD21 ASN A 42 1.470 -3.364 2.759 1.00 1.30 H new ATOM 0 HD22 ASN A 42 2.743 -4.401 2.106 1.00 1.30 H new ATOM 619 N PHE A 43 -0.763 -3.407 -2.421 1.00 0.40 N ATOM 620 CA PHE A 43 -1.095 -3.947 -3.731 1.00 0.38 C ATOM 621 C PHE A 43 0.128 -3.948 -4.629 1.00 0.37 C ATOM 622 O PHE A 43 0.937 -3.038 -4.543 1.00 0.42 O ATOM 623 CB PHE A 43 -2.163 -3.039 -4.334 1.00 0.37 C ATOM 624 CG PHE A 43 -3.476 -3.057 -3.578 1.00 0.49 C ATOM 625 CD1 PHE A 43 -4.142 -4.278 -3.364 1.00 0.68 C ATOM 626 CD2 PHE A 43 -3.990 -1.874 -3.013 1.00 0.48 C ATOM 627 CE1 PHE A 43 -5.361 -4.305 -2.672 1.00 0.78 C ATOM 628 CE2 PHE A 43 -5.229 -1.895 -2.351 1.00 0.61 C ATOM 629 CZ PHE A 43 -5.922 -3.109 -2.201 1.00 0.74 C ATOM 0 H PHE A 43 -0.486 -2.426 -2.459 1.00 0.40 H new ATOM 0 HA PHE A 43 -1.450 -4.973 -3.639 1.00 0.38 H new ATOM 0 HB2 PHE A 43 -1.785 -2.017 -4.363 1.00 0.37 H new ATOM 0 HB3 PHE A 43 -2.344 -3.341 -5.366 1.00 0.37 H new ATOM 0 HD1 PHE A 43 -3.713 -5.197 -3.734 1.00 0.68 H new ATOM 0 HD2 PHE A 43 -3.433 -0.952 -3.088 1.00 0.48 H new ATOM 0 HE1 PHE A 43 -5.867 -5.244 -2.502 1.00 0.78 H new ATOM 0 HE2 PHE A 43 -5.648 -0.980 -1.958 1.00 0.61 H new ATOM 0 HZ PHE A 43 -6.890 -3.121 -1.721 1.00 0.74 H new ATOM 639 N GLU A 44 0.297 -4.941 -5.497 1.00 0.42 N ATOM 640 CA GLU A 44 1.501 -5.013 -6.310 1.00 0.41 C ATOM 641 C GLU A 44 1.609 -3.816 -7.267 1.00 0.39 C ATOM 642 O GLU A 44 2.708 -3.308 -7.482 1.00 0.47 O ATOM 643 CB GLU A 44 1.573 -6.371 -7.019 1.00 0.52 C ATOM 644 CG GLU A 44 2.876 -6.553 -7.815 1.00 0.95 C ATOM 645 CD GLU A 44 3.393 -7.981 -7.729 1.00 1.72 C ATOM 646 OE1 GLU A 44 2.879 -8.827 -8.484 1.00 3.17 O ATOM 647 OE2 GLU A 44 4.263 -8.196 -6.851 1.00 2.17 O ATOM 0 H GLU A 44 -0.373 -5.694 -5.653 1.00 0.42 H new ATOM 0 HA GLU A 44 2.375 -4.943 -5.663 1.00 0.41 H new ATOM 0 HB2 GLU A 44 1.489 -7.168 -6.280 1.00 0.52 H new ATOM 0 HB3 GLU A 44 0.722 -6.470 -7.693 1.00 0.52 H new ATOM 0 HG2 GLU A 44 2.704 -6.290 -8.859 1.00 0.95 H new ATOM 0 HG3 GLU A 44 3.634 -5.868 -7.434 1.00 0.95 H new ATOM 654 N THR A 45 0.486 -3.368 -7.839 1.00 0.37 N ATOM 655 CA THR A 45 0.474 -2.388 -8.920 1.00 0.38 C ATOM 656 C THR A 45 -0.555 -1.280 -8.678 1.00 0.33 C ATOM 657 O THR A 45 -1.529 -1.473 -7.941 1.00 0.29 O ATOM 658 CB THR A 45 0.141 -3.119 -10.230 1.00 0.45 C ATOM 659 OG1 THR A 45 -1.140 -3.714 -10.125 1.00 0.46 O ATOM 660 CG2 THR A 45 1.167 -4.207 -10.557 1.00 0.49 C ATOM 0 H THR A 45 -0.444 -3.680 -7.560 1.00 0.37 H new ATOM 0 HA THR A 45 1.455 -1.916 -8.972 1.00 0.38 H new ATOM 0 HB THR A 45 0.161 -2.382 -11.033 1.00 0.45 H new ATOM 0 HG1 THR A 45 -1.227 -4.423 -10.796 1.00 0.46 H new ATOM 0 HG21 THR A 45 0.892 -4.697 -11.491 1.00 0.49 H new ATOM 0 HG22 THR A 45 2.154 -3.757 -10.661 1.00 0.49 H new ATOM 0 HG23 THR A 45 1.186 -4.943 -9.753 1.00 0.49 H new ATOM 668 N LEU A 46 -0.394 -0.151 -9.388 1.00 0.37 N ATOM 669 CA LEU A 46 -1.502 0.773 -9.598 1.00 0.38 C ATOM 670 C LEU A 46 -2.689 -0.007 -10.141 1.00 0.38 C ATOM 671 O LEU A 46 -3.778 0.167 -9.625 1.00 0.39 O ATOM 672 CB LEU A 46 -1.147 1.972 -10.510 1.00 0.51 C ATOM 673 CG LEU A 46 -2.371 2.579 -11.239 1.00 0.64 C ATOM 674 CD1 LEU A 46 -3.191 3.366 -10.232 1.00 0.57 C ATOM 675 CD2 LEU A 46 -2.032 3.551 -12.367 1.00 1.06 C ATOM 0 H LEU A 46 0.485 0.135 -9.819 1.00 0.37 H new ATOM 0 HA LEU A 46 -1.752 1.219 -8.636 1.00 0.38 H new ATOM 0 HB2 LEU A 46 -0.671 2.747 -9.909 1.00 0.51 H new ATOM 0 HB3 LEU A 46 -0.416 1.650 -11.251 1.00 0.51 H new ATOM 0 HG LEU A 46 -2.896 1.731 -11.678 1.00 0.64 H new ATOM 0 HD11 LEU A 46 -4.058 3.801 -10.729 1.00 0.57 H new ATOM 0 HD12 LEU A 46 -3.525 2.701 -9.436 1.00 0.57 H new ATOM 0 HD13 LEU A 46 -2.579 4.162 -9.807 1.00 0.57 H new ATOM 0 HD21 LEU A 46 -2.953 3.923 -12.816 1.00 1.06 H new ATOM 0 HD22 LEU A 46 -1.460 4.388 -11.966 1.00 1.06 H new ATOM 0 HD23 LEU A 46 -1.440 3.037 -13.125 1.00 1.06 H new ATOM 687 N HIS A 47 -2.509 -0.828 -11.181 1.00 0.42 N ATOM 688 CA HIS A 47 -3.615 -1.563 -11.791 1.00 0.45 C ATOM 689 C HIS A 47 -4.489 -2.209 -10.708 1.00 0.44 C ATOM 690 O HIS A 47 -5.710 -2.059 -10.721 1.00 0.46 O ATOM 691 CB HIS A 47 -3.079 -2.601 -12.790 1.00 0.53 C ATOM 692 CG HIS A 47 -4.047 -3.726 -13.069 1.00 0.73 C ATOM 693 ND1 HIS A 47 -5.152 -3.658 -13.887 1.00 2.36 N ATOM 694 CD2 HIS A 47 -4.077 -4.939 -12.433 1.00 1.19 C ATOM 695 CE1 HIS A 47 -5.822 -4.817 -13.755 1.00 2.07 C ATOM 696 NE2 HIS A 47 -5.207 -5.627 -12.880 1.00 0.78 N ATOM 0 H HIS A 47 -1.603 -0.999 -11.617 1.00 0.42 H new ATOM 0 HA HIS A 47 -4.244 -0.867 -12.346 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -2.837 -2.100 -13.727 1.00 0.53 H new ATOM 0 HB3 HIS A 47 -2.150 -3.020 -12.403 1.00 0.53 H new ATOM 0 HD2 HIS A 47 -3.356 -5.299 -11.714 1.00 1.19 H new ATOM 0 HE1 HIS A 47 -6.732 -5.062 -14.282 1.00 2.07 H new ATOM 0 HE2 HIS A 47 -5.506 -6.560 -12.597 1.00 0.78 H new ATOM 704 N GLN A 48 -3.857 -2.898 -9.757 1.00 0.41 N ATOM 705 CA GLN A 48 -4.573 -3.560 -8.683 1.00 0.42 C ATOM 706 C GLN A 48 -5.255 -2.525 -7.778 1.00 0.40 C ATOM 707 O GLN A 48 -6.463 -2.594 -7.562 1.00 0.45 O ATOM 708 CB GLN A 48 -3.602 -4.476 -7.931 1.00 0.47 C ATOM 709 CG GLN A 48 -4.325 -5.333 -6.885 1.00 1.26 C ATOM 710 CD GLN A 48 -3.370 -6.287 -6.172 1.00 1.48 C ATOM 711 OE1 GLN A 48 -2.170 -6.040 -6.089 1.00 1.84 O ATOM 712 NE2 GLN A 48 -3.892 -7.379 -5.623 1.00 2.16 N ATOM 0 H GLN A 48 -2.844 -3.008 -9.715 1.00 0.41 H new ATOM 0 HA GLN A 48 -5.373 -4.184 -9.081 1.00 0.42 H new ATOM 0 HB2 GLN A 48 -3.090 -5.125 -8.642 1.00 0.47 H new ATOM 0 HB3 GLN A 48 -2.838 -3.872 -7.442 1.00 0.47 H new ATOM 0 HG2 GLN A 48 -4.804 -4.684 -6.152 1.00 1.26 H new ATOM 0 HG3 GLN A 48 -5.116 -5.906 -7.369 1.00 1.26 H new ATOM 0 HE21 GLN A 48 -4.892 -7.563 -5.705 1.00 2.16 H new ATOM 0 HE22 GLN A 48 -3.293 -8.033 -5.120 1.00 2.16 H new ATOM 721 N CYS A 49 -4.495 -1.559 -7.254 1.00 0.37 N ATOM 722 CA CYS A 49 -5.033 -0.526 -6.364 1.00 0.38 C ATOM 723 C CYS A 49 -6.236 0.201 -6.990 1.00 0.39 C ATOM 724 O CYS A 49 -7.289 0.345 -6.374 1.00 0.50 O ATOM 725 CB CYS A 49 -3.903 0.441 -5.993 1.00 0.35 C ATOM 726 SG CYS A 49 -4.439 1.986 -5.229 1.00 0.39 S ATOM 0 H CYS A 49 -3.495 -1.471 -7.433 1.00 0.37 H new ATOM 0 HA CYS A 49 -5.412 -0.995 -5.456 1.00 0.38 H new ATOM 0 HB2 CYS A 49 -3.221 -0.066 -5.311 1.00 0.35 H new ATOM 0 HB3 CYS A 49 -3.336 0.676 -6.894 1.00 0.35 H new ATOM 731 N ARG A 50 -6.074 0.626 -8.241 1.00 0.36 N ATOM 732 CA ARG A 50 -7.067 1.230 -9.114 1.00 0.45 C ATOM 733 C ARG A 50 -8.291 0.327 -9.217 1.00 0.50 C ATOM 734 O ARG A 50 -9.402 0.779 -8.962 1.00 0.75 O ATOM 735 CB ARG A 50 -6.417 1.450 -10.491 1.00 0.48 C ATOM 736 CG ARG A 50 -7.303 2.042 -11.597 1.00 0.80 C ATOM 737 CD ARG A 50 -7.797 3.466 -11.315 1.00 1.48 C ATOM 738 NE ARG A 50 -6.718 4.437 -11.100 1.00 1.45 N ATOM 739 CZ ARG A 50 -5.963 5.021 -12.046 1.00 1.92 C ATOM 740 NH1 ARG A 50 -6.175 4.759 -13.340 1.00 2.50 N ATOM 741 NH2 ARG A 50 -4.992 5.858 -11.676 1.00 2.59 N ATOM 0 H ARG A 50 -5.169 0.548 -8.704 1.00 0.36 H new ATOM 0 HA ARG A 50 -7.402 2.187 -8.713 1.00 0.45 H new ATOM 0 HB2 ARG A 50 -5.558 2.107 -10.358 1.00 0.48 H new ATOM 0 HB3 ARG A 50 -6.034 0.491 -10.841 1.00 0.48 H new ATOM 0 HG2 ARG A 50 -6.744 2.042 -12.533 1.00 0.80 H new ATOM 0 HG3 ARG A 50 -8.166 1.392 -11.742 1.00 0.80 H new ATOM 0 HD2 ARG A 50 -8.411 3.799 -12.151 1.00 1.48 H new ATOM 0 HD3 ARG A 50 -8.439 3.450 -10.434 1.00 1.48 H new ATOM 0 HE ARG A 50 -6.521 4.695 -10.133 1.00 1.45 H new ATOM 0 HH11 ARG A 50 -6.914 4.112 -13.615 1.00 2.50 H new ATOM 0 HH12 ARG A 50 -5.598 5.206 -14.052 1.00 2.50 H new ATOM 0 HH21 ARG A 50 -4.831 6.047 -10.687 1.00 2.59 H new ATOM 0 HH22 ARG A 50 -4.411 6.309 -12.382 1.00 2.59 H new ATOM 755 N ALA A 51 -8.090 -0.936 -9.608 1.00 0.40 N ATOM 756 CA ALA A 51 -9.175 -1.895 -9.755 1.00 0.48 C ATOM 757 C ALA A 51 -9.967 -2.029 -8.453 1.00 0.57 C ATOM 758 O ALA A 51 -11.194 -2.070 -8.480 1.00 0.68 O ATOM 759 CB ALA A 51 -8.625 -3.249 -10.213 1.00 0.53 C ATOM 0 H ALA A 51 -7.170 -1.316 -9.830 1.00 0.40 H new ATOM 0 HA ALA A 51 -9.861 -1.529 -10.519 1.00 0.48 H new ATOM 0 HB1 ALA A 51 -9.446 -3.958 -10.319 1.00 0.53 H new ATOM 0 HB2 ALA A 51 -8.121 -3.131 -11.172 1.00 0.53 H new ATOM 0 HB3 ALA A 51 -7.916 -3.623 -9.474 1.00 0.53 H new ATOM 765 N ILE A 52 -9.269 -2.104 -7.316 1.00 0.56 N ATOM 766 CA ILE A 52 -9.921 -2.205 -6.018 1.00 0.74 C ATOM 767 C ILE A 52 -10.657 -0.905 -5.666 1.00 0.86 C ATOM 768 O ILE A 52 -11.785 -0.973 -5.180 1.00 0.98 O ATOM 769 CB ILE A 52 -8.913 -2.638 -4.935 1.00 0.79 C ATOM 770 CG1 ILE A 52 -8.328 -4.040 -5.203 1.00 0.85 C ATOM 771 CG2 ILE A 52 -9.553 -2.594 -3.539 1.00 0.96 C ATOM 772 CD1 ILE A 52 -9.317 -5.201 -5.041 1.00 1.88 C ATOM 0 H ILE A 52 -8.250 -2.096 -7.274 1.00 0.56 H new ATOM 0 HA ILE A 52 -10.683 -2.983 -6.068 1.00 0.74 H new ATOM 0 HB ILE A 52 -8.090 -1.924 -4.974 1.00 0.79 H new ATOM 0 HG12 ILE A 52 -7.929 -4.062 -6.217 1.00 0.85 H new ATOM 0 HG13 ILE A 52 -7.489 -4.201 -4.527 1.00 0.85 H new ATOM 0 HG21 ILE A 52 -8.821 -2.904 -2.793 1.00 0.96 H new ATOM 0 HG22 ILE A 52 -9.884 -1.578 -3.322 1.00 0.96 H new ATOM 0 HG23 ILE A 52 -10.409 -3.268 -3.510 1.00 0.96 H new ATOM 0 HD11 ILE A 52 -8.810 -6.143 -5.251 1.00 1.88 H new ATOM 0 HD12 ILE A 52 -9.699 -5.214 -4.020 1.00 1.88 H new ATOM 0 HD13 ILE A 52 -10.146 -5.072 -5.737 1.00 1.88 H new ATOM 784 N CYS A 53 -10.035 0.265 -5.868 1.00 0.93 N ATOM 785 CA CYS A 53 -10.613 1.548 -5.480 1.00 1.21 C ATOM 786 C CYS A 53 -10.590 2.534 -6.647 1.00 1.67 C ATOM 787 O CYS A 53 -11.538 2.558 -7.430 1.00 2.51 O ATOM 788 CB CYS A 53 -9.945 2.066 -4.193 1.00 0.97 C ATOM 789 SG CYS A 53 -10.619 1.275 -2.707 1.00 1.80 S ATOM 0 H CYS A 53 -9.117 0.343 -6.306 1.00 0.93 H new ATOM 0 HA CYS A 53 -11.668 1.420 -5.238 1.00 1.21 H new ATOM 0 HB2 CYS A 53 -8.871 1.884 -4.244 1.00 0.97 H new ATOM 0 HB3 CYS A 53 -10.083 3.145 -4.123 1.00 0.97 H new ATOM 794 N ARG A 54 -9.595 3.426 -6.719 1.00 2.05 N ATOM 795 CA ARG A 54 -9.692 4.604 -7.579 1.00 2.64 C ATOM 796 C ARG A 54 -8.342 5.324 -7.706 1.00 4.63 C ATOM 797 O ARG A 54 -7.535 5.259 -6.785 1.00 5.72 O ATOM 798 CB ARG A 54 -10.819 5.501 -7.020 1.00 2.34 C ATOM 799 CG ARG A 54 -10.888 6.935 -7.562 1.00 3.10 C ATOM 800 CD ARG A 54 -10.083 7.887 -6.671 1.00 3.20 C ATOM 801 NE ARG A 54 -10.802 8.120 -5.406 1.00 4.04 N ATOM 802 CZ ARG A 54 -10.661 9.171 -4.582 1.00 4.96 C ATOM 803 NH1 ARG A 54 -9.654 10.036 -4.738 1.00 5.22 N ATOM 804 NH2 ARG A 54 -11.536 9.350 -3.586 1.00 6.16 N ATOM 0 H ARG A 54 -8.722 3.353 -6.196 1.00 2.05 H new ATOM 0 HA ARG A 54 -9.946 4.317 -8.599 1.00 2.64 H new ATOM 0 HB2 ARG A 54 -11.773 5.014 -7.221 1.00 2.34 H new ATOM 0 HB3 ARG A 54 -10.709 5.551 -5.937 1.00 2.34 H new ATOM 0 HG2 ARG A 54 -10.499 6.964 -8.580 1.00 3.10 H new ATOM 0 HG3 ARG A 54 -11.927 7.263 -7.609 1.00 3.10 H new ATOM 0 HD2 ARG A 54 -9.099 7.464 -6.467 1.00 3.20 H new ATOM 0 HD3 ARG A 54 -9.922 8.833 -7.187 1.00 3.20 H new ATOM 0 HE ARG A 54 -11.478 7.408 -5.127 1.00 4.04 H new ATOM 0 HH11 ARG A 54 -8.979 9.903 -5.491 1.00 5.22 H new ATOM 0 HH12 ARG A 54 -9.560 10.829 -4.104 1.00 5.22 H new ATOM 0 HH21 ARG A 54 -12.303 8.691 -3.457 1.00 6.16 H new ATOM 0 HH22 ARG A 54 -11.436 10.146 -2.956 1.00 6.16 H new ATOM 818 N ALA A 55 -8.162 6.065 -8.810 1.00 5.61 N ATOM 819 CA ALA A 55 -7.083 7.018 -9.082 1.00 7.43 C ATOM 820 C ALA A 55 -5.706 6.521 -8.649 1.00 7.85 C ATOM 821 O ALA A 55 -5.355 5.446 -9.124 1.00 7.45 O ATOM 822 CB ALA A 55 -7.401 8.410 -8.530 1.00 9.46 C ATOM 823 OXT ALA A 55 -4.863 7.364 -8.364 1.00 8.84 O ATOM 0 H ALA A 55 -8.816 6.007 -9.591 1.00 5.61 H new ATOM 0 HA ALA A 55 -7.028 7.105 -10.167 1.00 7.43 H new ATOM 0 HB1 ALA A 55 -6.576 9.087 -8.753 1.00 9.46 H new ATOM 0 HB2 ALA A 55 -8.313 8.785 -8.993 1.00 9.46 H new ATOM 0 HB3 ALA A 55 -7.540 8.350 -7.451 1.00 9.46 H new TER 829 ALA A 55