USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 669 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 22 THR OG1 : rot -75:sc= -1.25! USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= 0.297 USER MOD Single : A 1 ILE N :NH3+ 163:sc=-0.00843 (180deg=-0.35) USER MOD Single : A 6 THR OG1 : rot 149:sc= 0.617 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= -1.55 (180deg=-2.46!) USER MOD Single : A 16 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.8!) USER MOD Single : A 18 HIS : no HD1:sc= -0.0522 X(o=-0.052,f=-0.46) USER MOD Single : A 21 TYR OH : rot -150:sc= -2.39 USER MOD Single : A 23 LYS NZ :NH3+ 138:sc= -0.405 (180deg=-0.754) USER MOD Single : A 31 SER OG : rot 47:sc= 0.396 USER MOD Single : A 35 LYS NZ :NH3+ -139:sc= -0.109 (180deg=-3.97!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.908 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.506! USER MOD Single : A 49 LYS NZ :NH3+ 142:sc= 0.216 (180deg=-0.695) USER MOD Single : A 50 THR OG1 : rot 28:sc= 0.0574 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.992 K(o=-0.99,f=-0.0026!) USER MOD Single : A 63 ASN : amide:sc= -5.92! C(o=-5.9!,f=-9.3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.372 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 181 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 186 HIS : no HE2:sc= -0.78 K(o=-0.78,f=-5.2!) USER MOD Single : B 189 TYR OH : rot -61:sc= -0.917 USER MOD Single : B 190 TYR OH : rot 180:sc= 0 USER MOD Single : B 191 THR OG1 : rot 95:sc= 0.244 USER MOD Single : B 196 THR OG1 : rot -159:sc= -5.15! USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 3.327 10.855 8.202 1.00 0.00 N ATOM 2 CA ILE A 1 4.184 11.124 7.016 1.00 0.00 C ATOM 3 C ILE A 1 3.681 10.371 5.787 1.00 0.00 C ATOM 4 O ILE A 1 3.681 9.140 5.756 1.00 0.00 O ATOM 5 CB ILE A 1 5.653 10.730 7.283 1.00 0.00 C ATOM 6 CG1 ILE A 1 6.540 11.157 6.110 1.00 0.00 C ATOM 7 CG2 ILE A 1 5.774 9.232 7.530 1.00 0.00 C ATOM 8 CD1 ILE A 1 8.001 10.813 6.302 1.00 0.00 C ATOM 0 H1 ILE A 1 3.834 11.131 9.067 1.00 0.00 H new ATOM 0 H2 ILE A 1 2.447 11.405 8.126 1.00 0.00 H new ATOM 0 H3 ILE A 1 3.099 9.841 8.243 1.00 0.00 H new ATOM 0 HA ILE A 1 4.131 12.196 6.826 1.00 0.00 H new ATOM 0 HB ILE A 1 5.991 11.249 8.180 1.00 0.00 H new ATOM 0 HG12 ILE A 1 6.179 10.679 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 1 6.444 12.233 5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 1 6.817 8.977 7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 1 5.173 8.956 8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 1 5.418 8.689 6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 1 8.570 11.144 5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 1 8.378 11.312 7.195 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.109 9.734 6.417 1.00 0.00 H new ATOM 22 N ARG A 2 3.252 11.119 4.777 1.00 0.00 N ATOM 23 CA ARG A 2 2.747 10.523 3.546 1.00 0.00 C ATOM 24 C ARG A 2 3.868 9.825 2.783 1.00 0.00 C ATOM 25 O ARG A 2 5.017 10.267 2.806 1.00 0.00 O ATOM 26 CB ARG A 2 2.104 11.592 2.660 1.00 0.00 C ATOM 27 CG ARG A 2 1.222 12.569 3.424 1.00 0.00 C ATOM 28 CD ARG A 2 -0.244 12.421 3.045 1.00 0.00 C ATOM 29 NE ARG A 2 -1.019 11.773 4.100 1.00 0.00 N ATOM 30 CZ ARG A 2 -1.211 12.299 5.308 1.00 0.00 C ATOM 31 NH1 ARG A 2 -0.688 13.479 5.618 1.00 0.00 N ATOM 32 NH2 ARG A 2 -1.930 11.643 6.209 1.00 0.00 N ATOM 0 H ARG A 2 3.244 12.139 4.786 1.00 0.00 H new ATOM 0 HA ARG A 2 1.993 9.782 3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.890 12.148 2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.507 11.103 1.890 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.339 12.404 4.495 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.549 13.589 3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.666 13.404 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.324 11.839 2.127 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.437 10.865 3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.135 13.989 4.929 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.839 13.876 6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.335 10.736 5.976 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.078 12.045 7.135 1.00 0.00 H new ATOM 46 N CYS A 3 3.528 8.731 2.109 1.00 0.00 N ATOM 47 CA CYS A 3 4.510 7.975 1.342 1.00 0.00 C ATOM 48 C CYS A 3 3.833 7.113 0.281 1.00 0.00 C ATOM 49 O CYS A 3 3.250 6.074 0.590 1.00 0.00 O ATOM 50 CB CYS A 3 5.350 7.095 2.273 1.00 0.00 C ATOM 51 SG CYS A 3 7.136 7.457 2.230 1.00 0.00 S ATOM 0 H CYS A 3 2.583 8.349 2.079 1.00 0.00 H new ATOM 0 HA CYS A 3 5.163 8.688 0.839 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.990 7.218 3.294 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.196 6.050 2.004 1.00 0.00 H new ATOM 56 N PHE A 4 3.921 7.549 -0.972 1.00 0.00 N ATOM 57 CA PHE A 4 3.325 6.814 -2.083 1.00 0.00 C ATOM 58 C PHE A 4 1.805 6.746 -1.951 1.00 0.00 C ATOM 59 O PHE A 4 1.192 5.720 -2.243 1.00 0.00 O ATOM 60 CB PHE A 4 3.909 5.402 -2.150 1.00 0.00 C ATOM 61 CG PHE A 4 4.135 4.901 -3.549 1.00 0.00 C ATOM 62 CD1 PHE A 4 3.061 4.617 -4.376 1.00 0.00 C ATOM 63 CD2 PHE A 4 5.420 4.705 -4.032 1.00 0.00 C ATOM 64 CE1 PHE A 4 3.261 4.148 -5.660 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.626 4.237 -5.317 1.00 0.00 C ATOM 66 CZ PHE A 4 4.545 3.958 -6.131 1.00 0.00 C ATOM 0 H PHE A 4 4.399 8.408 -1.244 1.00 0.00 H new ATOM 0 HA PHE A 4 3.560 7.346 -3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.857 5.386 -1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.237 4.717 -1.634 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.055 4.764 -4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.268 4.920 -3.399 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.414 3.930 -6.294 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.631 4.090 -5.684 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.704 3.592 -7.134 1.00 0.00 H new ATOM 76 N ILE A 5 1.203 7.849 -1.516 1.00 0.00 N ATOM 77 CA ILE A 5 -0.248 7.922 -1.353 1.00 0.00 C ATOM 78 C ILE A 5 -0.802 6.691 -0.638 1.00 0.00 C ATOM 79 O ILE A 5 -1.353 5.790 -1.271 1.00 0.00 O ATOM 80 CB ILE A 5 -0.961 8.065 -2.714 1.00 0.00 C ATOM 81 CG1 ILE A 5 -0.217 9.056 -3.613 1.00 0.00 C ATOM 82 CG2 ILE A 5 -2.404 8.503 -2.511 1.00 0.00 C ATOM 83 CD1 ILE A 5 0.535 8.392 -4.746 1.00 0.00 C ATOM 0 H ILE A 5 1.697 8.707 -1.269 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.442 8.805 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.961 7.093 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.932 9.766 -4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.485 9.628 -3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.895 8.600 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.929 7.760 -1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.424 9.464 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.039 9.152 -5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.274 7.703 -4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.165 7.842 -5.375 1.00 0.00 H new ATOM 95 N THR A 6 -0.660 6.662 0.684 1.00 0.00 N ATOM 96 CA THR A 6 -1.155 5.545 1.484 1.00 0.00 C ATOM 97 C THR A 6 -0.450 4.241 1.108 1.00 0.00 C ATOM 98 O THR A 6 -0.208 3.973 -0.068 1.00 0.00 O ATOM 99 CB THR A 6 -2.667 5.394 1.299 1.00 0.00 C ATOM 100 OG1 THR A 6 -3.341 6.567 1.716 1.00 0.00 O ATOM 101 CG2 THR A 6 -3.257 4.229 2.065 1.00 0.00 C ATOM 0 H THR A 6 -0.206 7.399 1.224 1.00 0.00 H new ATOM 0 HA THR A 6 -0.940 5.758 2.531 1.00 0.00 H new ATOM 0 HB THR A 6 -2.808 5.212 0.234 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.157 6.682 1.185 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.331 4.183 1.887 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.794 3.301 1.730 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.071 4.363 3.131 1.00 0.00 H new ATOM 109 N PRO A 7 -0.109 3.409 2.110 1.00 0.00 N ATOM 110 CA PRO A 7 0.571 2.130 1.876 1.00 0.00 C ATOM 111 C PRO A 7 -0.328 1.106 1.174 1.00 0.00 C ATOM 112 O PRO A 7 -0.336 1.022 -0.054 1.00 0.00 O ATOM 113 CB PRO A 7 0.949 1.662 3.285 1.00 0.00 C ATOM 114 CG PRO A 7 -0.030 2.332 4.187 1.00 0.00 C ATOM 115 CD PRO A 7 -0.354 3.652 3.546 1.00 0.00 C ATOM 0 HA PRO A 7 1.429 2.239 1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.887 0.577 3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.972 1.944 3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.928 1.726 4.306 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.392 2.475 5.182 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.387 3.946 3.733 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.279 4.451 3.931 1.00 0.00 H new ATOM 123 N ASP A 8 -1.082 0.328 1.952 1.00 0.00 N ATOM 124 CA ASP A 8 -1.973 -0.682 1.391 1.00 0.00 C ATOM 125 C ASP A 8 -3.284 -0.733 2.169 1.00 0.00 C ATOM 126 O ASP A 8 -3.423 -1.505 3.116 1.00 0.00 O ATOM 127 CB ASP A 8 -1.299 -2.054 1.411 1.00 0.00 C ATOM 128 CG ASP A 8 -0.206 -2.176 0.367 1.00 0.00 C ATOM 129 OD1 ASP A 8 -0.307 -1.502 -0.679 1.00 0.00 O ATOM 130 OD2 ASP A 8 0.751 -2.946 0.596 1.00 0.00 O ATOM 0 H ASP A 8 -1.092 0.380 2.971 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.192 -0.410 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.876 -2.233 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.049 -2.827 1.240 1.00 0.00 H new ATOM 135 N ILE A 9 -4.234 0.104 1.764 1.00 0.00 N ATOM 136 CA ILE A 9 -5.536 0.180 2.421 1.00 0.00 C ATOM 137 C ILE A 9 -6.398 1.240 1.722 1.00 0.00 C ATOM 138 O ILE A 9 -7.320 0.912 0.976 1.00 0.00 O ATOM 139 CB ILE A 9 -5.349 0.499 3.935 1.00 0.00 C ATOM 140 CG1 ILE A 9 -5.409 -0.792 4.751 1.00 0.00 C ATOM 141 CG2 ILE A 9 -6.375 1.498 4.456 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.221 -0.985 5.670 1.00 0.00 C ATOM 0 H ILE A 9 -4.126 0.744 0.978 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.048 -0.779 2.346 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.369 0.963 4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.322 -0.793 5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.472 -1.640 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.197 1.683 5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.285 2.434 3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.378 1.093 4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.332 -1.921 6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.305 -1.016 5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.169 -0.156 6.376 1.00 0.00 H new ATOM 154 N THR A 10 -6.070 2.508 1.947 1.00 0.00 N ATOM 155 CA THR A 10 -6.787 3.618 1.313 1.00 0.00 C ATOM 156 C THR A 10 -6.256 4.970 1.786 1.00 0.00 C ATOM 157 O THR A 10 -5.552 5.656 1.044 1.00 0.00 O ATOM 158 CB THR A 10 -8.303 3.526 1.547 1.00 0.00 C ATOM 159 OG1 THR A 10 -8.903 4.808 1.481 1.00 0.00 O ATOM 160 CG2 THR A 10 -8.685 2.917 2.873 1.00 0.00 C ATOM 0 H THR A 10 -5.311 2.797 2.564 1.00 0.00 H new ATOM 0 HA THR A 10 -6.608 3.537 0.241 1.00 0.00 H new ATOM 0 HB THR A 10 -8.664 2.872 0.754 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.868 4.726 1.631 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.771 2.888 2.961 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.289 1.903 2.936 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.272 3.519 3.682 1.00 0.00 H new ATOM 168 N SER A 11 -6.598 5.360 3.010 1.00 0.00 N ATOM 169 CA SER A 11 -6.150 6.640 3.547 1.00 0.00 C ATOM 170 C SER A 11 -5.721 6.521 5.007 1.00 0.00 C ATOM 171 O SER A 11 -5.834 7.479 5.772 1.00 0.00 O ATOM 172 CB SER A 11 -7.259 7.684 3.414 1.00 0.00 C ATOM 173 OG SER A 11 -6.731 8.946 3.044 1.00 0.00 O ATOM 0 H SER A 11 -7.180 4.813 3.645 1.00 0.00 H new ATOM 0 HA SER A 11 -5.282 6.955 2.968 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.983 7.357 2.668 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.794 7.773 4.360 1.00 0.00 H new ATOM 0 HG SER A 11 -7.461 9.595 2.964 1.00 0.00 H new ATOM 179 N LYS A 12 -5.221 5.350 5.390 1.00 0.00 N ATOM 180 CA LYS A 12 -4.771 5.133 6.761 1.00 0.00 C ATOM 181 C LYS A 12 -3.388 5.746 6.979 1.00 0.00 C ATOM 182 O LYS A 12 -3.032 6.121 8.095 1.00 0.00 O ATOM 183 CB LYS A 12 -4.760 3.636 7.097 1.00 0.00 C ATOM 184 CG LYS A 12 -3.624 2.855 6.451 1.00 0.00 C ATOM 185 CD LYS A 12 -3.057 1.811 7.402 1.00 0.00 C ATOM 186 CE LYS A 12 -1.538 1.789 7.369 1.00 0.00 C ATOM 187 NZ LYS A 12 -1.017 0.672 6.533 1.00 0.00 N ATOM 0 H LYS A 12 -5.118 4.542 4.776 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.472 5.628 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.696 3.519 8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.709 3.199 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.985 2.367 5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.833 3.542 6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.396 2.020 8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.441 0.827 7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.170 2.737 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.154 1.692 8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.036 0.875 6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.047 -0.213 7.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.605 0.573 5.681 1.00 0.00 H new ATOM 201 N ASP A 13 -2.619 5.853 5.897 1.00 0.00 N ATOM 202 CA ASP A 13 -1.281 6.431 5.957 1.00 0.00 C ATOM 203 C ASP A 13 -0.347 5.592 6.824 1.00 0.00 C ATOM 204 O ASP A 13 -0.787 4.878 7.725 1.00 0.00 O ATOM 205 CB ASP A 13 -1.346 7.864 6.491 1.00 0.00 C ATOM 206 CG ASP A 13 -0.764 8.869 5.517 1.00 0.00 C ATOM 207 OD1 ASP A 13 -1.477 9.258 4.568 1.00 0.00 O ATOM 208 OD2 ASP A 13 0.406 9.267 5.702 1.00 0.00 O ATOM 0 H ASP A 13 -2.902 5.546 4.967 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.879 6.442 4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.383 8.124 6.701 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.805 7.922 7.436 1.00 0.00 H new ATOM 213 N CYS A 14 0.949 5.694 6.543 1.00 0.00 N ATOM 214 CA CYS A 14 1.963 4.958 7.289 1.00 0.00 C ATOM 215 C CYS A 14 2.970 5.924 7.912 1.00 0.00 C ATOM 216 O CYS A 14 3.969 6.280 7.287 1.00 0.00 O ATOM 217 CB CYS A 14 2.683 3.972 6.366 1.00 0.00 C ATOM 218 SG CYS A 14 3.405 2.535 7.223 1.00 0.00 S ATOM 0 H CYS A 14 1.323 6.283 5.799 1.00 0.00 H new ATOM 0 HA CYS A 14 1.473 4.401 8.088 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.979 3.616 5.614 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.476 4.500 5.836 1.00 0.00 H new ATOM 223 N PRO A 15 2.711 6.373 9.154 1.00 0.00 N ATOM 224 CA PRO A 15 3.591 7.314 9.855 1.00 0.00 C ATOM 225 C PRO A 15 4.849 6.654 10.411 1.00 0.00 C ATOM 226 O PRO A 15 5.946 7.201 10.304 1.00 0.00 O ATOM 227 CB PRO A 15 2.711 7.823 10.995 1.00 0.00 C ATOM 228 CG PRO A 15 1.787 6.692 11.285 1.00 0.00 C ATOM 229 CD PRO A 15 1.533 6.010 9.966 1.00 0.00 C ATOM 0 HA PRO A 15 3.961 8.094 9.189 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.306 8.084 11.870 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.163 8.719 10.704 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.230 6.001 12.002 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.856 7.052 11.723 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.445 4.930 10.084 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.607 6.357 9.507 1.00 0.00 H new ATOM 237 N ASN A 16 4.684 5.481 11.012 1.00 0.00 N ATOM 238 CA ASN A 16 5.807 4.754 11.594 1.00 0.00 C ATOM 239 C ASN A 16 6.908 4.512 10.564 1.00 0.00 C ATOM 240 O ASN A 16 6.795 3.623 9.719 1.00 0.00 O ATOM 241 CB ASN A 16 5.330 3.418 12.168 1.00 0.00 C ATOM 242 CG ASN A 16 6.442 2.654 12.860 1.00 0.00 C ATOM 243 OD1 ASN A 16 7.544 2.519 12.328 1.00 0.00 O ATOM 244 ND2 ASN A 16 6.158 2.149 14.055 1.00 0.00 N ATOM 0 H ASN A 16 3.783 5.013 11.109 1.00 0.00 H new ATOM 0 HA ASN A 16 6.221 5.366 12.396 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.522 3.598 12.877 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.919 2.807 11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.867 1.625 14.569 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.231 2.285 14.459 1.00 0.00 H new ATOM 251 N GLY A 17 7.977 5.301 10.645 1.00 0.00 N ATOM 252 CA GLY A 17 9.083 5.145 9.717 1.00 0.00 C ATOM 253 C GLY A 17 9.567 6.462 9.140 1.00 0.00 C ATOM 254 O GLY A 17 9.258 7.532 9.664 1.00 0.00 O ATOM 0 H GLY A 17 8.096 6.043 11.335 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.911 4.653 10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.776 4.489 8.902 1.00 0.00 H new ATOM 258 N HIS A 18 10.334 6.376 8.055 1.00 0.00 N ATOM 259 CA HIS A 18 10.875 7.558 7.393 1.00 0.00 C ATOM 260 C HIS A 18 11.197 7.260 5.930 1.00 0.00 C ATOM 261 O HIS A 18 10.555 7.795 5.025 1.00 0.00 O ATOM 262 CB HIS A 18 12.132 8.044 8.116 1.00 0.00 C ATOM 263 CG HIS A 18 12.439 9.489 7.875 1.00 0.00 C ATOM 264 ND1 HIS A 18 12.631 10.018 6.616 1.00 0.00 N ATOM 265 CD2 HIS A 18 12.585 10.521 8.741 1.00 0.00 C ATOM 266 CE1 HIS A 18 12.884 11.311 6.718 1.00 0.00 C ATOM 267 NE2 HIS A 18 12.861 11.641 7.996 1.00 0.00 N ATOM 0 H HIS A 18 10.595 5.494 7.615 1.00 0.00 H new ATOM 0 HA HIS A 18 10.119 8.343 7.429 1.00 0.00 H new ATOM 0 HB2 HIS A 18 12.012 7.880 9.187 1.00 0.00 H new ATOM 0 HB3 HIS A 18 12.982 7.442 7.795 1.00 0.00 H new ATOM 0 HD2 HIS A 18 12.500 10.472 9.817 1.00 0.00 H new ATOM 0 HE1 HIS A 18 13.077 11.984 5.895 1.00 0.00 H new ATOM 0 HE2 HIS A 18 13.022 12.576 8.370 1.00 0.00 H new ATOM 276 N VAL A 19 12.190 6.399 5.701 1.00 0.00 N ATOM 277 CA VAL A 19 12.582 6.033 4.341 1.00 0.00 C ATOM 278 C VAL A 19 11.397 5.451 3.582 1.00 0.00 C ATOM 279 O VAL A 19 10.748 4.517 4.054 1.00 0.00 O ATOM 280 CB VAL A 19 13.737 5.005 4.332 1.00 0.00 C ATOM 281 CG1 VAL A 19 15.068 5.696 4.590 1.00 0.00 C ATOM 282 CG2 VAL A 19 13.488 3.911 5.359 1.00 0.00 C ATOM 0 H VAL A 19 12.734 5.945 6.435 1.00 0.00 H new ATOM 0 HA VAL A 19 12.925 6.945 3.853 1.00 0.00 H new ATOM 0 HB VAL A 19 13.779 4.542 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 19 15.869 4.957 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 19 15.249 6.438 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.040 6.188 5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.312 3.197 5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.418 4.354 6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.556 3.397 5.124 1.00 0.00 H new ATOM 292 N CYS A 20 11.116 6.000 2.405 1.00 0.00 N ATOM 293 CA CYS A 20 10.007 5.516 1.598 1.00 0.00 C ATOM 294 C CYS A 20 10.416 4.256 0.854 1.00 0.00 C ATOM 295 O CYS A 20 11.071 4.324 -0.186 1.00 0.00 O ATOM 296 CB CYS A 20 9.549 6.590 0.609 1.00 0.00 C ATOM 297 SG CYS A 20 7.739 6.715 0.439 1.00 0.00 S ATOM 0 H CYS A 20 11.637 6.774 1.993 1.00 0.00 H new ATOM 0 HA CYS A 20 9.173 5.282 2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.941 7.555 0.929 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.982 6.378 -0.369 1.00 0.00 H new ATOM 302 N TYR A 21 10.049 3.102 1.400 1.00 0.00 N ATOM 303 CA TYR A 21 10.409 1.835 0.780 1.00 0.00 C ATOM 304 C TYR A 21 9.221 0.906 0.603 1.00 0.00 C ATOM 305 O TYR A 21 8.344 0.805 1.457 1.00 0.00 O ATOM 306 CB TYR A 21 11.525 1.143 1.577 1.00 0.00 C ATOM 307 CG TYR A 21 11.088 0.477 2.872 1.00 0.00 C ATOM 308 CD1 TYR A 21 9.939 0.873 3.548 1.00 0.00 C ATOM 309 CD2 TYR A 21 11.844 -0.552 3.420 1.00 0.00 C ATOM 310 CE1 TYR A 21 9.558 0.263 4.727 1.00 0.00 C ATOM 311 CE2 TYR A 21 11.468 -1.166 4.597 1.00 0.00 C ATOM 312 CZ TYR A 21 10.326 -0.756 5.247 1.00 0.00 C ATOM 313 OH TYR A 21 9.950 -1.366 6.422 1.00 0.00 O ATOM 0 H TYR A 21 9.509 3.019 2.261 1.00 0.00 H new ATOM 0 HA TYR A 21 10.775 2.067 -0.220 1.00 0.00 H new ATOM 0 HB2 TYR A 21 11.989 0.390 0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 21 12.293 1.881 1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.334 1.671 3.144 1.00 0.00 H new ATOM 0 HD2 TYR A 21 12.742 -0.877 2.916 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.663 0.583 5.239 1.00 0.00 H new ATOM 0 HE2 TYR A 21 12.068 -1.965 5.007 1.00 0.00 H new ATOM 0 HH TYR A 21 10.747 -1.682 6.896 1.00 0.00 H new ATOM 323 N THR A 22 9.213 0.214 -0.525 1.00 0.00 N ATOM 324 CA THR A 22 8.146 -0.726 -0.827 1.00 0.00 C ATOM 325 C THR A 22 8.535 -2.113 -0.358 1.00 0.00 C ATOM 326 O THR A 22 9.237 -2.846 -1.060 1.00 0.00 O ATOM 327 CB THR A 22 7.829 -0.753 -2.321 1.00 0.00 C ATOM 328 OG1 THR A 22 6.788 -1.678 -2.589 1.00 0.00 O ATOM 329 CG2 THR A 22 9.009 -1.142 -3.176 1.00 0.00 C ATOM 0 H THR A 22 9.932 0.285 -1.245 1.00 0.00 H new ATOM 0 HA THR A 22 7.250 -0.398 -0.300 1.00 0.00 H new ATOM 0 HB THR A 22 7.537 0.266 -2.575 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.142 -2.591 -2.543 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.714 -1.141 -4.225 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.818 -0.427 -3.026 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.349 -2.139 -2.895 1.00 0.00 H new ATOM 337 N LYS A 23 8.082 -2.464 0.835 1.00 0.00 N ATOM 338 CA LYS A 23 8.382 -3.762 1.406 1.00 0.00 C ATOM 339 C LYS A 23 7.412 -4.801 0.870 1.00 0.00 C ATOM 340 O LYS A 23 6.494 -5.238 1.564 1.00 0.00 O ATOM 341 CB LYS A 23 8.310 -3.692 2.936 1.00 0.00 C ATOM 342 CG LYS A 23 9.540 -4.240 3.636 1.00 0.00 C ATOM 343 CD LYS A 23 9.642 -3.733 5.068 1.00 0.00 C ATOM 344 CE LYS A 23 9.442 -4.846 6.085 1.00 0.00 C ATOM 345 NZ LYS A 23 8.055 -4.861 6.628 1.00 0.00 N ATOM 0 H LYS A 23 7.505 -1.865 1.425 1.00 0.00 H new ATOM 0 HA LYS A 23 9.393 -4.053 1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.166 -2.654 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.434 -4.246 3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.504 -5.329 3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.433 -3.951 3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.619 -3.274 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.896 -2.955 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.660 -5.807 5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.151 -4.721 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.718 -5.843 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.048 -4.430 7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.429 -4.320 5.997 1.00 0.00 H new ATOM 359 N THR A 24 7.629 -5.187 -0.376 1.00 0.00 N ATOM 360 CA THR A 24 6.786 -6.175 -1.030 1.00 0.00 C ATOM 361 C THR A 24 7.372 -7.565 -0.857 1.00 0.00 C ATOM 362 O THR A 24 7.946 -8.134 -1.785 1.00 0.00 O ATOM 363 CB THR A 24 6.633 -5.848 -2.516 1.00 0.00 C ATOM 364 OG1 THR A 24 6.413 -4.462 -2.706 1.00 0.00 O ATOM 365 CG2 THR A 24 5.493 -6.590 -3.178 1.00 0.00 C ATOM 0 H THR A 24 8.386 -4.829 -0.958 1.00 0.00 H new ATOM 0 HA THR A 24 5.800 -6.150 -0.565 1.00 0.00 H new ATOM 0 HB THR A 24 7.568 -6.165 -2.978 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.320 -4.274 -3.663 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.441 -6.312 -4.231 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.660 -7.664 -3.094 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.555 -6.330 -2.687 1.00 0.00 H new ATOM 373 N TRP A 25 7.221 -8.102 0.343 1.00 0.00 N ATOM 374 CA TRP A 25 7.736 -9.428 0.656 1.00 0.00 C ATOM 375 C TRP A 25 6.674 -10.294 1.308 1.00 0.00 C ATOM 376 O TRP A 25 6.135 -11.212 0.693 1.00 0.00 O ATOM 377 CB TRP A 25 8.988 -9.326 1.539 1.00 0.00 C ATOM 378 CG TRP A 25 8.769 -8.639 2.852 1.00 0.00 C ATOM 379 CD1 TRP A 25 8.298 -7.374 3.045 1.00 0.00 C ATOM 380 CD2 TRP A 25 9.007 -9.183 4.156 1.00 0.00 C ATOM 381 NE1 TRP A 25 8.218 -7.101 4.388 1.00 0.00 N ATOM 382 CE2 TRP A 25 8.652 -8.194 5.091 1.00 0.00 C ATOM 383 CE3 TRP A 25 9.484 -10.412 4.622 1.00 0.00 C ATOM 384 CZ2 TRP A 25 8.759 -8.395 6.465 1.00 0.00 C ATOM 385 CZ3 TRP A 25 9.591 -10.610 5.986 1.00 0.00 C ATOM 386 CH2 TRP A 25 9.229 -9.607 6.893 1.00 0.00 C ATOM 0 H TRP A 25 6.745 -7.640 1.118 1.00 0.00 H new ATOM 0 HA TRP A 25 8.018 -9.909 -0.280 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.367 -10.331 1.728 1.00 0.00 H new ATOM 0 HB3 TRP A 25 9.762 -8.792 0.989 1.00 0.00 H new ATOM 0 HD1 TRP A 25 8.027 -6.687 2.257 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.889 -6.226 4.796 1.00 0.00 H new ATOM 0 HE3 TRP A 25 9.764 -11.192 3.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 8.481 -7.623 7.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.960 -11.554 6.358 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.323 -9.794 7.953 1.00 0.00 H new ATOM 397 N CYS A 26 6.384 -9.980 2.550 1.00 0.00 N ATOM 398 CA CYS A 26 5.390 -10.691 3.347 1.00 0.00 C ATOM 399 C CYS A 26 5.334 -12.173 2.992 1.00 0.00 C ATOM 400 O CYS A 26 4.254 -12.759 2.953 1.00 0.00 O ATOM 401 CB CYS A 26 4.010 -10.055 3.170 1.00 0.00 C ATOM 402 SG CYS A 26 3.578 -9.676 1.443 1.00 0.00 S ATOM 0 H CYS A 26 6.835 -9.213 3.049 1.00 0.00 H new ATOM 0 HA CYS A 26 5.691 -10.611 4.392 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.257 -10.727 3.582 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.969 -9.135 3.753 1.00 0.00 H new ATOM 407 N ASP A 27 6.509 -12.765 2.733 1.00 0.00 N ATOM 408 CA ASP A 27 6.618 -14.189 2.377 1.00 0.00 C ATOM 409 C ASP A 27 6.637 -14.380 0.859 1.00 0.00 C ATOM 410 O ASP A 27 6.772 -13.420 0.104 1.00 0.00 O ATOM 411 CB ASP A 27 5.484 -15.019 3.022 1.00 0.00 C ATOM 412 CG ASP A 27 4.313 -15.292 2.090 1.00 0.00 C ATOM 413 OD1 ASP A 27 3.996 -14.418 1.256 1.00 0.00 O ATOM 414 OD2 ASP A 27 3.715 -16.383 2.196 1.00 0.00 O ATOM 0 H ASP A 27 7.404 -12.276 2.764 1.00 0.00 H new ATOM 0 HA ASP A 27 7.565 -14.554 2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.893 -15.970 3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.119 -14.493 3.904 1.00 0.00 H new ATOM 419 N ALA A 28 6.500 -15.627 0.421 1.00 0.00 N ATOM 420 CA ALA A 28 6.499 -15.940 -1.002 1.00 0.00 C ATOM 421 C ALA A 28 5.157 -15.588 -1.636 1.00 0.00 C ATOM 422 O ALA A 28 5.104 -14.996 -2.714 1.00 0.00 O ATOM 423 CB ALA A 28 6.819 -17.411 -1.219 1.00 0.00 C ATOM 0 H ALA A 28 6.388 -16.437 1.031 1.00 0.00 H new ATOM 0 HA ALA A 28 7.270 -15.339 -1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.815 -17.631 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.803 -17.634 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.069 -18.024 -0.720 1.00 0.00 H new ATOM 429 N PHE A 29 4.075 -15.955 -0.958 1.00 0.00 N ATOM 430 CA PHE A 29 2.731 -15.679 -1.452 1.00 0.00 C ATOM 431 C PHE A 29 1.926 -14.881 -0.430 1.00 0.00 C ATOM 432 O PHE A 29 1.300 -15.452 0.463 1.00 0.00 O ATOM 433 CB PHE A 29 2.007 -16.986 -1.778 1.00 0.00 C ATOM 434 CG PHE A 29 1.879 -17.912 -0.601 1.00 0.00 C ATOM 435 CD1 PHE A 29 2.981 -18.605 -0.125 1.00 0.00 C ATOM 436 CD2 PHE A 29 0.657 -18.089 0.028 1.00 0.00 C ATOM 437 CE1 PHE A 29 2.866 -19.458 0.957 1.00 0.00 C ATOM 438 CE2 PHE A 29 0.537 -18.940 1.111 1.00 0.00 C ATOM 439 CZ PHE A 29 1.642 -19.625 1.576 1.00 0.00 C ATOM 0 H PHE A 29 4.103 -16.445 -0.064 1.00 0.00 H new ATOM 0 HA PHE A 29 2.822 -15.084 -2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.012 -16.755 -2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.543 -17.499 -2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.940 -18.477 -0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.211 -17.556 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.732 -19.993 1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.421 -19.069 1.593 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.550 -20.290 2.422 1.00 0.00 H new ATOM 449 N CYS A 30 1.947 -13.559 -0.569 1.00 0.00 N ATOM 450 CA CYS A 30 1.218 -12.680 0.340 1.00 0.00 C ATOM 451 C CYS A 30 -0.277 -13.005 0.321 1.00 0.00 C ATOM 452 O CYS A 30 -0.677 -14.085 -0.116 1.00 0.00 O ATOM 453 CB CYS A 30 1.440 -11.218 -0.055 1.00 0.00 C ATOM 454 SG CYS A 30 1.591 -10.074 1.355 1.00 0.00 S ATOM 0 H CYS A 30 2.461 -13.072 -1.303 1.00 0.00 H new ATOM 0 HA CYS A 30 1.594 -12.839 1.351 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.344 -11.151 -0.660 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.611 -10.894 -0.683 1.00 0.00 H new ATOM 459 N SER A 31 -1.103 -12.069 0.791 1.00 0.00 N ATOM 460 CA SER A 31 -2.547 -12.275 0.814 1.00 0.00 C ATOM 461 C SER A 31 -3.284 -11.052 1.359 1.00 0.00 C ATOM 462 O SER A 31 -3.768 -11.061 2.491 1.00 0.00 O ATOM 463 CB SER A 31 -2.894 -13.506 1.655 1.00 0.00 C ATOM 464 OG SER A 31 -2.376 -13.389 2.969 1.00 0.00 O ATOM 0 H SER A 31 -0.797 -11.168 1.158 1.00 0.00 H new ATOM 0 HA SER A 31 -2.872 -12.433 -0.214 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.976 -13.628 1.697 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.490 -14.400 1.180 1.00 0.00 H new ATOM 0 HG SER A 31 -2.589 -12.502 3.327 1.00 0.00 H new ATOM 470 N ILE A 32 -3.385 -10.007 0.541 1.00 0.00 N ATOM 471 CA ILE A 32 -4.085 -8.789 0.938 1.00 0.00 C ATOM 472 C ILE A 32 -5.207 -8.471 -0.044 1.00 0.00 C ATOM 473 O ILE A 32 -5.167 -7.460 -0.744 1.00 0.00 O ATOM 474 CB ILE A 32 -3.142 -7.570 1.019 1.00 0.00 C ATOM 475 CG1 ILE A 32 -1.905 -7.890 1.855 1.00 0.00 C ATOM 476 CG2 ILE A 32 -3.880 -6.371 1.602 1.00 0.00 C ATOM 477 CD1 ILE A 32 -2.224 -8.448 3.225 1.00 0.00 C ATOM 0 H ILE A 32 -2.991 -9.980 -0.400 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.493 -8.978 1.931 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.814 -7.325 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.288 -8.608 1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.311 -6.983 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.204 -5.518 1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.730 -6.123 0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.235 -6.614 2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.296 -8.651 3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.815 -7.723 3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.791 -9.373 3.118 1.00 0.00 H new ATOM 489 N ARG A 33 -6.210 -9.339 -0.096 1.00 0.00 N ATOM 490 CA ARG A 33 -7.340 -9.143 -0.999 1.00 0.00 C ATOM 491 C ARG A 33 -6.909 -9.349 -2.448 1.00 0.00 C ATOM 492 O ARG A 33 -7.333 -10.301 -3.102 1.00 0.00 O ATOM 493 CB ARG A 33 -7.932 -7.739 -0.826 1.00 0.00 C ATOM 494 CG ARG A 33 -7.998 -7.270 0.621 1.00 0.00 C ATOM 495 CD ARG A 33 -9.332 -7.614 1.259 1.00 0.00 C ATOM 496 NE ARG A 33 -9.199 -8.642 2.288 1.00 0.00 N ATOM 497 CZ ARG A 33 -8.532 -8.468 3.427 1.00 0.00 C ATOM 498 NH1 ARG A 33 -7.931 -7.313 3.681 1.00 0.00 N ATOM 499 NH2 ARG A 33 -8.466 -9.452 4.314 1.00 0.00 N ATOM 0 H ARG A 33 -6.265 -10.183 0.474 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.104 -9.879 -0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.335 -7.031 -1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.937 -7.725 -1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.192 -7.731 1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.841 -6.192 0.662 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.766 -6.716 1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.023 -7.959 0.490 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.643 -9.546 2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.979 -6.553 3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.421 -7.185 4.555 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.926 -10.342 4.123 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.955 -9.319 5.187 1.00 0.00 H new ATOM 513 N GLY A 34 -6.060 -8.451 -2.942 1.00 0.00 N ATOM 514 CA GLY A 34 -5.583 -8.554 -4.308 1.00 0.00 C ATOM 515 C GLY A 34 -5.304 -7.201 -4.937 1.00 0.00 C ATOM 516 O GLY A 34 -5.679 -6.955 -6.083 1.00 0.00 O ATOM 0 H GLY A 34 -5.695 -7.655 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.672 -9.153 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.324 -9.083 -4.908 1.00 0.00 H new ATOM 520 N LYS A 35 -4.640 -6.320 -4.190 1.00 0.00 N ATOM 521 CA LYS A 35 -4.312 -4.989 -4.693 1.00 0.00 C ATOM 522 C LYS A 35 -2.806 -4.825 -4.868 1.00 0.00 C ATOM 523 O LYS A 35 -2.021 -5.635 -4.374 1.00 0.00 O ATOM 524 CB LYS A 35 -4.860 -3.911 -3.760 1.00 0.00 C ATOM 525 CG LYS A 35 -5.204 -2.602 -4.458 1.00 0.00 C ATOM 526 CD LYS A 35 -6.144 -2.808 -5.639 1.00 0.00 C ATOM 527 CE LYS A 35 -7.390 -3.587 -5.244 1.00 0.00 C ATOM 528 NZ LYS A 35 -8.280 -2.797 -4.349 1.00 0.00 N ATOM 0 H LYS A 35 -4.320 -6.504 -3.239 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.782 -4.875 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.753 -4.293 -3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.125 -3.712 -2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.666 -1.922 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.287 -2.125 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.435 -1.839 -6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.619 -3.341 -6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.939 -3.873 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.097 -4.509 -4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.654 -3.413 -3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.739 -2.019 -3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.070 -2.406 -4.902 1.00 0.00 H new ATOM 542 N ARG A 36 -2.409 -3.777 -5.584 1.00 0.00 N ATOM 543 CA ARG A 36 -0.995 -3.512 -5.837 1.00 0.00 C ATOM 544 C ARG A 36 -0.256 -3.179 -4.543 1.00 0.00 C ATOM 545 O ARG A 36 -0.868 -3.032 -3.485 1.00 0.00 O ATOM 546 CB ARG A 36 -0.828 -2.365 -6.841 1.00 0.00 C ATOM 547 CG ARG A 36 -1.918 -2.306 -7.904 1.00 0.00 C ATOM 548 CD ARG A 36 -1.333 -2.194 -9.304 1.00 0.00 C ATOM 549 NE ARG A 36 -0.461 -3.322 -9.629 1.00 0.00 N ATOM 550 CZ ARG A 36 0.870 -3.282 -9.567 1.00 0.00 C ATOM 551 NH1 ARG A 36 1.497 -2.175 -9.186 1.00 0.00 N ATOM 552 NH2 ARG A 36 1.579 -4.357 -9.884 1.00 0.00 N ATOM 0 H ARG A 36 -3.046 -3.097 -5.999 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.562 -4.418 -6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.813 -1.420 -6.298 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.140 -2.465 -7.333 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.538 -3.200 -7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.568 -1.452 -7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.143 -2.142 -10.031 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.769 -1.265 -9.387 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.899 -4.195 -9.922 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.960 -1.344 -8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.516 -2.155 -9.142 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.106 -5.213 -10.175 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.598 -4.328 -9.837 1.00 0.00 H new ATOM 566 N VAL A 37 1.065 -3.060 -4.640 1.00 0.00 N ATOM 567 CA VAL A 37 1.898 -2.744 -3.483 1.00 0.00 C ATOM 568 C VAL A 37 2.544 -1.359 -3.651 1.00 0.00 C ATOM 569 O VAL A 37 1.864 -0.405 -4.027 1.00 0.00 O ATOM 570 CB VAL A 37 2.979 -3.829 -3.260 1.00 0.00 C ATOM 571 CG1 VAL A 37 3.441 -3.837 -1.810 1.00 0.00 C ATOM 572 CG2 VAL A 37 2.456 -5.202 -3.659 1.00 0.00 C ATOM 0 H VAL A 37 1.583 -3.178 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 37 1.259 -2.725 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 37 3.834 -3.590 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.201 -4.607 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.861 -2.864 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.592 -4.046 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.232 -5.949 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.582 -5.448 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.179 -5.194 -4.713 1.00 0.00 H new ATOM 582 N ASP A 38 3.848 -1.240 -3.379 1.00 0.00 N ATOM 583 CA ASP A 38 4.544 0.039 -3.516 1.00 0.00 C ATOM 584 C ASP A 38 4.105 1.027 -2.439 1.00 0.00 C ATOM 585 O ASP A 38 2.931 1.386 -2.346 1.00 0.00 O ATOM 586 CB ASP A 38 4.309 0.636 -4.908 1.00 0.00 C ATOM 587 CG ASP A 38 5.556 0.592 -5.770 1.00 0.00 C ATOM 588 OD1 ASP A 38 6.087 -0.517 -5.990 1.00 0.00 O ATOM 589 OD2 ASP A 38 6.004 1.666 -6.224 1.00 0.00 O ATOM 0 H ASP A 38 4.438 -2.010 -3.065 1.00 0.00 H new ATOM 0 HA ASP A 38 5.610 -0.150 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.507 0.090 -5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.976 1.669 -4.807 1.00 0.00 H new ATOM 594 N LEU A 39 5.067 1.461 -1.630 1.00 0.00 N ATOM 595 CA LEU A 39 4.812 2.410 -0.550 1.00 0.00 C ATOM 596 C LEU A 39 6.096 2.648 0.243 1.00 0.00 C ATOM 597 O LEU A 39 7.187 2.394 -0.264 1.00 0.00 O ATOM 598 CB LEU A 39 3.696 1.893 0.361 1.00 0.00 C ATOM 599 CG LEU A 39 3.877 0.456 0.859 1.00 0.00 C ATOM 600 CD1 LEU A 39 3.699 0.381 2.369 1.00 0.00 C ATOM 601 CD2 LEU A 39 2.900 -0.477 0.158 1.00 0.00 C ATOM 0 H LEU A 39 6.041 1.167 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 39 4.486 3.358 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.618 2.553 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.750 1.958 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 39 4.892 0.137 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.832 -0.649 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.439 1.017 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.698 0.721 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.042 -1.494 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.879 -0.157 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.078 -0.450 -0.917 1.00 0.00 H new ATOM 613 N GLY A 40 5.979 3.132 1.480 1.00 0.00 N ATOM 614 CA GLY A 40 7.170 3.372 2.275 1.00 0.00 C ATOM 615 C GLY A 40 6.890 3.972 3.638 1.00 0.00 C ATOM 616 O GLY A 40 6.066 4.876 3.774 1.00 0.00 O ATOM 0 H GLY A 40 5.096 3.358 1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.703 2.430 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.833 4.039 1.725 1.00 0.00 H new ATOM 620 N CYS A 41 7.600 3.466 4.648 1.00 0.00 N ATOM 621 CA CYS A 41 7.457 3.945 6.019 1.00 0.00 C ATOM 622 C CYS A 41 8.305 3.110 6.977 1.00 0.00 C ATOM 623 O CYS A 41 7.791 2.238 7.677 1.00 0.00 O ATOM 624 CB CYS A 41 5.992 3.913 6.458 1.00 0.00 C ATOM 625 SG CYS A 41 5.200 2.280 6.309 1.00 0.00 S ATOM 0 H CYS A 41 8.285 2.718 4.538 1.00 0.00 H new ATOM 0 HA CYS A 41 7.808 4.977 6.048 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.929 4.241 7.496 1.00 0.00 H new ATOM 0 HB3 CYS A 41 5.430 4.632 5.861 1.00 0.00 H new ATOM 630 N ALA A 42 9.607 3.388 7.004 1.00 0.00 N ATOM 631 CA ALA A 42 10.530 2.668 7.878 1.00 0.00 C ATOM 632 C ALA A 42 11.839 3.434 8.043 1.00 0.00 C ATOM 633 O ALA A 42 11.986 4.544 7.533 1.00 0.00 O ATOM 634 CB ALA A 42 10.799 1.275 7.334 1.00 0.00 C ATOM 0 H ALA A 42 10.047 4.107 6.430 1.00 0.00 H new ATOM 0 HA ALA A 42 10.064 2.578 8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.488 0.752 7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.862 0.721 7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.239 1.351 6.340 1.00 0.00 H new ATOM 640 N ALA A 43 12.788 2.840 8.759 1.00 0.00 N ATOM 641 CA ALA A 43 14.080 3.478 8.988 1.00 0.00 C ATOM 642 C ALA A 43 15.239 2.571 8.598 1.00 0.00 C ATOM 643 O ALA A 43 16.385 2.811 8.978 1.00 0.00 O ATOM 644 CB ALA A 43 14.207 3.886 10.442 1.00 0.00 C ATOM 0 H ALA A 43 12.688 1.921 9.190 1.00 0.00 H new ATOM 0 HA ALA A 43 14.127 4.364 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.175 4.361 10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.412 4.587 10.694 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.126 3.003 11.076 1.00 0.00 H new ATOM 650 N THR A 44 14.934 1.532 7.840 1.00 0.00 N ATOM 651 CA THR A 44 15.952 0.585 7.396 1.00 0.00 C ATOM 652 C THR A 44 15.447 -0.268 6.235 1.00 0.00 C ATOM 653 O THR A 44 14.301 -0.717 6.231 1.00 0.00 O ATOM 654 CB THR A 44 16.381 -0.318 8.555 1.00 0.00 C ATOM 655 OG1 THR A 44 16.045 0.267 9.801 1.00 0.00 O ATOM 656 CG2 THR A 44 17.867 -0.606 8.571 1.00 0.00 C ATOM 0 H THR A 44 13.990 1.319 7.517 1.00 0.00 H new ATOM 0 HA THR A 44 16.811 1.159 7.050 1.00 0.00 H new ATOM 0 HB THR A 44 15.846 -1.255 8.402 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.327 -0.327 10.528 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.104 -1.251 9.417 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.151 -1.105 7.644 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.418 0.330 8.663 1.00 0.00 H new ATOM 664 N CYS A 45 16.318 -0.494 5.255 1.00 0.00 N ATOM 665 CA CYS A 45 15.973 -1.302 4.090 1.00 0.00 C ATOM 666 C CYS A 45 17.086 -2.311 3.787 1.00 0.00 C ATOM 667 O CYS A 45 17.593 -2.373 2.667 1.00 0.00 O ATOM 668 CB CYS A 45 15.705 -0.412 2.861 1.00 0.00 C ATOM 669 SG CYS A 45 16.134 1.352 3.075 1.00 0.00 S ATOM 0 H CYS A 45 17.270 -0.128 5.245 1.00 0.00 H new ATOM 0 HA CYS A 45 15.059 -1.850 4.318 1.00 0.00 H new ATOM 0 HB2 CYS A 45 16.268 -0.807 2.016 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.649 -0.485 2.602 1.00 0.00 H new ATOM 674 N PRO A 46 17.489 -3.115 4.794 1.00 0.00 N ATOM 675 CA PRO A 46 18.548 -4.114 4.638 1.00 0.00 C ATOM 676 C PRO A 46 18.036 -5.443 4.089 1.00 0.00 C ATOM 677 O PRO A 46 17.653 -6.333 4.848 1.00 0.00 O ATOM 678 CB PRO A 46 19.044 -4.289 6.068 1.00 0.00 C ATOM 679 CG PRO A 46 17.825 -4.098 6.905 1.00 0.00 C ATOM 680 CD PRO A 46 16.952 -3.108 6.170 1.00 0.00 C ATOM 0 HA PRO A 46 19.310 -3.799 3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 46 19.481 -5.276 6.220 1.00 0.00 H new ATOM 0 HB3 PRO A 46 19.815 -3.558 6.314 1.00 0.00 H new ATOM 0 HG2 PRO A 46 17.302 -5.043 7.051 1.00 0.00 H new ATOM 0 HG3 PRO A 46 18.088 -3.724 7.894 1.00 0.00 H new ATOM 0 HD2 PRO A 46 15.904 -3.406 6.191 1.00 0.00 H new ATOM 0 HD3 PRO A 46 17.010 -2.115 6.617 1.00 0.00 H new ATOM 688 N THR A 47 18.043 -5.571 2.764 1.00 0.00 N ATOM 689 CA THR A 47 17.591 -6.786 2.091 1.00 0.00 C ATOM 690 C THR A 47 17.402 -6.507 0.596 1.00 0.00 C ATOM 691 O THR A 47 18.384 -6.330 -0.125 1.00 0.00 O ATOM 692 CB THR A 47 16.302 -7.327 2.731 1.00 0.00 C ATOM 693 OG1 THR A 47 15.628 -8.206 1.848 1.00 0.00 O ATOM 694 CG2 THR A 47 15.326 -6.243 3.135 1.00 0.00 C ATOM 0 H THR A 47 18.361 -4.839 2.129 1.00 0.00 H new ATOM 0 HA THR A 47 18.352 -7.558 2.206 1.00 0.00 H new ATOM 0 HB THR A 47 16.631 -7.848 3.630 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.812 -8.539 2.277 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.441 -6.698 3.579 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.797 -5.581 3.862 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.036 -5.668 2.255 1.00 0.00 H new ATOM 702 N VAL A 48 16.156 -6.448 0.126 1.00 0.00 N ATOM 703 CA VAL A 48 15.900 -6.170 -1.283 1.00 0.00 C ATOM 704 C VAL A 48 16.499 -7.249 -2.169 1.00 0.00 C ATOM 705 O VAL A 48 17.106 -6.961 -3.201 1.00 0.00 O ATOM 706 CB VAL A 48 16.505 -4.824 -1.702 1.00 0.00 C ATOM 707 CG1 VAL A 48 15.722 -4.228 -2.859 1.00 0.00 C ATOM 708 CG2 VAL A 48 16.565 -3.856 -0.528 1.00 0.00 C ATOM 0 H VAL A 48 15.320 -6.587 0.693 1.00 0.00 H new ATOM 0 HA VAL A 48 14.817 -6.144 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 48 17.528 -5.001 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.164 -3.273 -3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.752 -4.910 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 48 14.687 -4.072 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 48 16.998 -2.912 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.558 -3.681 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 48 17.181 -4.282 0.264 1.00 0.00 H new ATOM 718 N LYS A 49 16.349 -8.488 -1.747 1.00 0.00 N ATOM 719 CA LYS A 49 16.907 -9.612 -2.495 1.00 0.00 C ATOM 720 C LYS A 49 15.851 -10.667 -2.839 1.00 0.00 C ATOM 721 O LYS A 49 14.713 -10.340 -3.175 1.00 0.00 O ATOM 722 CB LYS A 49 18.051 -10.254 -1.706 1.00 0.00 C ATOM 723 CG LYS A 49 18.850 -9.278 -0.870 1.00 0.00 C ATOM 724 CD LYS A 49 19.441 -9.967 0.344 1.00 0.00 C ATOM 725 CE LYS A 49 20.810 -9.408 0.698 1.00 0.00 C ATOM 726 NZ LYS A 49 20.848 -7.923 0.602 1.00 0.00 N ATOM 0 H LYS A 49 15.850 -8.748 -0.896 1.00 0.00 H new ATOM 0 HA LYS A 49 17.287 -9.215 -3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.640 -11.024 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.723 -10.754 -2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.648 -8.845 -1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 49 18.209 -8.456 -0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.769 -9.847 1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.524 -11.037 0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.075 -9.713 1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 49 21.559 -9.834 0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.432 -7.540 1.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.256 -7.645 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.882 -7.545 0.680 1.00 0.00 H new ATOM 740 N THR A 50 16.257 -11.939 -2.768 1.00 0.00 N ATOM 741 CA THR A 50 15.379 -13.068 -3.086 1.00 0.00 C ATOM 742 C THR A 50 13.973 -12.879 -2.523 1.00 0.00 C ATOM 743 O THR A 50 13.804 -12.565 -1.346 1.00 0.00 O ATOM 744 CB THR A 50 15.979 -14.367 -2.546 1.00 0.00 C ATOM 745 OG1 THR A 50 16.320 -14.232 -1.178 1.00 0.00 O ATOM 746 CG2 THR A 50 17.224 -14.805 -3.288 1.00 0.00 C ATOM 0 H THR A 50 17.199 -12.213 -2.490 1.00 0.00 H new ATOM 0 HA THR A 50 15.298 -13.120 -4.172 1.00 0.00 H new ATOM 0 HB THR A 50 15.206 -15.122 -2.687 1.00 0.00 H new ATOM 0 HG1 THR A 50 15.738 -13.563 -0.760 1.00 0.00 H new ATOM 0 HG21 THR A 50 17.598 -15.732 -2.855 1.00 0.00 H new ATOM 0 HG22 THR A 50 16.983 -14.967 -4.339 1.00 0.00 H new ATOM 0 HG23 THR A 50 17.988 -14.032 -3.205 1.00 0.00 H new ATOM 754 N GLY A 51 12.971 -13.082 -3.378 1.00 0.00 N ATOM 755 CA GLY A 51 11.588 -12.937 -2.958 1.00 0.00 C ATOM 756 C GLY A 51 11.294 -11.554 -2.418 1.00 0.00 C ATOM 757 O GLY A 51 10.755 -10.703 -3.125 1.00 0.00 O ATOM 0 H GLY A 51 13.094 -13.345 -4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.931 -13.142 -3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.363 -13.679 -2.192 1.00 0.00 H new ATOM 761 N VAL A 52 11.660 -11.330 -1.161 1.00 0.00 N ATOM 762 CA VAL A 52 11.450 -10.043 -0.513 1.00 0.00 C ATOM 763 C VAL A 52 11.968 -8.905 -1.393 1.00 0.00 C ATOM 764 O VAL A 52 13.167 -8.806 -1.652 1.00 0.00 O ATOM 765 CB VAL A 52 12.165 -10.004 0.854 1.00 0.00 C ATOM 766 CG1 VAL A 52 11.958 -8.665 1.549 1.00 0.00 C ATOM 767 CG2 VAL A 52 11.688 -11.153 1.731 1.00 0.00 C ATOM 0 H VAL A 52 12.107 -12.029 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 52 10.379 -9.914 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 52 13.235 -10.120 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.474 -8.670 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.359 -7.866 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.893 -8.500 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.200 -11.114 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.613 -11.068 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.909 -12.101 1.241 1.00 0.00 H new ATOM 777 N ASP A 53 11.056 -8.059 -1.865 1.00 0.00 N ATOM 778 CA ASP A 53 11.427 -6.945 -2.730 1.00 0.00 C ATOM 779 C ASP A 53 11.245 -5.600 -2.032 1.00 0.00 C ATOM 780 O ASP A 53 10.184 -4.980 -2.117 1.00 0.00 O ATOM 781 CB ASP A 53 10.601 -6.983 -4.019 1.00 0.00 C ATOM 782 CG ASP A 53 11.468 -7.011 -5.262 1.00 0.00 C ATOM 783 OD1 ASP A 53 11.940 -5.933 -5.682 1.00 0.00 O ATOM 784 OD2 ASP A 53 11.676 -8.111 -5.817 1.00 0.00 O ATOM 0 H ASP A 53 10.058 -8.124 -1.663 1.00 0.00 H new ATOM 0 HA ASP A 53 12.484 -7.052 -2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.957 -7.863 -4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.948 -6.111 -4.055 1.00 0.00 H new ATOM 789 N ILE A 54 12.298 -5.149 -1.362 1.00 0.00 N ATOM 790 CA ILE A 54 12.281 -3.868 -0.666 1.00 0.00 C ATOM 791 C ILE A 54 12.882 -2.780 -1.547 1.00 0.00 C ATOM 792 O ILE A 54 14.087 -2.537 -1.505 1.00 0.00 O ATOM 793 CB ILE A 54 13.081 -3.924 0.659 1.00 0.00 C ATOM 794 CG1 ILE A 54 12.344 -4.785 1.691 1.00 0.00 C ATOM 795 CG2 ILE A 54 13.331 -2.514 1.201 1.00 0.00 C ATOM 796 CD1 ILE A 54 12.669 -4.437 3.131 1.00 0.00 C ATOM 0 H ILE A 54 13.180 -5.655 -1.286 1.00 0.00 H new ATOM 0 HA ILE A 54 11.239 -3.641 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 54 14.049 -4.383 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.270 -4.680 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 54 12.590 -5.833 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.894 -2.577 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.900 -1.939 0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 54 12.377 -2.021 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.108 -5.091 3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.737 -4.570 3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.396 -3.400 3.325 1.00 0.00 H new ATOM 808 N GLN A 55 12.046 -2.110 -2.325 1.00 0.00 N ATOM 809 CA GLN A 55 12.538 -1.032 -3.176 1.00 0.00 C ATOM 810 C GLN A 55 12.566 0.256 -2.358 1.00 0.00 C ATOM 811 O GLN A 55 11.629 1.054 -2.370 1.00 0.00 O ATOM 812 CB GLN A 55 11.698 -0.913 -4.466 1.00 0.00 C ATOM 813 CG GLN A 55 11.182 0.486 -4.782 1.00 0.00 C ATOM 814 CD GLN A 55 10.731 0.628 -6.222 1.00 0.00 C ATOM 815 OE1 GLN A 55 9.550 0.473 -6.533 1.00 0.00 O ATOM 816 NE2 GLN A 55 11.672 0.924 -7.111 1.00 0.00 N ATOM 0 H GLN A 55 11.043 -2.286 -2.387 1.00 0.00 H new ATOM 0 HA GLN A 55 13.553 -1.246 -3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 55 12.301 -1.258 -5.306 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.845 -1.588 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.349 0.721 -4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.967 1.214 -4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.639 1.044 -6.809 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.428 1.032 -8.095 1.00 0.00 H new ATOM 825 N CYS A 56 13.644 0.412 -1.602 1.00 0.00 N ATOM 826 CA CYS A 56 13.814 1.557 -0.720 1.00 0.00 C ATOM 827 C CYS A 56 14.094 2.844 -1.493 1.00 0.00 C ATOM 828 O CYS A 56 14.650 2.820 -2.591 1.00 0.00 O ATOM 829 CB CYS A 56 14.930 1.264 0.289 1.00 0.00 C ATOM 830 SG CYS A 56 14.909 2.321 1.773 1.00 0.00 S ATOM 0 H CYS A 56 14.421 -0.248 -1.583 1.00 0.00 H new ATOM 0 HA CYS A 56 12.878 1.716 -0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 56 14.856 0.222 0.600 1.00 0.00 H new ATOM 0 HB3 CYS A 56 15.892 1.380 -0.210 1.00 0.00 H new ATOM 835 N CYS A 57 13.689 3.967 -0.901 1.00 0.00 N ATOM 836 CA CYS A 57 13.873 5.281 -1.510 1.00 0.00 C ATOM 837 C CYS A 57 14.066 6.348 -0.433 1.00 0.00 C ATOM 838 O CYS A 57 13.310 6.406 0.541 1.00 0.00 O ATOM 839 CB CYS A 57 12.663 5.634 -2.382 1.00 0.00 C ATOM 840 SG CYS A 57 12.970 5.511 -4.175 1.00 0.00 S ATOM 0 H CYS A 57 13.227 3.991 0.008 1.00 0.00 H new ATOM 0 HA CYS A 57 14.765 5.249 -2.135 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.836 4.974 -2.121 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.345 6.650 -2.148 1.00 0.00 H new ATOM 845 N SER A 58 15.084 7.186 -0.610 1.00 0.00 N ATOM 846 CA SER A 58 15.380 8.244 0.348 1.00 0.00 C ATOM 847 C SER A 58 14.325 9.346 0.306 1.00 0.00 C ATOM 848 O SER A 58 13.984 9.928 1.336 1.00 0.00 O ATOM 849 CB SER A 58 16.762 8.837 0.068 1.00 0.00 C ATOM 850 OG SER A 58 16.984 8.975 -1.324 1.00 0.00 O ATOM 0 H SER A 58 15.717 7.152 -1.409 1.00 0.00 H new ATOM 0 HA SER A 58 15.370 7.803 1.345 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.849 9.810 0.552 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.531 8.196 0.500 1.00 0.00 H new ATOM 0 HG SER A 58 17.873 9.358 -1.477 1.00 0.00 H new ATOM 856 N THR A 59 13.815 9.634 -0.888 1.00 0.00 N ATOM 857 CA THR A 59 12.803 10.673 -1.057 1.00 0.00 C ATOM 858 C THR A 59 11.619 10.448 -0.119 1.00 0.00 C ATOM 859 O THR A 59 11.247 9.310 0.166 1.00 0.00 O ATOM 860 CB THR A 59 12.318 10.716 -2.507 1.00 0.00 C ATOM 861 OG1 THR A 59 11.387 11.767 -2.692 1.00 0.00 O ATOM 862 CG2 THR A 59 11.654 9.432 -2.957 1.00 0.00 C ATOM 0 H THR A 59 14.085 9.164 -1.752 1.00 0.00 H new ATOM 0 HA THR A 59 13.263 11.629 -0.806 1.00 0.00 H new ATOM 0 HB THR A 59 13.215 10.870 -3.106 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.089 11.780 -3.626 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.334 9.532 -3.994 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.362 8.607 -2.873 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.787 9.231 -2.328 1.00 0.00 H new ATOM 870 N ASP A 60 11.033 11.543 0.356 1.00 0.00 N ATOM 871 CA ASP A 60 9.891 11.471 1.261 1.00 0.00 C ATOM 872 C ASP A 60 8.746 10.676 0.638 1.00 0.00 C ATOM 873 O ASP A 60 7.908 10.119 1.347 1.00 0.00 O ATOM 874 CB ASP A 60 9.412 12.878 1.622 1.00 0.00 C ATOM 875 CG ASP A 60 10.161 13.459 2.806 1.00 0.00 C ATOM 876 OD1 ASP A 60 9.893 13.027 3.948 1.00 0.00 O ATOM 877 OD2 ASP A 60 11.015 14.343 2.592 1.00 0.00 O ATOM 0 H ASP A 60 11.331 12.492 0.129 1.00 0.00 H new ATOM 0 HA ASP A 60 10.212 10.958 2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.537 13.533 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.346 12.849 1.849 1.00 0.00 H new ATOM 882 N ASN A 61 8.714 10.628 -0.690 1.00 0.00 N ATOM 883 CA ASN A 61 7.671 9.901 -1.404 1.00 0.00 C ATOM 884 C ASN A 61 8.164 9.453 -2.776 1.00 0.00 C ATOM 885 O ASN A 61 8.195 10.240 -3.721 1.00 0.00 O ATOM 886 CB ASN A 61 6.423 10.773 -1.555 1.00 0.00 C ATOM 887 CG ASN A 61 6.750 12.173 -2.039 1.00 0.00 C ATOM 888 OD1 ASN A 61 7.025 12.386 -3.220 1.00 0.00 O ATOM 889 ND2 ASN A 61 6.722 13.137 -1.125 1.00 0.00 N ATOM 0 H ASN A 61 9.399 11.084 -1.293 1.00 0.00 H new ATOM 0 HA ASN A 61 7.416 9.015 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.736 10.300 -2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 61 5.908 10.834 -0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.934 14.099 -1.391 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.489 12.915 -0.157 1.00 0.00 H new ATOM 896 N CYS A 62 8.551 8.185 -2.878 1.00 0.00 N ATOM 897 CA CYS A 62 9.045 7.639 -4.137 1.00 0.00 C ATOM 898 C CYS A 62 7.914 7.030 -4.948 1.00 0.00 C ATOM 899 O CYS A 62 7.866 5.820 -5.166 1.00 0.00 O ATOM 900 CB CYS A 62 10.142 6.601 -3.879 1.00 0.00 C ATOM 901 SG CYS A 62 11.576 6.739 -4.998 1.00 0.00 S ATOM 0 H CYS A 62 8.532 7.518 -2.106 1.00 0.00 H new ATOM 0 HA CYS A 62 9.472 8.458 -4.716 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.487 6.701 -2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.714 5.603 -3.976 1.00 0.00 H new ATOM 906 N ASN A 63 7.000 7.884 -5.383 1.00 0.00 N ATOM 907 CA ASN A 63 5.858 7.450 -6.161 1.00 0.00 C ATOM 908 C ASN A 63 5.560 8.420 -7.309 1.00 0.00 C ATOM 909 O ASN A 63 5.808 9.620 -7.199 1.00 0.00 O ATOM 910 CB ASN A 63 4.654 7.319 -5.232 1.00 0.00 C ATOM 911 CG ASN A 63 3.784 8.565 -5.193 1.00 0.00 C ATOM 912 OD1 ASN A 63 2.910 8.752 -6.038 1.00 0.00 O ATOM 913 ND2 ASN A 63 4.024 9.423 -4.209 1.00 0.00 N ATOM 0 H ASN A 63 7.031 8.888 -5.207 1.00 0.00 H new ATOM 0 HA ASN A 63 6.080 6.484 -6.613 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.048 6.471 -5.552 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.004 7.098 -4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.473 10.278 -4.132 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.759 9.227 -3.530 1.00 0.00 H new ATOM 920 N PRO A 64 5.013 7.905 -8.426 1.00 0.00 N ATOM 921 CA PRO A 64 4.670 8.715 -9.588 1.00 0.00 C ATOM 922 C PRO A 64 3.255 9.286 -9.487 1.00 0.00 C ATOM 923 O PRO A 64 2.725 9.450 -8.389 1.00 0.00 O ATOM 924 CB PRO A 64 4.785 7.714 -10.741 1.00 0.00 C ATOM 925 CG PRO A 64 4.545 6.362 -10.139 1.00 0.00 C ATOM 926 CD PRO A 64 4.677 6.490 -8.639 1.00 0.00 C ATOM 0 HA PRO A 64 5.312 9.588 -9.703 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.054 7.930 -11.520 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.770 7.765 -11.206 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.553 5.997 -10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.264 5.640 -10.525 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.750 6.220 -8.133 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.455 5.833 -8.250 1.00 0.00 H new ATOM 934 N PHE A 65 2.642 9.590 -10.631 1.00 0.00 N ATOM 935 CA PHE A 65 1.290 10.140 -10.643 1.00 0.00 C ATOM 936 C PHE A 65 0.313 9.237 -11.407 1.00 0.00 C ATOM 937 O PHE A 65 -0.451 9.715 -12.246 1.00 0.00 O ATOM 938 CB PHE A 65 1.294 11.538 -11.266 1.00 0.00 C ATOM 939 CG PHE A 65 1.751 12.616 -10.325 1.00 0.00 C ATOM 940 CD1 PHE A 65 0.993 12.953 -9.215 1.00 0.00 C ATOM 941 CD2 PHE A 65 2.937 13.295 -10.553 1.00 0.00 C ATOM 942 CE1 PHE A 65 1.410 13.946 -8.350 1.00 0.00 C ATOM 943 CE2 PHE A 65 3.359 14.289 -9.691 1.00 0.00 C ATOM 944 CZ PHE A 65 2.595 14.615 -8.588 1.00 0.00 C ATOM 0 H PHE A 65 3.058 9.465 -11.554 1.00 0.00 H new ATOM 0 HA PHE A 65 0.953 10.200 -9.608 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.942 11.534 -12.142 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.288 11.774 -11.614 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.066 12.433 -9.024 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.538 13.044 -11.414 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.810 14.199 -7.488 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.286 14.811 -9.880 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.923 15.391 -7.913 1.00 0.00 H new ATOM 954 N PRO A 66 0.315 7.918 -11.128 1.00 0.00 N ATOM 955 CA PRO A 66 -0.579 6.969 -11.794 1.00 0.00 C ATOM 956 C PRO A 66 -1.938 6.861 -11.105 1.00 0.00 C ATOM 957 O PRO A 66 -2.594 5.822 -11.176 1.00 0.00 O ATOM 958 CB PRO A 66 0.183 5.659 -11.650 1.00 0.00 C ATOM 959 CG PRO A 66 0.841 5.775 -10.318 1.00 0.00 C ATOM 960 CD PRO A 66 1.185 7.236 -10.148 1.00 0.00 C ATOM 0 HA PRO A 66 -0.806 7.259 -12.820 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.487 4.800 -11.692 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.915 5.532 -12.448 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.176 5.436 -9.524 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.736 5.155 -10.270 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.988 7.578 -9.132 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.239 7.425 -10.349 1.00 0.00 H new ATOM 968 N THR A 67 -2.351 7.933 -10.429 1.00 0.00 N ATOM 969 CA THR A 67 -3.628 7.955 -9.717 1.00 0.00 C ATOM 970 C THR A 67 -3.814 6.685 -8.889 1.00 0.00 C ATOM 971 O THR A 67 -2.864 5.933 -8.669 1.00 0.00 O ATOM 972 CB THR A 67 -4.791 8.125 -10.700 1.00 0.00 C ATOM 973 OG1 THR A 67 -6.004 8.349 -10.004 1.00 0.00 O ATOM 974 CG2 THR A 67 -4.997 6.931 -11.607 1.00 0.00 C ATOM 0 H THR A 67 -1.818 8.800 -10.360 1.00 0.00 H new ATOM 0 HA THR A 67 -3.619 8.807 -9.038 1.00 0.00 H new ATOM 0 HB THR A 67 -4.521 8.982 -11.317 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.735 8.457 -10.647 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.836 7.122 -12.275 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.096 6.762 -12.196 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.208 6.048 -11.004 1.00 0.00 H new ATOM 982 N ARG A 68 -5.039 6.451 -8.429 1.00 0.00 N ATOM 983 CA ARG A 68 -5.338 5.272 -7.624 1.00 0.00 C ATOM 984 C ARG A 68 -5.249 3.998 -8.459 1.00 0.00 C ATOM 985 O ARG A 68 -6.267 3.454 -8.885 1.00 0.00 O ATOM 986 CB ARG A 68 -6.730 5.391 -7.004 1.00 0.00 C ATOM 987 CG ARG A 68 -7.840 5.562 -8.031 1.00 0.00 C ATOM 988 CD ARG A 68 -8.464 6.947 -7.956 1.00 0.00 C ATOM 989 NE ARG A 68 -8.923 7.268 -6.607 1.00 0.00 N ATOM 990 CZ ARG A 68 -9.683 8.320 -6.313 1.00 0.00 C ATOM 991 NH1 ARG A 68 -10.073 9.156 -7.269 1.00 0.00 N ATOM 992 NH2 ARG A 68 -10.055 8.538 -5.060 1.00 0.00 N ATOM 0 H ARG A 68 -5.839 7.061 -8.599 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.595 5.213 -6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.931 4.500 -6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.743 6.241 -6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.440 5.396 -9.031 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.608 4.807 -7.866 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.735 7.691 -8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.304 7.004 -8.648 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.645 6.649 -5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.790 8.993 -8.235 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.656 9.960 -7.037 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.759 7.900 -4.322 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.638 9.344 -4.834 1.00 0.00 H new ATOM 1006 N LYS A 69 -4.022 3.527 -8.683 1.00 0.00 N ATOM 1007 CA LYS A 69 -3.775 2.312 -9.463 1.00 0.00 C ATOM 1008 C LYS A 69 -4.647 2.261 -10.719 1.00 0.00 C ATOM 1009 O LYS A 69 -5.283 3.250 -11.083 1.00 0.00 O ATOM 1010 CB LYS A 69 -3.991 1.055 -8.603 1.00 0.00 C ATOM 1011 CG LYS A 69 -5.281 1.049 -7.791 1.00 0.00 C ATOM 1012 CD LYS A 69 -6.484 0.676 -8.641 1.00 0.00 C ATOM 1013 CE LYS A 69 -6.404 -0.765 -9.119 1.00 0.00 C ATOM 1014 NZ LYS A 69 -7.739 -1.424 -9.126 1.00 0.00 N ATOM 0 H LYS A 69 -3.175 3.973 -8.331 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.734 2.337 -9.784 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.984 0.181 -9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.148 0.950 -7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.187 0.343 -6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.438 2.034 -7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.397 0.818 -8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.544 1.343 -9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.981 -0.791 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.727 -1.324 -8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.640 -2.405 -9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.132 -1.422 -8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.379 -0.906 -9.762 1.00 0.00 H new ATOM 1028 N ARG A 70 -4.664 1.105 -11.381 1.00 0.00 N ATOM 1029 CA ARG A 70 -5.447 0.918 -12.600 1.00 0.00 C ATOM 1030 C ARG A 70 -4.753 1.569 -13.797 1.00 0.00 C ATOM 1031 O ARG A 70 -4.064 2.579 -13.651 1.00 0.00 O ATOM 1032 CB ARG A 70 -6.872 1.474 -12.421 1.00 0.00 C ATOM 1033 CG ARG A 70 -7.112 2.826 -13.082 1.00 0.00 C ATOM 1034 CD ARG A 70 -8.228 3.594 -12.391 1.00 0.00 C ATOM 1035 NE ARG A 70 -8.976 4.431 -13.326 1.00 0.00 N ATOM 1036 CZ ARG A 70 -8.470 5.505 -13.927 1.00 0.00 C ATOM 1037 NH1 ARG A 70 -7.217 5.876 -13.695 1.00 0.00 N ATOM 1038 NH2 ARG A 70 -9.219 6.211 -14.764 1.00 0.00 N ATOM 0 H ARG A 70 -4.140 0.279 -11.090 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.522 -0.152 -12.796 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.583 0.754 -12.827 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.082 1.563 -11.355 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.194 3.413 -13.055 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.366 2.679 -14.132 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.908 2.891 -11.910 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.805 4.218 -11.604 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.943 4.177 -13.530 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.636 5.337 -13.053 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.835 6.700 -14.159 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.183 5.931 -14.947 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.831 7.034 -15.225 1.00 0.00 H new ATOM 1052 N PRO A 71 -4.926 0.996 -15.000 1.00 0.00 N ATOM 1053 CA PRO A 71 -4.313 1.524 -16.223 1.00 0.00 C ATOM 1054 C PRO A 71 -4.600 3.009 -16.418 1.00 0.00 C ATOM 1055 O PRO A 71 -3.697 3.728 -16.896 1.00 0.00 O ATOM 1056 CB PRO A 71 -4.968 0.702 -17.334 1.00 0.00 C ATOM 1057 CG PRO A 71 -5.369 -0.572 -16.676 1.00 0.00 C ATOM 1058 CD PRO A 71 -5.732 -0.212 -15.263 1.00 0.00 C ATOM 1059 OXT PRO A 71 -5.725 3.442 -16.091 1.00 0.00 O ATOM 0 HA PRO A 71 -3.226 1.444 -16.202 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.831 1.220 -17.753 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.274 0.522 -18.155 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.214 -1.028 -17.192 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.554 -1.295 -16.697 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.799 -0.013 -15.160 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.489 -1.016 -14.568 1.00 0.00 H new ATOM 1068 N TYR B 181 -26.844 -2.480 6.355 1.00 0.00 N ATOM 1069 CA TYR B 181 -27.426 -3.813 6.047 1.00 0.00 C ATOM 1070 C TYR B 181 -26.713 -4.465 4.865 1.00 0.00 C ATOM 1071 O TYR B 181 -25.599 -4.079 4.511 1.00 0.00 O ATOM 1072 CB TYR B 181 -28.915 -3.632 5.743 1.00 0.00 C ATOM 1073 CG TYR B 181 -29.811 -4.561 6.531 1.00 0.00 C ATOM 1074 CD1 TYR B 181 -29.604 -4.772 7.889 1.00 0.00 C ATOM 1075 CD2 TYR B 181 -30.864 -5.228 5.918 1.00 0.00 C ATOM 1076 CE1 TYR B 181 -30.420 -5.621 8.613 1.00 0.00 C ATOM 1077 CE2 TYR B 181 -31.685 -6.078 6.635 1.00 0.00 C ATOM 1078 CZ TYR B 181 -31.459 -6.271 7.981 1.00 0.00 C ATOM 1079 OH TYR B 181 -32.273 -7.117 8.698 1.00 0.00 O ATOM 0 HA TYR B 181 -27.298 -4.472 6.906 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -29.198 -2.601 5.955 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -29.082 -3.796 4.678 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -28.792 -4.264 8.387 1.00 0.00 H new ATOM 0 HD2 TYR B 181 -31.044 -5.080 4.863 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -30.245 -5.774 9.668 1.00 0.00 H new ATOM 0 HE2 TYR B 181 -32.500 -6.588 6.143 1.00 0.00 H new ATOM 0 HH TYR B 181 -32.956 -7.494 8.105 1.00 0.00 H new ATOM 1091 N ARG B 182 -27.361 -5.456 4.259 1.00 0.00 N ATOM 1092 CA ARG B 182 -26.787 -6.163 3.117 1.00 0.00 C ATOM 1093 C ARG B 182 -26.390 -5.189 2.011 1.00 0.00 C ATOM 1094 O ARG B 182 -27.199 -4.855 1.144 1.00 0.00 O ATOM 1095 CB ARG B 182 -27.783 -7.190 2.573 1.00 0.00 C ATOM 1096 CG ARG B 182 -28.443 -8.031 3.656 1.00 0.00 C ATOM 1097 CD ARG B 182 -28.226 -9.518 3.421 1.00 0.00 C ATOM 1098 NE ARG B 182 -28.437 -9.890 2.024 1.00 0.00 N ATOM 1099 CZ ARG B 182 -29.638 -10.032 1.468 1.00 0.00 C ATOM 1100 NH1 ARG B 182 -30.737 -9.836 2.187 1.00 0.00 N ATOM 1101 NH2 ARG B 182 -29.741 -10.371 0.190 1.00 0.00 N ATOM 0 H ARG B 182 -28.284 -5.788 4.539 1.00 0.00 H new ATOM 0 HA ARG B 182 -25.890 -6.680 3.458 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -28.556 -6.670 2.007 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -27.267 -7.850 1.876 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -28.039 -7.753 4.630 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -29.512 -7.818 3.682 1.00 0.00 H new ATOM 0 HD2 ARG B 182 -27.213 -9.787 3.718 1.00 0.00 H new ATOM 0 HD3 ARG B 182 -28.906 -10.088 4.054 1.00 0.00 H new ATOM 0 HE ARG B 182 -27.616 -10.050 1.441 1.00 0.00 H new ATOM 0 HH11 ARG B 182 -30.663 -9.575 3.170 1.00 0.00 H new ATOM 0 HH12 ARG B 182 -31.655 -9.946 1.756 1.00 0.00 H new ATOM 0 HH21 ARG B 182 -28.900 -10.523 -0.367 1.00 0.00 H new ATOM 0 HH22 ARG B 182 -30.661 -10.480 -0.236 1.00 0.00 H new ATOM 1115 N GLY B 183 -25.141 -4.737 2.047 1.00 0.00 N ATOM 1116 CA GLY B 183 -24.658 -3.807 1.043 1.00 0.00 C ATOM 1117 C GLY B 183 -24.051 -4.509 -0.156 1.00 0.00 C ATOM 1118 O GLY B 183 -24.649 -5.428 -0.715 1.00 0.00 O ATOM 0 H GLY B 183 -24.454 -4.998 2.754 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -25.482 -3.176 0.711 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -23.913 -3.149 1.490 1.00 0.00 H new ATOM 1122 N TRP B 184 -22.857 -4.075 -0.551 1.00 0.00 N ATOM 1123 CA TRP B 184 -22.165 -4.667 -1.691 1.00 0.00 C ATOM 1124 C TRP B 184 -20.723 -5.007 -1.329 1.00 0.00 C ATOM 1125 O TRP B 184 -20.246 -4.657 -0.249 1.00 0.00 O ATOM 1126 CB TRP B 184 -22.193 -3.712 -2.888 1.00 0.00 C ATOM 1127 CG TRP B 184 -21.913 -2.285 -2.522 1.00 0.00 C ATOM 1128 CD1 TRP B 184 -20.711 -1.752 -2.153 1.00 0.00 C ATOM 1129 CD2 TRP B 184 -22.856 -1.207 -2.490 1.00 0.00 C ATOM 1130 NE1 TRP B 184 -20.849 -0.410 -1.893 1.00 0.00 N ATOM 1131 CE2 TRP B 184 -22.157 -0.051 -2.093 1.00 0.00 C ATOM 1132 CE3 TRP B 184 -24.224 -1.106 -2.759 1.00 0.00 C ATOM 1133 CZ2 TRP B 184 -22.780 1.187 -1.958 1.00 0.00 C ATOM 1134 CZ3 TRP B 184 -24.841 0.124 -2.625 1.00 0.00 C ATOM 1135 CH2 TRP B 184 -24.119 1.256 -2.228 1.00 0.00 C ATOM 0 H TRP B 184 -22.349 -3.315 -0.098 1.00 0.00 H new ATOM 0 HA TRP B 184 -22.682 -5.588 -1.962 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -21.458 -4.041 -3.622 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -23.170 -3.771 -3.367 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -19.786 -2.305 -2.077 1.00 0.00 H new ATOM 0 HE1 TRP B 184 -20.100 0.217 -1.599 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -24.789 -1.974 -3.066 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 -22.226 2.062 -1.651 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 -25.898 0.213 -2.830 1.00 0.00 H new ATOM 0 HH2 TRP B 184 -24.630 2.203 -2.133 1.00 0.00 H new ATOM 1146 N LYS B 185 -20.031 -5.692 -2.236 1.00 0.00 N ATOM 1147 CA LYS B 185 -18.643 -6.076 -2.005 1.00 0.00 C ATOM 1148 C LYS B 185 -17.721 -4.864 -2.107 1.00 0.00 C ATOM 1149 O LYS B 185 -17.741 -4.138 -3.101 1.00 0.00 O ATOM 1150 CB LYS B 185 -18.221 -7.174 -2.998 1.00 0.00 C ATOM 1151 CG LYS B 185 -17.503 -6.669 -4.245 1.00 0.00 C ATOM 1152 CD LYS B 185 -18.414 -5.817 -5.114 1.00 0.00 C ATOM 1153 CE LYS B 185 -17.644 -4.690 -5.785 1.00 0.00 C ATOM 1154 NZ LYS B 185 -17.262 -5.030 -7.183 1.00 0.00 N ATOM 0 H LYS B 185 -20.408 -5.991 -3.135 1.00 0.00 H new ATOM 0 HA LYS B 185 -18.558 -6.476 -0.994 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -17.570 -7.880 -2.482 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -19.109 -7.726 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -16.631 -6.085 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -17.138 -7.518 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -18.884 -6.442 -5.874 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -19.215 -5.400 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -18.252 -3.785 -5.785 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -16.746 -4.470 -5.207 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -16.739 -4.235 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -16.660 -5.878 -7.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -18.119 -5.215 -7.742 1.00 0.00 H new ATOM 1168 N HIS B 186 -16.917 -4.647 -1.073 1.00 0.00 N ATOM 1169 CA HIS B 186 -15.994 -3.521 -1.053 1.00 0.00 C ATOM 1170 C HIS B 186 -14.876 -3.746 -0.040 1.00 0.00 C ATOM 1171 O HIS B 186 -14.987 -3.347 1.119 1.00 0.00 O ATOM 1172 CB HIS B 186 -16.743 -2.226 -0.729 1.00 0.00 C ATOM 1173 CG HIS B 186 -17.428 -2.247 0.603 1.00 0.00 C ATOM 1174 ND1 HIS B 186 -18.325 -3.227 0.972 1.00 0.00 N ATOM 1175 CD2 HIS B 186 -17.343 -1.400 1.657 1.00 0.00 C ATOM 1176 CE1 HIS B 186 -18.763 -2.982 2.194 1.00 0.00 C ATOM 1177 NE2 HIS B 186 -18.183 -1.880 2.632 1.00 0.00 N ATOM 0 H HIS B 186 -16.886 -5.235 -0.240 1.00 0.00 H new ATOM 0 HA HIS B 186 -15.546 -3.435 -2.043 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -16.040 -1.393 -0.754 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -17.484 -2.040 -1.506 1.00 0.00 H new ATOM 0 HD1 HIS B 186 -18.606 -4.018 0.392 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -16.730 -0.513 1.719 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -19.475 -3.582 2.742 1.00 0.00 H new ATOM 1186 N TRP B 187 -13.796 -4.381 -0.485 1.00 0.00 N ATOM 1187 CA TRP B 187 -12.659 -4.646 0.390 1.00 0.00 C ATOM 1188 C TRP B 187 -11.650 -3.498 0.341 1.00 0.00 C ATOM 1189 O TRP B 187 -10.554 -3.597 0.890 1.00 0.00 O ATOM 1190 CB TRP B 187 -11.989 -5.970 0.014 1.00 0.00 C ATOM 1191 CG TRP B 187 -12.253 -7.063 1.008 1.00 0.00 C ATOM 1192 CD1 TRP B 187 -12.109 -6.989 2.364 1.00 0.00 C ATOM 1193 CD2 TRP B 187 -12.706 -8.391 0.724 1.00 0.00 C ATOM 1194 NE1 TRP B 187 -12.444 -8.191 2.940 1.00 0.00 N ATOM 1195 CE2 TRP B 187 -12.814 -9.068 1.954 1.00 0.00 C ATOM 1196 CE3 TRP B 187 -13.032 -9.075 -0.451 1.00 0.00 C ATOM 1197 CZ2 TRP B 187 -13.234 -10.394 2.041 1.00 0.00 C ATOM 1198 CZ3 TRP B 187 -13.448 -10.391 -0.363 1.00 0.00 C ATOM 1199 CH2 TRP B 187 -13.546 -11.038 0.875 1.00 0.00 C ATOM 0 H TRP B 187 -13.684 -4.720 -1.441 1.00 0.00 H new ATOM 0 HA TRP B 187 -13.030 -4.725 1.412 1.00 0.00 H new ATOM 0 HB2 TRP B 187 -12.344 -6.285 -0.967 1.00 0.00 H new ATOM 0 HB3 TRP B 187 -10.913 -5.815 -0.071 1.00 0.00 H new ATOM 0 HD1 TRP B 187 -11.780 -6.114 2.905 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -12.421 -8.397 3.939 1.00 0.00 H new ATOM 0 HE3 TRP B 187 -12.960 -8.584 -1.410 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 -13.310 -10.895 2.995 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 -13.702 -10.929 -1.265 1.00 0.00 H new ATOM 0 HH2 TRP B 187 -13.875 -12.066 0.910 1.00 0.00 H new ATOM 1210 N VAL B 188 -12.044 -2.399 -0.301 1.00 0.00 N ATOM 1211 CA VAL B 188 -11.202 -1.213 -0.402 1.00 0.00 C ATOM 1212 C VAL B 188 -9.806 -1.539 -0.952 1.00 0.00 C ATOM 1213 O VAL B 188 -9.681 -2.255 -1.946 1.00 0.00 O ATOM 1214 CB VAL B 188 -11.084 -0.515 0.966 1.00 0.00 C ATOM 1215 CG1 VAL B 188 -10.757 0.956 0.786 1.00 0.00 C ATOM 1216 CG2 VAL B 188 -12.362 -0.686 1.770 1.00 0.00 C ATOM 0 H VAL B 188 -12.949 -2.308 -0.762 1.00 0.00 H new ATOM 0 HA VAL B 188 -11.684 -0.537 -1.109 1.00 0.00 H new ATOM 0 HB VAL B 188 -10.270 -0.983 1.520 1.00 0.00 H new ATOM 0 HG11 VAL B 188 -10.677 1.433 1.763 1.00 0.00 H new ATOM 0 HG12 VAL B 188 -9.810 1.056 0.255 1.00 0.00 H new ATOM 0 HG13 VAL B 188 -11.548 1.437 0.211 1.00 0.00 H new ATOM 0 HG21 VAL B 188 -12.256 -0.185 2.732 1.00 0.00 H new ATOM 0 HG22 VAL B 188 -13.197 -0.248 1.223 1.00 0.00 H new ATOM 0 HG23 VAL B 188 -12.551 -1.747 1.932 1.00 0.00 H new ATOM 1226 N TYR B 189 -8.760 -0.997 -0.314 1.00 0.00 N ATOM 1227 CA TYR B 189 -7.388 -1.215 -0.747 1.00 0.00 C ATOM 1228 C TYR B 189 -7.048 -0.317 -1.935 1.00 0.00 C ATOM 1229 O TYR B 189 -7.533 -0.530 -3.047 1.00 0.00 O ATOM 1230 CB TYR B 189 -7.146 -2.687 -1.100 1.00 0.00 C ATOM 1231 CG TYR B 189 -5.694 -3.106 -1.000 1.00 0.00 C ATOM 1232 CD1 TYR B 189 -4.675 -2.159 -0.993 1.00 0.00 C ATOM 1233 CD2 TYR B 189 -5.337 -4.446 -0.922 1.00 0.00 C ATOM 1234 CE1 TYR B 189 -3.353 -2.531 -0.913 1.00 0.00 C ATOM 1235 CE2 TYR B 189 -4.015 -4.824 -0.841 1.00 0.00 C ATOM 1236 CZ TYR B 189 -3.025 -3.866 -0.837 1.00 0.00 C ATOM 1237 OH TYR B 189 -1.704 -4.244 -0.755 1.00 0.00 O ATOM 0 H TYR B 189 -8.847 -0.401 0.509 1.00 0.00 H new ATOM 0 HA TYR B 189 -6.731 -0.955 0.083 1.00 0.00 H new ATOM 0 HB2 TYR B 189 -7.742 -3.313 -0.437 1.00 0.00 H new ATOM 0 HB3 TYR B 189 -7.499 -2.871 -2.115 1.00 0.00 H new ATOM 0 HD1 TYR B 189 -4.927 -1.110 -1.052 1.00 0.00 H new ATOM 0 HD2 TYR B 189 -6.107 -5.203 -0.925 1.00 0.00 H new ATOM 0 HE1 TYR B 189 -2.577 -1.780 -0.910 1.00 0.00 H new ATOM 0 HE2 TYR B 189 -3.755 -5.870 -0.781 1.00 0.00 H new ATOM 0 HH TYR B 189 -1.228 -3.947 -1.558 1.00 0.00 H new ATOM 1247 N TYR B 190 -6.206 0.690 -1.676 1.00 0.00 N ATOM 1248 CA TYR B 190 -5.765 1.649 -2.696 1.00 0.00 C ATOM 1249 C TYR B 190 -6.711 2.838 -2.813 1.00 0.00 C ATOM 1250 O TYR B 190 -6.667 3.577 -3.795 1.00 0.00 O ATOM 1251 CB TYR B 190 -5.601 0.978 -4.052 1.00 0.00 C ATOM 1252 CG TYR B 190 -4.317 1.365 -4.749 1.00 0.00 C ATOM 1253 CD1 TYR B 190 -4.177 2.615 -5.339 1.00 0.00 C ATOM 1254 CD2 TYR B 190 -3.240 0.491 -4.802 1.00 0.00 C ATOM 1255 CE1 TYR B 190 -3.002 2.981 -5.966 1.00 0.00 C ATOM 1256 CE2 TYR B 190 -2.060 0.851 -5.425 1.00 0.00 C ATOM 1257 CZ TYR B 190 -1.946 2.096 -6.005 1.00 0.00 C ATOM 1258 OH TYR B 190 -0.772 2.457 -6.625 1.00 0.00 O ATOM 0 H TYR B 190 -5.810 0.863 -0.752 1.00 0.00 H new ATOM 0 HA TYR B 190 -4.795 2.024 -2.370 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -5.626 -0.104 -3.922 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -6.447 1.242 -4.687 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -5.001 3.312 -5.307 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -3.325 -0.486 -4.349 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -2.911 3.955 -6.423 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -1.231 0.160 -5.457 1.00 0.00 H new ATOM 0 HH TYR B 190 -0.129 1.720 -6.562 1.00 0.00 H new ATOM 1268 N THR B 191 -7.543 3.020 -1.794 1.00 0.00 N ATOM 1269 CA THR B 191 -8.501 4.135 -1.734 1.00 0.00 C ATOM 1270 C THR B 191 -9.887 3.738 -2.229 1.00 0.00 C ATOM 1271 O THR B 191 -10.032 2.891 -3.111 1.00 0.00 O ATOM 1272 CB THR B 191 -7.999 5.349 -2.526 1.00 0.00 C ATOM 1273 OG1 THR B 191 -6.614 5.552 -2.309 1.00 0.00 O ATOM 1274 CG2 THR B 191 -8.711 6.632 -2.162 1.00 0.00 C ATOM 0 H THR B 191 -7.578 2.403 -0.983 1.00 0.00 H new ATOM 0 HA THR B 191 -8.584 4.406 -0.681 1.00 0.00 H new ATOM 0 HB THR B 191 -8.205 5.119 -3.571 1.00 0.00 H new ATOM 0 HG1 THR B 191 -6.104 5.117 -3.024 1.00 0.00 H new ATOM 0 HG21 THR B 191 -8.310 7.452 -2.757 1.00 0.00 H new ATOM 0 HG22 THR B 191 -9.777 6.526 -2.362 1.00 0.00 H new ATOM 0 HG23 THR B 191 -8.560 6.844 -1.104 1.00 0.00 H new ATOM 1282 N CYS B 192 -10.901 4.379 -1.643 1.00 0.00 N ATOM 1283 CA CYS B 192 -12.306 4.141 -1.986 1.00 0.00 C ATOM 1284 C CYS B 192 -13.197 4.416 -0.808 1.00 0.00 C ATOM 1285 O CYS B 192 -14.152 5.190 -0.869 1.00 0.00 O ATOM 1286 CB CYS B 192 -12.581 2.670 -2.363 1.00 0.00 C ATOM 1287 SG CYS B 192 -14.293 2.098 -1.946 1.00 0.00 S ATOM 0 H CYS B 192 -10.771 5.081 -0.914 1.00 0.00 H new ATOM 0 HA CYS B 192 -12.510 4.802 -2.828 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -12.416 2.542 -3.433 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -11.860 2.033 -1.851 1.00 0.00 H new ATOM 1292 N CYS B 193 -12.931 3.640 0.215 1.00 0.00 N ATOM 1293 CA CYS B 193 -13.743 3.620 1.393 1.00 0.00 C ATOM 1294 C CYS B 193 -12.906 3.290 2.633 1.00 0.00 C ATOM 1295 O CYS B 193 -12.049 2.411 2.589 1.00 0.00 O ATOM 1296 CB CYS B 193 -14.786 2.531 1.129 1.00 0.00 C ATOM 1297 SG CYS B 193 -14.212 1.249 -0.075 1.00 0.00 S ATOM 0 H CYS B 193 -12.136 3.001 0.247 1.00 0.00 H new ATOM 0 HA CYS B 193 -14.202 4.589 1.591 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -15.042 2.046 2.071 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -15.697 2.994 0.750 1.00 0.00 H new ATOM 1302 N PRO B 194 -13.128 3.992 3.759 1.00 0.00 N ATOM 1303 CA PRO B 194 -12.370 3.759 4.998 1.00 0.00 C ATOM 1304 C PRO B 194 -12.675 2.409 5.657 1.00 0.00 C ATOM 1305 O PRO B 194 -12.878 2.340 6.869 1.00 0.00 O ATOM 1306 CB PRO B 194 -12.816 4.905 5.921 1.00 0.00 C ATOM 1307 CG PRO B 194 -13.527 5.879 5.040 1.00 0.00 C ATOM 1308 CD PRO B 194 -14.112 5.071 3.919 1.00 0.00 C ATOM 0 HA PRO B 194 -11.299 3.734 4.798 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -13.473 4.539 6.710 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -11.960 5.371 6.409 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -14.307 6.406 5.590 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -12.840 6.635 4.659 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -15.100 4.685 4.169 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -14.221 5.660 3.008 1.00 0.00 H new ATOM 1316 N ASP B 195 -12.702 1.336 4.864 1.00 0.00 N ATOM 1317 CA ASP B 195 -12.976 0.003 5.397 1.00 0.00 C ATOM 1318 C ASP B 195 -11.690 -0.730 5.796 1.00 0.00 C ATOM 1319 O ASP B 195 -11.577 -1.225 6.917 1.00 0.00 O ATOM 1320 CB ASP B 195 -13.766 -0.828 4.385 1.00 0.00 C ATOM 1321 CG ASP B 195 -15.060 -1.365 4.964 1.00 0.00 C ATOM 1322 OD1 ASP B 195 -16.003 -0.568 5.150 1.00 0.00 O ATOM 1323 OD2 ASP B 195 -15.131 -2.584 5.230 1.00 0.00 O ATOM 0 H ASP B 195 -12.539 1.365 3.858 1.00 0.00 H new ATOM 0 HA ASP B 195 -13.576 0.132 6.298 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -13.988 -0.216 3.511 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -13.151 -1.660 4.043 1.00 0.00 H new ATOM 1328 N THR B 196 -10.728 -0.813 4.871 1.00 0.00 N ATOM 1329 CA THR B 196 -9.470 -1.506 5.142 1.00 0.00 C ATOM 1330 C THR B 196 -8.725 -0.905 6.340 1.00 0.00 C ATOM 1331 O THR B 196 -8.128 -1.641 7.126 1.00 0.00 O ATOM 1332 CB THR B 196 -8.574 -1.513 3.899 1.00 0.00 C ATOM 1333 OG1 THR B 196 -8.547 -0.243 3.278 1.00 0.00 O ATOM 1334 CG2 THR B 196 -9.011 -2.523 2.859 1.00 0.00 C ATOM 0 H THR B 196 -10.798 -0.411 3.936 1.00 0.00 H new ATOM 0 HA THR B 196 -9.721 -2.535 5.399 1.00 0.00 H new ATOM 0 HB THR B 196 -7.584 -1.786 4.264 1.00 0.00 H new ATOM 0 HG1 THR B 196 -8.264 -0.341 2.345 1.00 0.00 H new ATOM 0 HG21 THR B 196 -8.337 -2.479 2.004 1.00 0.00 H new ATOM 0 HG22 THR B 196 -8.985 -3.524 3.290 1.00 0.00 H new ATOM 0 HG23 THR B 196 -10.026 -2.294 2.533 1.00 0.00 H new ATOM 1342 N PRO B 197 -8.746 0.433 6.515 1.00 0.00 N ATOM 1343 CA PRO B 197 -8.063 1.079 7.641 1.00 0.00 C ATOM 1344 C PRO B 197 -8.483 0.487 8.982 1.00 0.00 C ATOM 1345 O PRO B 197 -7.651 0.257 9.859 1.00 0.00 O ATOM 1346 CB PRO B 197 -8.506 2.541 7.545 1.00 0.00 C ATOM 1347 CG PRO B 197 -8.877 2.734 6.117 1.00 0.00 C ATOM 1348 CD PRO B 197 -9.428 1.414 5.651 1.00 0.00 C ATOM 0 HA PRO B 197 -6.982 0.946 7.590 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -9.351 2.742 8.204 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -7.704 3.217 7.840 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -9.618 3.526 6.010 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -8.010 3.026 5.524 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -10.511 1.367 5.767 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -9.213 1.239 4.597 1.00 0.00 H new ATOM 1356 N TYR B 198 -9.781 0.243 9.131 1.00 0.00 N ATOM 1357 CA TYR B 198 -10.317 -0.322 10.364 1.00 0.00 C ATOM 1358 C TYR B 198 -10.448 -1.838 10.257 1.00 0.00 C ATOM 1359 O TYR B 198 -9.625 -2.547 10.873 1.00 0.00 O ATOM 1360 CB TYR B 198 -11.680 0.297 10.681 1.00 0.00 C ATOM 1361 CG TYR B 198 -11.973 0.392 12.161 1.00 0.00 C ATOM 1362 CD1 TYR B 198 -11.685 -0.666 13.015 1.00 0.00 C ATOM 1363 CD2 TYR B 198 -12.539 1.538 12.704 1.00 0.00 C ATOM 1364 CE1 TYR B 198 -11.953 -0.583 14.368 1.00 0.00 C ATOM 1365 CE2 TYR B 198 -12.809 1.629 14.057 1.00 0.00 C ATOM 1366 CZ TYR B 198 -12.515 0.565 14.884 1.00 0.00 C ATOM 1367 OH TYR B 198 -12.782 0.652 16.230 1.00 0.00 O ATOM 0 H TYR B 198 -10.481 0.428 8.413 1.00 0.00 H new ATOM 0 HA TYR B 198 -9.622 -0.092 11.172 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -11.726 1.295 10.245 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -12.459 -0.296 10.202 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -11.245 -1.567 12.615 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -12.772 2.372 12.059 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -11.723 -1.414 15.018 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -13.248 2.528 14.464 1.00 0.00 H new ATOM 0 HH TYR B 198 -13.176 1.527 16.430 1.00 0.00 H new