USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 SER OG : rot 180:sc= -0.0568 USER MOD Single : A 173 THR OG1 : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 ASN : amide:sc= -8.42! C(o=-8.4!,f=-7.6!) USER MOD Single : A 191 TYR OH : rot 180:sc= -0.695 USER MOD Single : A 193 TYR OH : rot -3:sc= -3.74! USER MOD Single : A 194 ASN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 SER OG : rot 180:sc= 0 USER MOD Single : A 198 LYS NZ :NH3+ -178:sc= 0.419 (180deg=0.406) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 207 SER OG : rot 75:sc= -0.179 USER MOD Single : A 209 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.062) USER MOD Single : A 210 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 213 GLN : amide:sc= -4.2 K(o=-4.2,f=-3.5) USER MOD Single : A 217 ASN : amide:sc= -7.04! C(o=-7!,f=-13!) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 223 THR OG1 : rot 98:sc= 0.318 USER MOD Single : A 225 TYR OH : rot 180:sc= -0.203 USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.055) USER MOD Single : A 238 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.11) USER MOD Single : A 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 SER OG : rot 180:sc= -0.165 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 160 16.479 8.388 -10.697 -0.36 0.02 N ATOM 26 CA ASP A 160 17.385 9.165 -9.857 1.00 0.01 C ATOM 27 C ASP A 160 18.373 8.251 -9.136 0.48 0.02 C ATOM 28 O ASP A 160 19.520 8.103 -9.559 -0.48 0.02 O ATOM 29 CB ASP A 160 16.596 9.998 -8.837 -0.45 0.01 C ATOM 30 CG ASP A 160 15.256 9.379 -8.477 0.49 0.01 C ATOM 31 OD1 ASP A 160 15.249 8.309 -7.831 -0.62 0.01 O ATOM 32 OD2 ASP A 160 14.215 9.965 -8.842 -0.62 0.01 O ATOM 0 HA ASP A 160 17.946 9.841 -10.502 1.00 0.01 H new ATOM 0 HB2 ASP A 160 17.192 10.114 -7.932 -0.45 0.01 H new ATOM 0 HB3 ASP A 160 16.432 10.997 -9.241 -0.45 0.01 H new ATOM 37 N VAL A 161 17.919 7.637 -8.049 -0.36 0.01 N ATOM 38 CA VAL A 161 18.754 6.733 -7.270 1.00 0.01 C ATOM 39 C VAL A 161 17.909 5.621 -6.661 0.48 0.01 C ATOM 40 O VAL A 161 16.785 5.865 -6.213 -0.48 0.01 O ATOM 41 CB VAL A 161 19.501 7.480 -6.147 -0.10 0.01 C ATOM 42 CG1 VAL A 161 18.516 8.121 -5.181 -0.30 0.02 C ATOM 43 CG2 VAL A 161 20.445 6.539 -5.413 -0.30 0.02 C ATOM 0 H VAL A 161 16.972 7.750 -7.687 -0.36 0.01 H new ATOM 0 HA VAL A 161 19.490 6.303 -7.949 1.00 0.01 H new ATOM 0 HB VAL A 161 20.096 8.273 -6.600 -0.10 0.01 H new ATOM 0 HG11 VAL A 161 19.063 8.643 -4.396 -0.30 0.02 H new ATOM 0 HG12 VAL A 161 17.888 8.831 -5.719 -0.30 0.02 H new ATOM 0 HG13 VAL A 161 17.890 7.349 -4.734 -0.30 0.02 H new ATOM 0 HG21 VAL A 161 20.963 7.085 -4.624 -0.30 0.02 H new ATOM 0 HG22 VAL A 161 19.874 5.721 -4.973 -0.30 0.02 H new ATOM 0 HG23 VAL A 161 21.175 6.136 -6.115 -0.30 0.02 H new ATOM 53 N ASP A 162 18.449 4.400 -6.658 -0.36 0.01 N ATOM 54 CA ASP A 162 17.737 3.245 -6.113 1.00 0.01 C ATOM 55 C ASP A 162 16.314 3.194 -6.658 0.48 0.01 C ATOM 56 O ASP A 162 15.470 4.007 -6.283 -0.48 0.02 O ATOM 57 CB ASP A 162 17.715 3.307 -4.586 -0.45 0.01 C ATOM 58 CG ASP A 162 19.033 2.880 -3.970 0.49 0.02 C ATOM 59 OD1 ASP A 162 19.805 2.174 -4.652 -0.62 0.02 O ATOM 60 OD2 ASP A 162 19.292 3.250 -2.806 -0.62 0.02 O ATOM 0 H ASP A 162 19.376 4.187 -7.027 -0.36 0.01 H new ATOM 0 HA ASP A 162 18.261 2.339 -6.419 1.00 0.01 H new ATOM 0 HB2 ASP A 162 17.482 4.324 -4.270 -0.45 0.01 H new ATOM 0 HB3 ASP A 162 16.917 2.666 -4.211 -0.45 0.01 H new ATOM 65 N GLU A 163 16.044 2.248 -7.550 -0.36 0.02 N ATOM 66 CA GLU A 163 14.718 2.139 -8.132 1.00 0.02 C ATOM 67 C GLU A 163 14.029 0.863 -7.682 0.48 0.02 C ATOM 68 O GLU A 163 12.835 0.854 -7.386 -0.48 0.02 O ATOM 69 CB GLU A 163 14.802 2.187 -9.658 -0.20 0.01 C ATOM 70 CG GLU A 163 15.594 3.374 -10.182 -0.45 0.01 C ATOM 71 CD GLU A 163 15.017 4.706 -9.738 0.49 0.01 C ATOM 72 OE1 GLU A 163 14.944 4.946 -8.513 -0.62 0.01 O ATOM 73 OE2 GLU A 163 14.639 5.510 -10.616 -0.62 0.01 O ATOM 0 H GLU A 163 16.717 1.556 -7.880 -0.36 0.02 H new ATOM 0 HA GLU A 163 14.125 2.985 -7.785 1.00 0.02 H new ATOM 0 HB2 GLU A 163 15.261 1.266 -10.018 -0.20 0.01 H new ATOM 0 HB3 GLU A 163 13.793 2.223 -10.069 -0.20 0.01 H new ATOM 0 HG2 GLU A 163 16.626 3.297 -9.839 -0.45 0.01 H new ATOM 0 HG3 GLU A 163 15.617 3.338 -11.271 -0.45 0.01 H new ATOM 80 N CYS A 164 14.788 -0.214 -7.633 -0.36 0.02 N ATOM 81 CA CYS A 164 14.252 -1.496 -7.220 1.00 0.02 C ATOM 82 C CYS A 164 15.127 -2.139 -6.144 0.48 0.02 C ATOM 83 O CYS A 164 14.869 -3.258 -5.703 -0.48 0.02 O ATOM 84 CB CYS A 164 14.125 -2.401 -8.434 0.20 0.02 C ATOM 85 SG CYS A 164 13.027 -1.736 -9.728 -0.20 0.02 S ATOM 0 H CYS A 164 15.779 -0.227 -7.874 -0.36 0.02 H new ATOM 0 HA CYS A 164 13.265 -1.344 -6.783 1.00 0.02 H new ATOM 0 HB2 CYS A 164 15.115 -2.566 -8.859 0.20 0.02 H new ATOM 0 HB3 CYS A 164 13.749 -3.373 -8.114 0.20 0.02 H new ATOM 90 N SER A 165 16.148 -1.404 -5.711 -0.36 0.02 N ATOM 91 CA SER A 165 17.054 -1.867 -4.671 1.00 0.02 C ATOM 92 C SER A 165 17.136 -0.819 -3.565 0.48 0.02 C ATOM 93 O SER A 165 18.126 -0.737 -2.838 -0.48 0.02 O ATOM 94 CB SER A 165 18.446 -2.129 -5.251 0.08 0.02 C ATOM 95 OG SER A 165 19.033 -3.281 -4.671 -0.68 0.02 O ATOM 0 H SER A 165 16.368 -0.475 -6.071 -0.36 0.02 H new ATOM 0 HA SER A 165 16.673 -2.801 -4.258 1.00 0.02 H new ATOM 0 HB2 SER A 165 18.375 -2.258 -6.331 0.08 0.02 H new ATOM 0 HB3 SER A 165 19.085 -1.264 -5.075 0.08 0.02 H new ATOM 0 HG SER A 165 19.921 -3.427 -5.060 -0.68 0.02 H new ATOM 101 N LEU A 166 16.081 -0.010 -3.456 -0.36 0.02 N ATOM 102 CA LEU A 166 16.017 1.049 -2.457 1.00 0.02 C ATOM 103 C LEU A 166 15.691 0.479 -1.080 0.48 0.02 C ATOM 104 O LEU A 166 16.312 0.844 -0.082 -0.48 0.02 O ATOM 105 CB LEU A 166 14.961 2.081 -2.865 -0.20 0.02 C ATOM 106 CG LEU A 166 15.309 3.538 -2.545 -0.10 0.02 C ATOM 107 CD1 LEU A 166 14.817 4.460 -3.653 -0.30 0.02 C ATOM 108 CD2 LEU A 166 14.715 3.946 -1.204 -0.30 0.02 C ATOM 0 H LEU A 166 15.256 -0.072 -4.053 -0.36 0.02 H new ATOM 0 HA LEU A 166 16.992 1.533 -2.401 1.00 0.02 H new ATOM 0 HB2 LEU A 166 14.787 1.994 -3.938 -0.20 0.02 H new ATOM 0 HB3 LEU A 166 14.023 1.832 -2.369 -0.20 0.02 H new ATOM 0 HG LEU A 166 16.393 3.628 -2.481 -0.10 0.02 H new ATOM 0 HD11 LEU A 166 15.073 5.491 -3.409 -0.30 0.02 H new ATOM 0 HD12 LEU A 166 15.290 4.182 -4.595 -0.30 0.02 H new ATOM 0 HD13 LEU A 166 13.735 4.368 -3.750 -0.30 0.02 H new ATOM 0 HD21 LEU A 166 14.972 4.984 -0.993 -0.30 0.02 H new ATOM 0 HD22 LEU A 166 13.631 3.841 -1.239 -0.30 0.02 H new ATOM 0 HD23 LEU A 166 15.116 3.306 -0.418 -0.30 0.02 H new ATOM 120 N LYS A 167 14.713 -0.420 -1.036 -0.36 0.02 N ATOM 121 CA LYS A 167 14.304 -1.045 0.217 1.00 0.02 C ATOM 122 C LYS A 167 14.092 -2.546 0.028 0.48 0.02 C ATOM 123 O LYS A 167 14.010 -3.032 -1.100 -0.48 0.02 O ATOM 124 CB LYS A 167 13.020 -0.399 0.742 -0.20 0.02 C ATOM 125 CG LYS A 167 13.006 1.116 0.624 -0.20 0.02 C ATOM 126 CD LYS A 167 11.644 1.690 0.980 -0.20 0.02 C ATOM 127 CE LYS A 167 10.812 1.965 -0.262 0.30 5.02 C ATOM 128 NZ LYS A 167 9.591 2.758 0.051 -0.81 0.02 N ATOM 0 H LYS A 167 14.189 -0.732 -1.854 -0.36 0.02 H new ATOM 0 HA LYS A 167 15.100 -0.894 0.947 1.00 0.02 H new ATOM 0 HB2 LYS A 167 12.169 -0.805 0.195 -0.20 0.02 H new ATOM 0 HB3 LYS A 167 12.887 -0.674 1.788 -0.20 0.02 H new ATOM 0 HG2 LYS A 167 13.764 1.540 1.282 -0.20 0.02 H new ATOM 0 HG3 LYS A 167 13.269 1.405 -0.393 -0.20 0.02 H new ATOM 0 HD2 LYS A 167 11.113 0.993 1.628 -0.20 0.02 H new ATOM 0 HD3 LYS A 167 11.774 2.614 1.544 -0.20 0.02 H new ATOM 0 HE2 LYS A 167 11.417 2.503 -0.992 0.30 5.02 H new ATOM 0 HE3 LYS A 167 10.523 1.020 -0.722 0.30 5.02 H new ATOM 0 HZ1 LYS A 167 9.051 2.924 -0.822 -0.81 0.02 H new ATOM 0 HZ2 LYS A 167 9.001 2.234 0.728 -0.81 0.02 H new ATOM 0 HZ3 LYS A 167 9.867 3.671 0.466 -0.81 0.02 H new ATOM 142 N PRO A 168 14.006 -3.303 1.136 -0.36 0.02 N ATOM 143 CA PRO A 168 13.810 -4.745 1.102 1.00 0.02 C ATOM 144 C PRO A 168 12.334 -5.138 1.112 0.48 0.02 C ATOM 145 O PRO A 168 11.967 -6.183 1.650 -0.48 0.02 O ATOM 146 CB PRO A 168 14.499 -5.221 2.388 -0.20 0.02 C ATOM 147 CG PRO A 168 14.697 -4.000 3.245 -0.20 0.02 C ATOM 148 CD PRO A 168 14.100 -2.823 2.514 0.06 0.02 C ATOM 0 HA PRO A 168 14.212 -5.189 0.191 1.00 0.02 H new ATOM 0 HB2 PRO A 168 13.888 -5.962 2.904 -0.20 0.02 H new ATOM 0 HB3 PRO A 168 15.454 -5.696 2.163 -0.20 0.02 H new ATOM 0 HG2 PRO A 168 14.216 -4.132 4.214 -0.20 0.02 H new ATOM 0 HG3 PRO A 168 15.757 -3.834 3.435 -0.20 0.02 H new ATOM 0 HD2 PRO A 168 13.123 -2.553 2.915 0.06 0.02 H new ATOM 0 HD3 PRO A 168 14.732 -1.938 2.591 0.06 0.02 H new ATOM 156 N SER A 169 11.492 -4.300 0.515 -0.36 0.02 N ATOM 157 CA SER A 169 10.059 -4.571 0.461 1.00 0.02 C ATOM 158 C SER A 169 9.408 -3.877 -0.734 0.48 0.02 C ATOM 159 O SER A 169 8.205 -3.614 -0.728 -0.48 0.02 O ATOM 160 CB SER A 169 9.386 -4.115 1.756 0.08 0.02 C ATOM 161 OG SER A 169 9.878 -4.841 2.870 -0.68 0.02 O ATOM 0 H SER A 169 11.776 -3.431 0.063 -0.36 0.02 H new ATOM 0 HA SER A 169 9.926 -5.647 0.344 1.00 0.02 H new ATOM 0 HB2 SER A 169 9.562 -3.050 1.906 0.08 0.02 H new ATOM 0 HB3 SER A 169 8.307 -4.251 1.677 0.08 0.02 H new ATOM 0 HG SER A 169 9.433 -4.530 3.686 -0.68 0.02 H new ATOM 167 N ILE A 170 10.205 -3.584 -1.758 -0.36 0.02 N ATOM 168 CA ILE A 170 9.697 -2.922 -2.955 1.00 0.02 C ATOM 169 C ILE A 170 9.458 -3.921 -4.079 0.48 0.02 C ATOM 170 O ILE A 170 8.367 -4.476 -4.214 -0.48 0.02 O ATOM 171 CB ILE A 170 10.677 -1.852 -3.473 -0.10 0.02 C ATOM 172 CG1 ILE A 170 10.857 -0.733 -2.442 -0.20 0.02 C ATOM 173 CG2 ILE A 170 10.223 -1.305 -4.823 -0.30 0.02 C ATOM 174 CD1 ILE A 170 11.612 0.466 -2.972 -0.30 0.02 C ATOM 0 H ILE A 170 11.203 -3.794 -1.783 -0.36 0.02 H new ATOM 0 HA ILE A 170 8.758 -2.450 -2.667 1.00 0.02 H new ATOM 0 HB ILE A 170 11.649 -2.322 -3.621 -0.10 0.02 H new ATOM 0 HG12 ILE A 170 9.876 -0.409 -2.095 -0.20 0.02 H new ATOM 0 HG13 ILE A 170 11.386 -1.131 -1.576 -0.20 0.02 H new ATOM 0 HG21 ILE A 170 10.931 -0.551 -5.167 -0.30 0.02 H new ATOM 0 HG22 ILE A 170 10.177 -2.118 -5.548 -0.30 0.02 H new ATOM 0 HG23 ILE A 170 9.236 -0.855 -4.720 -0.30 0.02 H new ATOM 0 HD11 ILE A 170 11.700 1.217 -2.187 -0.30 0.02 H new ATOM 0 HD12 ILE A 170 12.607 0.157 -3.292 -0.30 0.02 H new ATOM 0 HD13 ILE A 170 11.073 0.890 -3.820 -0.30 0.02 H new ATOM 186 N CYS A 171 10.488 -4.126 -4.895 -0.36 0.02 N ATOM 187 CA CYS A 171 10.400 -5.026 -6.014 1.00 0.02 C ATOM 188 C CYS A 171 11.789 -5.444 -6.478 0.48 0.02 C ATOM 189 O CYS A 171 12.516 -4.644 -7.056 -0.48 0.02 O ATOM 190 CB CYS A 171 9.649 -4.347 -7.159 0.20 0.02 C ATOM 191 SG CYS A 171 8.050 -5.112 -7.577 -0.20 0.02 S ATOM 0 H CYS A 171 11.395 -3.672 -4.791 -0.36 0.02 H new ATOM 0 HA CYS A 171 9.859 -5.920 -5.704 1.00 0.02 H new ATOM 0 HB2 CYS A 171 9.479 -3.303 -6.896 0.20 0.02 H new ATOM 0 HB3 CYS A 171 10.283 -4.353 -8.046 0.20 0.02 H new ATOM 196 N GLY A 172 12.149 -6.696 -6.221 -0.36 0.02 N ATOM 197 CA GLY A 172 13.455 -7.197 -6.625 -0.10 0.02 C ATOM 198 C GLY A 172 13.759 -6.920 -8.087 0.48 0.02 C ATOM 199 O GLY A 172 13.562 -7.787 -8.937 -0.48 0.02 O ATOM 0 H GLY A 172 11.561 -7.376 -5.740 -0.36 0.02 H new ATOM 0 HA2 GLY A 172 14.224 -6.738 -6.004 -0.10 0.02 H new ATOM 0 HA3 GLY A 172 13.500 -8.271 -6.445 -0.10 0.02 H new ATOM 203 N THR A 173 14.245 -5.704 -8.359 -0.36 0.02 N ATOM 204 CA THR A 173 14.596 -5.243 -9.702 1.00 0.02 C ATOM 205 C THR A 173 13.984 -6.107 -10.808 0.48 0.02 C ATOM 206 O THR A 173 14.660 -6.494 -11.761 -0.48 0.02 O ATOM 207 CB THR A 173 16.116 -5.162 -9.834 0.18 0.02 C ATOM 208 OG1 THR A 173 16.746 -5.465 -8.600 -0.68 0.02 O ATOM 209 CG2 THR A 173 16.611 -3.795 -10.276 -0.30 0.02 C ATOM 0 H THR A 173 14.407 -5.002 -7.637 -0.36 0.02 H new ATOM 0 HA THR A 173 14.169 -4.249 -9.834 1.00 0.02 H new ATOM 0 HB THR A 173 16.375 -5.892 -10.601 0.18 0.02 H new ATOM 0 HG1 THR A 173 17.719 -5.409 -8.707 -0.68 0.02 H new ATOM 0 HG21 THR A 173 17.698 -3.808 -10.349 -0.30 0.02 H new ATOM 0 HG22 THR A 173 16.185 -3.551 -11.249 -0.30 0.02 H new ATOM 0 HG23 THR A 173 16.305 -3.044 -9.547 -0.30 0.02 H new ATOM 217 N ALA A 174 12.688 -6.386 -10.670 -0.36 0.02 N ATOM 218 CA ALA A 174 11.955 -7.184 -11.648 1.00 0.02 C ATOM 219 C ALA A 174 11.486 -6.305 -12.804 0.48 0.02 C ATOM 220 O ALA A 174 12.060 -6.320 -13.893 -0.48 0.02 O ATOM 221 CB ALA A 174 10.763 -7.862 -10.974 -0.30 0.02 C ATOM 0 H ALA A 174 12.122 -6.068 -9.883 -0.36 0.02 H new ATOM 0 HA ALA A 174 12.617 -7.952 -12.048 1.00 0.02 H new ATOM 0 HB1 ALA A 174 10.219 -8.456 -11.708 -0.30 0.02 H new ATOM 0 HB2 ALA A 174 11.118 -8.511 -10.173 -0.30 0.02 H new ATOM 0 HB3 ALA A 174 10.100 -7.103 -10.559 -0.30 0.02 H new ATOM 227 N VAL A 175 10.448 -5.530 -12.535 -0.36 0.02 N ATOM 228 CA VAL A 175 9.873 -4.609 -13.506 1.00 0.02 C ATOM 229 C VAL A 175 9.164 -3.501 -12.743 0.48 0.02 C ATOM 230 O VAL A 175 7.938 -3.402 -12.746 -0.48 0.02 O ATOM 231 CB VAL A 175 8.881 -5.320 -14.452 -0.10 0.02 C ATOM 232 CG1 VAL A 175 8.114 -4.314 -15.299 -0.30 0.02 C ATOM 233 CG2 VAL A 175 9.615 -6.317 -15.337 -0.30 0.02 C ATOM 0 H VAL A 175 9.976 -5.521 -11.631 -0.36 0.02 H new ATOM 0 HA VAL A 175 10.671 -4.202 -14.127 1.00 0.02 H new ATOM 0 HB VAL A 175 8.159 -5.862 -13.841 -0.10 0.02 H new ATOM 0 HG11 VAL A 175 7.423 -4.843 -15.955 -0.30 0.02 H new ATOM 0 HG12 VAL A 175 7.554 -3.642 -14.648 -0.30 0.02 H new ATOM 0 HG13 VAL A 175 8.815 -3.735 -15.901 -0.30 0.02 H new ATOM 0 HG21 VAL A 175 8.902 -6.810 -15.998 -0.30 0.02 H new ATOM 0 HG22 VAL A 175 10.361 -5.793 -15.934 -0.30 0.02 H new ATOM 0 HG23 VAL A 175 10.108 -7.063 -14.714 -0.30 0.02 H new ATOM 243 N CYS A 176 9.955 -2.706 -12.039 -0.36 0.02 N ATOM 244 CA CYS A 176 9.423 -1.643 -11.208 1.00 0.02 C ATOM 245 C CYS A 176 9.739 -0.253 -11.745 0.48 0.02 C ATOM 246 O CYS A 176 10.803 -0.011 -12.315 -0.48 0.02 O ATOM 247 CB CYS A 176 9.973 -1.777 -9.782 0.20 0.02 C ATOM 248 SG CYS A 176 11.388 -2.922 -9.608 -0.20 0.02 S ATOM 0 H CYS A 176 10.972 -2.780 -12.028 -0.36 0.02 H new ATOM 0 HA CYS A 176 8.338 -1.750 -11.213 1.00 0.02 H new ATOM 0 HB2 CYS A 176 10.277 -0.791 -9.431 0.20 0.02 H new ATOM 0 HB3 CYS A 176 9.169 -2.114 -9.128 0.20 0.02 H new ATOM 253 N LYS A 177 8.807 0.662 -11.508 -0.36 0.02 N ATOM 254 CA LYS A 177 8.957 2.053 -11.907 1.00 0.02 C ATOM 255 C LYS A 177 9.113 2.898 -10.651 0.48 0.02 C ATOM 256 O LYS A 177 8.126 3.294 -10.029 -0.48 0.02 O ATOM 257 CB LYS A 177 7.745 2.516 -12.717 -0.20 0.02 C ATOM 258 CG LYS A 177 8.110 3.338 -13.943 -0.20 0.02 C ATOM 259 CD LYS A 177 7.204 3.015 -15.120 -0.20 0.02 C ATOM 260 CE LYS A 177 7.572 3.831 -16.347 0.30 5.02 C ATOM 261 NZ LYS A 177 8.707 3.225 -17.097 -0.81 0.02 N ATOM 0 H LYS A 177 7.927 0.459 -11.034 -0.36 0.02 H new ATOM 0 HA LYS A 177 9.838 2.162 -12.540 1.00 0.02 H new ATOM 0 HB2 LYS A 177 7.174 1.643 -13.032 -0.20 0.02 H new ATOM 0 HB3 LYS A 177 7.093 3.108 -12.074 -0.20 0.02 H new ATOM 0 HG2 LYS A 177 8.036 4.399 -13.706 -0.20 0.02 H new ATOM 0 HG3 LYS A 177 9.147 3.144 -14.217 -0.20 0.02 H new ATOM 0 HD2 LYS A 177 7.275 1.953 -15.354 -0.20 0.02 H new ATOM 0 HD3 LYS A 177 6.167 3.213 -14.848 -0.20 0.02 H new ATOM 0 HE2 LYS A 177 6.705 3.911 -17.003 0.30 5.02 H new ATOM 0 HE3 LYS A 177 7.837 4.844 -16.043 0.30 5.02 H new ATOM 0 HZ1 LYS A 177 8.927 3.812 -17.927 -0.81 0.02 H new ATOM 0 HZ2 LYS A 177 9.542 3.171 -16.479 -0.81 0.02 H new ATOM 0 HZ3 LYS A 177 8.445 2.268 -17.409 -0.81 0.02 H new ATOM 275 N ASN A 178 10.357 3.126 -10.253 -0.36 0.02 N ATOM 276 CA ASN A 178 10.643 3.876 -9.038 1.00 0.01 C ATOM 277 C ASN A 178 10.639 5.380 -9.255 0.48 0.02 C ATOM 278 O ASN A 178 10.653 5.870 -10.384 -0.48 0.02 O ATOM 279 CB ASN A 178 11.987 3.451 -8.463 -0.20 0.01 C ATOM 280 CG ASN A 178 12.079 3.696 -6.968 0.48 0.01 C ATOM 281 OD1 ASN A 178 12.553 4.743 -6.527 -0.48 0.01 O ATOM 282 ND2 ASN A 178 11.627 2.728 -6.180 -0.52 0.01 N ATOM 0 H ASN A 178 11.184 2.802 -10.754 -0.36 0.02 H new ATOM 0 HA ASN A 178 9.842 3.647 -8.336 1.00 0.01 H new ATOM 0 HB2 ASN A 178 12.148 2.392 -8.666 -0.20 0.01 H new ATOM 0 HB3 ASN A 178 12.784 3.997 -8.968 -0.20 0.01 H new ATOM 0 HD21 ASN A 178 11.665 2.836 -5.166 -0.52 0.01 H new ATOM 0 HD22 ASN A 178 11.242 1.876 -6.588 -0.52 0.01 H new ATOM 289 N ILE A 179 10.629 6.098 -8.139 -0.36 0.01 N ATOM 290 CA ILE A 179 10.632 7.549 -8.139 1.00 0.01 C ATOM 291 C ILE A 179 11.463 8.060 -6.960 0.48 0.01 C ATOM 292 O ILE A 179 11.880 7.269 -6.107 -0.48 0.01 O ATOM 293 CB ILE A 179 9.193 8.098 -8.062 -0.10 0.01 C ATOM 294 CG1 ILE A 179 8.437 7.464 -6.892 -0.20 0.02 C ATOM 295 CG2 ILE A 179 8.465 7.834 -9.372 -0.30 0.02 C ATOM 296 CD1 ILE A 179 6.964 7.814 -6.865 -0.30 5.62 C ATOM 0 H ILE A 179 10.619 5.685 -7.206 -0.36 0.01 H new ATOM 0 HA ILE A 179 11.077 7.901 -9.070 1.00 0.01 H new ATOM 0 HB ILE A 179 9.238 9.174 -7.895 -0.10 0.01 H new ATOM 0 HG12 ILE A 179 8.544 6.381 -6.945 -0.20 0.02 H new ATOM 0 HG13 ILE A 179 8.896 7.785 -5.957 -0.20 0.02 H new ATOM 0 HG21 ILE A 179 7.449 8.225 -9.309 -0.30 0.02 H new ATOM 0 HG22 ILE A 179 8.994 8.327 -10.188 -0.30 0.02 H new ATOM 0 HG23 ILE A 179 8.430 6.761 -9.559 -0.30 0.02 H new ATOM 0 HD11 ILE A 179 6.491 7.331 -6.010 -0.30 5.62 H new ATOM 0 HD12 ILE A 179 6.848 8.895 -6.781 -0.30 5.62 H new ATOM 0 HD13 ILE A 179 6.491 7.469 -7.784 -0.30 5.62 H new ATOM 308 N PRO A 180 11.740 9.377 -6.898 -0.36 0.01 N ATOM 309 CA PRO A 180 12.543 9.967 -5.823 1.00 0.01 C ATOM 310 C PRO A 180 12.272 9.358 -4.449 0.48 0.01 C ATOM 311 O PRO A 180 13.159 9.322 -3.595 -0.48 0.02 O ATOM 312 CB PRO A 180 12.124 11.432 -5.863 -0.20 0.01 C ATOM 313 CG PRO A 180 11.854 11.692 -7.305 -0.20 0.02 C ATOM 314 CD PRO A 180 11.316 10.402 -7.877 0.06 0.01 C ATOM 0 HA PRO A 180 13.609 9.797 -5.972 1.00 0.01 H new ATOM 0 HB2 PRO A 180 11.239 11.610 -5.253 -0.20 0.01 H new ATOM 0 HB3 PRO A 180 12.911 12.082 -5.481 -0.20 0.01 H new ATOM 0 HG2 PRO A 180 11.133 12.501 -7.426 -0.20 0.02 H new ATOM 0 HG3 PRO A 180 12.764 11.996 -7.822 -0.20 0.02 H new ATOM 0 HD2 PRO A 180 10.231 10.432 -7.980 0.06 0.01 H new ATOM 0 HD3 PRO A 180 11.725 10.202 -8.867 0.06 0.01 H new ATOM 322 N GLY A 181 11.053 8.880 -4.237 -0.36 0.02 N ATOM 323 CA GLY A 181 10.714 8.283 -2.956 -0.10 0.02 C ATOM 324 C GLY A 181 9.494 7.379 -3.011 0.48 0.02 C ATOM 325 O GLY A 181 8.567 7.534 -2.216 -0.48 0.02 O ATOM 0 H GLY A 181 10.297 8.893 -4.922 -0.36 0.02 H new ATOM 0 HA2 GLY A 181 11.567 7.707 -2.596 -0.10 0.02 H new ATOM 0 HA3 GLY A 181 10.536 9.077 -2.230 -0.10 0.02 H new ATOM 329 N ASP A 182 9.496 6.427 -3.939 -0.36 0.02 N ATOM 330 CA ASP A 182 8.387 5.491 -4.076 1.00 0.02 C ATOM 331 C ASP A 182 8.689 4.484 -5.176 0.48 0.02 C ATOM 332 O ASP A 182 9.803 4.443 -5.694 -0.48 0.02 O ATOM 333 CB ASP A 182 7.084 6.235 -4.374 -0.45 0.02 C ATOM 334 CG ASP A 182 6.034 6.015 -3.302 0.49 0.02 C ATOM 335 OD1 ASP A 182 5.721 4.842 -3.008 -0.62 0.02 O ATOM 336 OD2 ASP A 182 5.524 7.017 -2.757 -0.62 0.02 O ATOM 0 H ASP A 182 10.254 6.284 -4.607 -0.36 0.02 H new ATOM 0 HA ASP A 182 8.264 4.957 -3.134 1.00 0.02 H new ATOM 0 HB2 ASP A 182 7.290 7.302 -4.463 -0.45 0.02 H new ATOM 0 HB3 ASP A 182 6.692 5.905 -5.336 -0.45 0.02 H new ATOM 341 N PHE A 183 7.704 3.668 -5.531 -0.36 0.02 N ATOM 342 CA PHE A 183 7.908 2.667 -6.572 1.00 0.02 C ATOM 343 C PHE A 183 6.605 2.136 -7.156 0.48 0.02 C ATOM 344 O PHE A 183 5.526 2.297 -6.585 -0.48 0.02 O ATOM 345 CB PHE A 183 8.732 1.487 -6.027 -0.16 0.02 C ATOM 346 CG PHE A 183 7.965 0.571 -5.098 0.03 0.02 C ATOM 347 CD1 PHE A 183 6.919 -0.217 -5.567 -0.16 0.02 C ATOM 348 CD2 PHE A 183 8.286 0.509 -3.750 -0.16 0.02 C ATOM 349 CE1 PHE A 183 6.215 -1.045 -4.709 -0.15 0.02 C ATOM 350 CE2 PHE A 183 7.583 -0.312 -2.892 -0.15 0.02 C ATOM 351 CZ PHE A 183 6.549 -1.088 -3.371 -0.15 0.02 C ATOM 0 H PHE A 183 6.770 3.678 -5.121 -0.36 0.02 H new ATOM 0 HA PHE A 183 8.447 3.170 -7.375 1.00 0.02 H new ATOM 0 HB2 PHE A 183 9.108 0.902 -6.867 -0.16 0.02 H new ATOM 0 HB3 PHE A 183 9.600 1.879 -5.497 -0.16 0.02 H new ATOM 0 HD1 PHE A 183 6.653 -0.183 -6.613 -0.16 0.02 H new ATOM 0 HD2 PHE A 183 9.097 1.111 -3.367 -0.16 0.02 H new ATOM 0 HE1 PHE A 183 5.407 -1.655 -5.086 -0.15 0.02 H new ATOM 0 HE2 PHE A 183 7.843 -0.347 -1.844 -0.15 0.02 H new ATOM 0 HZ PHE A 183 6.000 -1.730 -2.698 -0.15 0.02 H new ATOM 361 N GLU A 184 6.753 1.452 -8.285 -0.36 0.02 N ATOM 362 CA GLU A 184 5.647 0.812 -8.979 1.00 0.02 C ATOM 363 C GLU A 184 6.084 -0.598 -9.357 0.48 0.02 C ATOM 364 O GLU A 184 7.172 -0.783 -9.893 -0.48 0.02 O ATOM 365 CB GLU A 184 5.251 1.601 -10.228 -0.20 0.02 C ATOM 366 CG GLU A 184 4.498 2.886 -9.921 -0.45 0.02 C ATOM 367 CD GLU A 184 3.667 3.369 -11.093 0.49 0.02 C ATOM 368 OE1 GLU A 184 4.208 3.441 -12.216 -0.62 0.02 O ATOM 369 OE2 GLU A 184 2.474 3.677 -10.887 -0.62 0.02 O ATOM 0 H GLU A 184 7.654 1.326 -8.747 -0.36 0.02 H new ATOM 0 HA GLU A 184 4.773 0.778 -8.328 1.00 0.02 H new ATOM 0 HB2 GLU A 184 6.150 1.843 -10.795 -0.20 0.02 H new ATOM 0 HB3 GLU A 184 4.632 0.970 -10.865 -0.20 0.02 H new ATOM 0 HG2 GLU A 184 3.848 2.725 -9.061 -0.45 0.02 H new ATOM 0 HG3 GLU A 184 5.210 3.662 -9.641 -0.45 0.02 H new ATOM 376 N CYS A 185 5.266 -1.593 -9.043 -0.36 0.02 N ATOM 377 CA CYS A 185 5.623 -2.977 -9.326 1.00 0.02 C ATOM 378 C CYS A 185 4.876 -3.534 -10.527 0.48 0.02 C ATOM 379 O CYS A 185 3.922 -2.937 -11.027 -0.48 0.02 O ATOM 380 CB CYS A 185 5.350 -3.847 -8.099 0.20 0.02 C ATOM 381 SG CYS A 185 6.676 -3.806 -6.852 -0.20 0.02 S ATOM 0 H CYS A 185 4.358 -1.470 -8.596 -0.36 0.02 H new ATOM 0 HA CYS A 185 6.686 -2.994 -9.566 1.00 0.02 H new ATOM 0 HB2 CYS A 185 4.419 -3.521 -7.635 0.20 0.02 H new ATOM 0 HB3 CYS A 185 5.201 -4.877 -8.423 0.20 0.02 H new ATOM 386 N GLU A 186 5.334 -4.694 -10.974 -0.36 0.02 N ATOM 387 CA GLU A 186 4.744 -5.381 -12.115 1.00 0.02 C ATOM 388 C GLU A 186 3.952 -6.605 -11.672 0.48 0.02 C ATOM 389 O GLU A 186 3.389 -7.321 -12.499 -0.48 0.02 O ATOM 390 CB GLU A 186 5.839 -5.818 -13.077 -0.20 0.02 C ATOM 391 CG GLU A 186 5.322 -6.245 -14.441 -0.45 0.02 C ATOM 392 CD GLU A 186 4.446 -5.190 -15.088 0.49 0.02 C ATOM 393 OE1 GLU A 186 3.269 -5.068 -14.687 -0.62 0.02 O ATOM 394 OE2 GLU A 186 4.936 -4.486 -15.996 -0.62 0.02 O ATOM 0 H GLU A 186 6.124 -5.186 -10.557 -0.36 0.02 H new ATOM 0 HA GLU A 186 4.065 -4.687 -12.611 1.00 0.02 H new ATOM 0 HB2 GLU A 186 6.545 -4.997 -13.207 -0.20 0.02 H new ATOM 0 HB3 GLU A 186 6.391 -6.646 -12.632 -0.20 0.02 H new ATOM 0 HG2 GLU A 186 6.167 -6.461 -15.095 -0.45 0.02 H new ATOM 0 HG3 GLU A 186 4.754 -7.170 -14.337 -0.45 0.02 H new ATOM 401 N CYS A 187 3.912 -6.846 -10.367 -0.36 0.02 N ATOM 402 CA CYS A 187 3.187 -7.990 -9.836 1.00 0.02 C ATOM 403 C CYS A 187 1.693 -7.804 -10.071 0.48 0.02 C ATOM 404 O CYS A 187 1.254 -6.700 -10.380 -0.48 0.02 O ATOM 405 CB CYS A 187 3.488 -8.182 -8.341 0.20 0.02 C ATOM 406 SG CYS A 187 5.027 -9.098 -8.013 -0.20 0.02 S ATOM 0 H CYS A 187 4.370 -6.268 -9.662 -0.36 0.02 H new ATOM 0 HA CYS A 187 3.516 -8.890 -10.357 1.00 0.02 H new ATOM 0 HB2 CYS A 187 3.550 -7.204 -7.864 0.20 0.02 H new ATOM 0 HB3 CYS A 187 2.655 -8.711 -7.877 0.20 0.02 H new ATOM 411 N PRO A 188 0.896 -8.885 -9.960 -0.36 0.02 N ATOM 412 CA PRO A 188 -0.558 -8.830 -10.188 1.00 0.02 C ATOM 413 C PRO A 188 -1.224 -7.716 -9.389 0.48 0.02 C ATOM 414 O PRO A 188 -1.910 -7.979 -8.403 -0.48 0.02 O ATOM 415 CB PRO A 188 -1.038 -10.202 -9.710 -0.20 0.02 C ATOM 416 CG PRO A 188 0.139 -11.096 -9.896 -0.20 0.02 C ATOM 417 CD PRO A 188 1.351 -10.247 -9.626 0.06 0.02 C ATOM 0 HA PRO A 188 -0.806 -8.617 -11.228 1.00 0.02 H new ATOM 0 HB2 PRO A 188 -1.352 -10.171 -8.667 -0.20 0.02 H new ATOM 0 HB3 PRO A 188 -1.894 -10.547 -10.290 -0.20 0.02 H new ATOM 0 HG2 PRO A 188 0.097 -11.944 -9.213 -0.20 0.02 H new ATOM 0 HG3 PRO A 188 0.165 -11.502 -10.907 -0.20 0.02 H new ATOM 0 HD2 PRO A 188 1.669 -10.320 -8.586 0.06 0.02 H new ATOM 0 HD3 PRO A 188 2.199 -10.550 -10.241 0.06 0.02 H new ATOM 425 N GLU A 189 -0.934 -6.473 -9.787 -0.36 0.02 N ATOM 426 CA GLU A 189 -1.400 -5.257 -9.114 1.00 0.02 C ATOM 427 C GLU A 189 -0.217 -4.699 -8.372 0.48 0.02 C ATOM 428 O GLU A 189 0.885 -5.233 -8.506 -0.48 0.02 O ATOM 429 CB GLU A 189 -2.560 -5.493 -8.140 -0.20 0.02 C ATOM 430 CG GLU A 189 -3.710 -6.269 -8.737 -0.45 0.02 C ATOM 431 CD GLU A 189 -4.958 -5.427 -8.923 0.49 0.02 C ATOM 432 OE1 GLU A 189 -4.823 -4.235 -9.269 -0.62 0.02 O ATOM 433 OE2 GLU A 189 -6.069 -5.961 -8.723 -0.62 0.02 O ATOM 0 H GLU A 189 -0.356 -6.280 -10.605 -0.36 0.02 H new ATOM 0 HA GLU A 189 -1.790 -4.570 -9.865 1.00 0.02 H new ATOM 0 HB2 GLU A 189 -2.186 -6.029 -7.268 -0.20 0.02 H new ATOM 0 HB3 GLU A 189 -2.928 -4.529 -7.788 -0.20 0.02 H new ATOM 0 HG2 GLU A 189 -3.405 -6.676 -9.701 -0.45 0.02 H new ATOM 0 HG3 GLU A 189 -3.943 -7.117 -8.093 -0.45 0.02 H new ATOM 440 N GLY A 190 -0.388 -3.639 -7.603 -0.36 0.02 N ATOM 441 CA GLY A 190 0.743 -3.096 -6.890 -0.10 0.02 C ATOM 442 C GLY A 190 1.414 -4.103 -5.970 0.48 0.02 C ATOM 443 O GLY A 190 2.181 -3.716 -5.099 -0.48 0.02 O ATOM 0 H GLY A 190 -1.273 -3.152 -7.461 -0.36 0.02 H new ATOM 0 HA2 GLY A 190 1.474 -2.728 -7.609 -0.10 0.02 H new ATOM 0 HA3 GLY A 190 0.415 -2.239 -6.302 -0.10 0.02 H new ATOM 447 N TYR A 191 1.189 -5.401 -6.188 -0.36 0.02 N ATOM 448 CA TYR A 191 1.838 -6.410 -5.375 1.00 0.02 C ATOM 449 C TYR A 191 3.327 -6.145 -5.334 0.48 0.02 C ATOM 450 O TYR A 191 3.945 -5.798 -6.340 -0.48 0.02 O ATOM 451 CB TYR A 191 1.578 -7.803 -5.946 -0.20 0.02 C ATOM 452 CG TYR A 191 0.317 -8.462 -5.445 1.00 0.02 C ATOM 453 CD1 TYR A 191 -0.927 -7.949 -5.775 -0.14 0.02 C ATOM 454 CD2 TYR A 191 0.370 -9.605 -4.657 -0.14 0.02 C ATOM 455 CE1 TYR A 191 -2.088 -8.553 -5.332 -0.14 0.02 C ATOM 456 CE2 TYR A 191 -0.786 -10.217 -4.212 -0.14 0.02 C ATOM 457 CZ TYR A 191 -2.012 -9.687 -4.552 0.20 0.02 C ATOM 458 OH TYR A 191 -3.167 -10.292 -4.110 -0.60 0.02 O ATOM 0 H TYR A 191 0.570 -5.766 -6.912 -0.36 0.02 H new ATOM 0 HA TYR A 191 1.431 -6.365 -4.365 1.00 0.02 H new ATOM 0 HB2 TYR A 191 1.528 -7.732 -7.033 -0.20 0.02 H new ATOM 0 HB3 TYR A 191 2.427 -8.444 -5.707 -0.20 0.02 H new ATOM 0 HD1 TYR A 191 -0.990 -7.062 -6.389 -0.14 0.02 H new ATOM 0 HD2 TYR A 191 1.330 -10.022 -4.388 -0.14 0.02 H new ATOM 0 HE1 TYR A 191 -3.050 -8.139 -5.595 -0.14 0.02 H new ATOM 0 HE2 TYR A 191 -0.729 -11.106 -3.601 -0.14 0.02 H new ATOM 0 HH TYR A 191 -2.939 -11.079 -3.573 -0.60 0.02 H new ATOM 468 N ARG A 192 3.882 -6.271 -4.157 -0.36 0.02 N ATOM 469 CA ARG A 192 5.302 -6.010 -3.947 1.00 0.02 C ATOM 470 C ARG A 192 6.128 -7.276 -4.148 0.48 0.02 C ATOM 471 O ARG A 192 5.906 -8.289 -3.492 -0.48 0.02 O ATOM 472 CB ARG A 192 5.534 -5.472 -2.535 -0.20 0.02 C ATOM 473 CG ARG A 192 4.926 -4.102 -2.298 -0.20 0.02 C ATOM 474 CD ARG A 192 5.017 -3.698 -0.834 -0.10 0.02 C ATOM 475 NE ARG A 192 5.110 -2.249 -0.664 -0.60 0.02 N ATOM 476 CZ ARG A 192 5.783 -1.655 0.321 0.60 0.02 C ATOM 477 NH1 ARG A 192 6.417 -2.378 1.238 -0.60 0.02 N ATOM 478 NH2 ARG A 192 5.819 -0.331 0.394 -0.60 0.02 N ATOM 0 H ARG A 192 3.377 -6.554 -3.317 -0.36 0.02 H new ATOM 0 HA ARG A 192 5.618 -5.267 -4.679 1.00 0.02 H new ATOM 0 HB2 ARG A 192 5.116 -6.175 -1.814 -0.20 0.02 H new ATOM 0 HB3 ARG A 192 6.606 -5.422 -2.346 -0.20 0.02 H new ATOM 0 HG2 ARG A 192 5.440 -3.363 -2.913 -0.20 0.02 H new ATOM 0 HG3 ARG A 192 3.882 -4.107 -2.611 -0.20 0.02 H new ATOM 0 HD2 ARG A 192 4.141 -4.069 -0.302 -0.10 0.02 H new ATOM 0 HD3 ARG A 192 5.889 -4.171 -0.382 -0.10 0.02 H new ATOM 0 HE ARG A 192 4.630 -1.656 -1.341 -0.60 0.02 H new ATOM 0 HH11 ARG A 192 6.391 -3.397 1.192 -0.60 0.02 H new ATOM 0 HH12 ARG A 192 6.930 -1.914 1.988 -0.60 0.02 H new ATOM 0 HH21 ARG A 192 5.332 0.232 -0.303 -0.60 0.02 H new ATOM 0 HH22 ARG A 192 6.334 0.124 1.148 -0.60 0.02 H new ATOM 492 N TYR A 193 7.090 -7.201 -5.059 -0.36 0.02 N ATOM 493 CA TYR A 193 7.961 -8.323 -5.365 1.00 0.02 C ATOM 494 C TYR A 193 9.155 -8.375 -4.418 0.48 0.02 C ATOM 495 O TYR A 193 9.515 -7.374 -3.798 -0.48 0.02 O ATOM 496 CB TYR A 193 8.453 -8.193 -6.801 -0.20 0.02 C ATOM 497 CG TYR A 193 9.131 -9.427 -7.327 1.00 0.02 C ATOM 498 CD1 TYR A 193 8.389 -10.482 -7.827 -0.14 0.02 C ATOM 499 CD2 TYR A 193 10.512 -9.527 -7.338 -0.14 0.02 C ATOM 500 CE1 TYR A 193 9.005 -11.612 -8.324 -0.14 0.02 C ATOM 501 CE2 TYR A 193 11.140 -10.647 -7.837 -0.14 0.02 C ATOM 502 CZ TYR A 193 10.383 -11.689 -8.330 0.20 0.02 C ATOM 503 OH TYR A 193 11.006 -12.804 -8.840 -0.60 0.02 O ATOM 0 H TYR A 193 7.286 -6.362 -5.604 -0.36 0.02 H new ATOM 0 HA TYR A 193 7.394 -9.245 -5.241 1.00 0.02 H new ATOM 0 HB2 TYR A 193 7.606 -7.953 -7.444 -0.20 0.02 H new ATOM 0 HB3 TYR A 193 9.147 -7.355 -6.862 -0.20 0.02 H new ATOM 0 HD1 TYR A 193 7.311 -10.420 -7.828 -0.14 0.02 H new ATOM 0 HD2 TYR A 193 11.107 -8.714 -6.949 -0.14 0.02 H new ATOM 0 HE1 TYR A 193 8.413 -12.431 -8.706 -0.14 0.02 H new ATOM 0 HE2 TYR A 193 12.218 -10.709 -7.842 -0.14 0.02 H new ATOM 0 HH TYR A 193 10.331 -13.462 -9.107 -0.60 0.02 H new ATOM 513 N ASN A 194 9.758 -9.553 -4.308 -0.36 0.02 N ATOM 514 CA ASN A 194 10.907 -9.744 -3.432 1.00 0.02 C ATOM 515 C ASN A 194 12.039 -10.476 -4.146 0.48 0.02 C ATOM 516 O ASN A 194 11.830 -11.540 -4.730 -0.48 0.02 O ATOM 517 CB ASN A 194 10.488 -10.537 -2.197 -0.20 0.02 C ATOM 518 CG ASN A 194 10.367 -9.666 -0.962 0.48 0.02 C ATOM 519 OD1 ASN A 194 9.458 -8.842 -0.856 -0.48 0.02 O ATOM 520 ND2 ASN A 194 11.286 -9.844 -0.020 -0.52 0.02 N ATOM 0 H ASN A 194 9.470 -10.390 -4.815 -0.36 0.02 H new ATOM 0 HA ASN A 194 11.271 -8.760 -3.137 1.00 0.02 H new ATOM 0 HB2 ASN A 194 9.532 -11.024 -2.389 -0.20 0.02 H new ATOM 0 HB3 ASN A 194 11.217 -11.326 -2.011 -0.20 0.02 H new ATOM 0 HD21 ASN A 194 11.256 -9.286 0.833 -0.52 0.02 H new ATOM 0 HD22 ASN A 194 12.022 -10.538 -0.150 -0.52 0.02 H new ATOM 527 N LEU A 195 13.242 -9.907 -4.083 -0.36 0.02 N ATOM 528 CA LEU A 195 14.410 -10.514 -4.711 1.00 0.02 C ATOM 529 C LEU A 195 14.954 -11.657 -3.855 0.48 0.02 C ATOM 530 O LEU A 195 15.785 -12.443 -4.308 -0.48 0.02 O ATOM 531 CB LEU A 195 15.502 -9.464 -4.922 -0.20 0.02 C ATOM 532 CG LEU A 195 16.629 -9.881 -5.868 -0.10 0.02 C ATOM 533 CD1 LEU A 195 16.354 -9.382 -7.278 -0.30 0.02 C ATOM 534 CD2 LEU A 195 17.966 -9.356 -5.366 -0.30 0.02 C ATOM 0 H LEU A 195 13.431 -9.027 -3.603 -0.36 0.02 H new ATOM 0 HA LEU A 195 14.105 -10.916 -5.677 1.00 0.02 H new ATOM 0 HB2 LEU A 195 15.041 -8.556 -5.310 -0.20 0.02 H new ATOM 0 HB3 LEU A 195 15.935 -9.213 -3.954 -0.20 0.02 H new ATOM 0 HG LEU A 195 16.674 -10.970 -5.893 -0.10 0.02 H new ATOM 0 HD11 LEU A 195 17.166 -9.688 -7.937 -0.30 0.02 H new ATOM 0 HD12 LEU A 195 15.416 -9.805 -7.637 -0.30 0.02 H new ATOM 0 HD13 LEU A 195 16.282 -8.294 -7.272 -0.30 0.02 H new ATOM 0 HD21 LEU A 195 18.757 -9.662 -6.051 -0.30 0.02 H new ATOM 0 HD22 LEU A 195 17.933 -8.268 -5.313 -0.30 0.02 H new ATOM 0 HD23 LEU A 195 18.167 -9.762 -4.375 -0.30 0.02 H new ATOM 546 N LYS A 196 14.484 -11.741 -2.613 -0.36 0.02 N ATOM 547 CA LYS A 196 14.923 -12.784 -1.701 1.00 0.02 C ATOM 548 C LYS A 196 14.619 -14.147 -2.289 0.48 0.02 C ATOM 549 O LYS A 196 15.491 -15.011 -2.380 -0.48 0.02 O ATOM 550 CB LYS A 196 14.222 -12.632 -0.351 -0.20 0.02 C ATOM 551 CG LYS A 196 15.098 -12.014 0.719 -0.20 0.02 C ATOM 552 CD LYS A 196 15.348 -10.539 0.450 -0.20 0.02 C ATOM 553 CE LYS A 196 16.544 -10.024 1.233 0.30 5.02 C ATOM 554 NZ LYS A 196 17.825 -10.263 0.512 -0.81 0.02 N ATOM 0 H LYS A 196 13.799 -11.097 -2.218 -0.36 0.02 H new ATOM 0 HA LYS A 196 15.999 -12.692 -1.553 1.00 0.02 H new ATOM 0 HB2 LYS A 196 13.332 -12.017 -0.480 -0.20 0.02 H new ATOM 0 HB3 LYS A 196 13.886 -13.612 -0.013 -0.20 0.02 H new ATOM 0 HG2 LYS A 196 14.623 -12.132 1.693 -0.20 0.02 H new ATOM 0 HG3 LYS A 196 16.050 -12.544 0.762 -0.20 0.02 H new ATOM 0 HD2 LYS A 196 15.517 -10.386 -0.616 -0.20 0.02 H new ATOM 0 HD3 LYS A 196 14.462 -9.964 0.718 -0.20 0.02 H new ATOM 0 HE2 LYS A 196 16.425 -8.956 1.417 0.30 5.02 H new ATOM 0 HE3 LYS A 196 16.579 -10.513 2.206 0.30 5.02 H new ATOM 0 HZ1 LYS A 196 18.616 -9.897 1.079 -0.81 0.02 H new ATOM 0 HZ2 LYS A 196 17.952 -11.284 0.359 -0.81 0.02 H new ATOM 0 HZ3 LYS A 196 17.803 -9.775 -0.406 -0.81 0.02 H new ATOM 568 N SER A 197 13.371 -14.326 -2.694 -0.36 0.02 N ATOM 569 CA SER A 197 12.939 -15.581 -3.284 1.00 0.02 C ATOM 570 C SER A 197 12.476 -15.396 -4.725 0.48 0.02 C ATOM 571 O SER A 197 12.092 -16.359 -5.388 -0.48 0.02 O ATOM 572 CB SER A 197 11.821 -16.209 -2.449 0.08 0.02 C ATOM 573 OG SER A 197 12.343 -17.130 -1.507 -0.68 0.02 O ATOM 0 H SER A 197 12.641 -13.617 -2.624 -0.36 0.02 H new ATOM 0 HA SER A 197 13.798 -16.252 -3.292 1.00 0.02 H new ATOM 0 HB2 SER A 197 11.268 -15.427 -1.929 0.08 0.02 H new ATOM 0 HB3 SER A 197 11.114 -16.717 -3.105 0.08 0.02 H new ATOM 0 HG SER A 197 11.609 -17.516 -0.985 -0.68 0.02 H new ATOM 579 N LYS A 198 12.498 -14.156 -5.204 -0.36 0.02 N ATOM 580 CA LYS A 198 12.067 -13.855 -6.549 1.00 0.02 C ATOM 581 C LYS A 198 10.669 -14.357 -6.788 0.48 0.02 C ATOM 582 O LYS A 198 10.408 -15.204 -7.643 -0.48 0.02 O ATOM 583 CB LYS A 198 13.042 -14.395 -7.567 -0.20 0.02 C ATOM 584 CG LYS A 198 14.020 -13.323 -7.947 -0.20 0.02 C ATOM 585 CD LYS A 198 14.951 -13.020 -6.792 -0.20 0.02 C ATOM 586 CE LYS A 198 16.034 -14.077 -6.648 0.30 5.02 C ATOM 587 NZ LYS A 198 17.367 -13.473 -6.376 -0.81 0.02 N ATOM 0 H LYS A 198 12.813 -13.345 -4.671 -0.36 0.02 H new ATOM 0 HA LYS A 198 12.049 -12.772 -6.667 1.00 0.02 H new ATOM 0 HB2 LYS A 198 13.571 -15.255 -7.157 -0.20 0.02 H new ATOM 0 HB3 LYS A 198 12.506 -14.742 -8.450 -0.20 0.02 H new ATOM 0 HG2 LYS A 198 14.599 -13.641 -8.814 -0.20 0.02 H new ATOM 0 HG3 LYS A 198 13.484 -12.419 -8.236 -0.20 0.02 H new ATOM 0 HD2 LYS A 198 15.413 -12.044 -6.944 -0.20 0.02 H new ATOM 0 HD3 LYS A 198 14.376 -12.960 -5.868 -0.20 0.02 H new ATOM 0 HE2 LYS A 198 15.772 -14.757 -5.838 0.30 5.02 H new ATOM 0 HE3 LYS A 198 16.084 -14.672 -7.560 0.30 5.02 H new ATOM 0 HZ1 LYS A 198 18.083 -14.225 -6.318 -0.81 0.02 H new ATOM 0 HZ2 LYS A 198 17.614 -12.817 -7.144 -0.81 0.02 H new ATOM 0 HZ3 LYS A 198 17.336 -12.955 -5.475 -0.81 0.02 H new ATOM 601 N SER A 199 9.785 -13.792 -6.008 -0.36 0.02 N ATOM 602 CA SER A 199 8.366 -14.112 -6.069 1.00 0.02 C ATOM 603 C SER A 199 7.526 -12.878 -5.758 0.48 0.02 C ATOM 604 O SER A 199 8.013 -11.922 -5.153 -0.48 0.02 O ATOM 605 CB SER A 199 8.029 -15.235 -5.086 0.08 0.02 C ATOM 606 OG SER A 199 7.069 -16.121 -5.634 -0.68 0.02 O ATOM 0 H SER A 199 10.022 -13.092 -5.305 -0.36 0.02 H new ATOM 0 HA SER A 199 8.134 -14.448 -7.080 1.00 0.02 H new ATOM 0 HB2 SER A 199 8.935 -15.786 -4.834 0.08 0.02 H new ATOM 0 HB3 SER A 199 7.647 -14.808 -4.159 0.08 0.02 H new ATOM 0 HG SER A 199 6.872 -16.830 -4.987 -0.68 0.02 H new ATOM 612 N CYS A 200 6.266 -12.900 -6.175 -0.36 0.02 N ATOM 613 CA CYS A 200 5.371 -11.775 -5.937 1.00 0.02 C ATOM 614 C CYS A 200 4.856 -11.807 -4.503 0.48 0.02 C ATOM 615 O CYS A 200 4.577 -12.877 -3.961 -0.48 0.02 O ATOM 616 CB CYS A 200 4.202 -11.804 -6.921 0.20 0.02 C ATOM 617 SG CYS A 200 4.562 -11.008 -8.520 -0.20 0.02 S ATOM 0 H CYS A 200 5.843 -13.680 -6.677 -0.36 0.02 H new ATOM 0 HA CYS A 200 5.927 -10.850 -6.089 1.00 0.02 H new ATOM 0 HB2 CYS A 200 3.915 -12.840 -7.099 0.20 0.02 H new ATOM 0 HB3 CYS A 200 3.344 -11.310 -6.465 0.20 0.02 H new ATOM 622 N GLU A 201 4.754 -10.636 -3.879 -0.36 0.02 N ATOM 623 CA GLU A 201 4.300 -10.557 -2.496 1.00 0.02 C ATOM 624 C GLU A 201 3.435 -9.324 -2.224 0.48 0.02 C ATOM 625 O GLU A 201 3.920 -8.195 -2.237 -0.48 0.02 O ATOM 626 CB GLU A 201 5.502 -10.556 -1.551 -0.20 0.02 C ATOM 627 CG GLU A 201 6.066 -11.941 -1.280 -0.45 0.02 C ATOM 628 CD GLU A 201 5.590 -12.518 0.039 0.49 0.02 C ATOM 629 OE1 GLU A 201 4.439 -12.232 0.431 -0.62 0.02 O ATOM 630 OE2 GLU A 201 6.368 -13.255 0.680 -0.62 0.02 O ATOM 0 H GLU A 201 4.978 -9.737 -4.306 -0.36 0.02 H new ATOM 0 HA GLU A 201 3.679 -11.435 -2.318 1.00 0.02 H new ATOM 0 HB2 GLU A 201 6.287 -9.930 -1.976 -0.20 0.02 H new ATOM 0 HB3 GLU A 201 5.209 -10.101 -0.605 -0.20 0.02 H new ATOM 0 HG2 GLU A 201 5.778 -12.611 -2.090 -0.45 0.02 H new ATOM 0 HG3 GLU A 201 7.155 -11.892 -1.279 -0.45 0.02 H new ATOM 637 N ASP A 202 2.152 -9.582 -1.970 -0.36 0.02 N ATOM 638 CA ASP A 202 1.156 -8.555 -1.668 1.00 0.02 C ATOM 639 C ASP A 202 1.786 -7.247 -1.201 0.48 0.02 C ATOM 640 O ASP A 202 2.784 -7.231 -0.480 -0.48 0.02 O ATOM 641 CB ASP A 202 0.185 -9.058 -0.600 -0.45 0.02 C ATOM 642 CG ASP A 202 -0.871 -8.027 -0.262 0.49 0.02 C ATOM 643 OD1 ASP A 202 -1.306 -7.305 -1.183 -0.62 0.02 O ATOM 644 OD2 ASP A 202 -1.263 -7.941 0.921 -0.62 0.02 O ATOM 0 H ASP A 202 1.769 -10.528 -1.968 -0.36 0.02 H new ATOM 0 HA ASP A 202 0.622 -8.353 -2.597 1.00 0.02 H new ATOM 0 HB2 ASP A 202 -0.298 -9.970 -0.950 -0.45 0.02 H new ATOM 0 HB3 ASP A 202 0.740 -9.317 0.301 -0.45 0.02 H new ATOM 649 N ILE A 203 1.187 -6.161 -1.643 -0.36 0.02 N ATOM 650 CA ILE A 203 1.652 -4.824 -1.328 1.00 0.02 C ATOM 651 C ILE A 203 1.112 -4.306 0.013 0.48 0.02 C ATOM 652 O ILE A 203 0.172 -4.867 0.589 -0.48 0.02 O ATOM 653 CB ILE A 203 1.265 -3.867 -2.458 -0.10 0.02 C ATOM 654 CG1 ILE A 203 1.918 -2.503 -2.282 -0.20 0.02 C ATOM 655 CG2 ILE A 203 -0.236 -3.734 -2.540 -0.30 0.02 C ATOM 656 CD1 ILE A 203 2.027 -1.749 -3.579 -0.30 0.02 C ATOM 0 H ILE A 203 0.357 -6.180 -2.236 -0.36 0.02 H new ATOM 0 HA ILE A 203 2.737 -4.872 -1.232 1.00 0.02 H new ATOM 0 HB ILE A 203 1.631 -4.287 -3.395 -0.10 0.02 H new ATOM 0 HG12 ILE A 203 1.339 -1.915 -1.570 -0.20 0.02 H new ATOM 0 HG13 ILE A 203 2.912 -2.631 -1.855 -0.20 0.02 H new ATOM 0 HG21 ILE A 203 -0.497 -3.050 -3.348 -0.30 0.02 H new ATOM 0 HG22 ILE A 203 -0.678 -4.711 -2.735 -0.30 0.02 H new ATOM 0 HG23 ILE A 203 -0.619 -3.344 -1.597 -0.30 0.02 H new ATOM 0 HD11 ILE A 203 2.499 -0.783 -3.400 -0.30 0.02 H new ATOM 0 HD12 ILE A 203 2.629 -2.322 -4.284 -0.30 0.02 H new ATOM 0 HD13 ILE A 203 1.031 -1.594 -3.995 -0.30 0.02 H new ATOM 668 N ASP A 204 1.717 -3.207 0.471 -0.36 0.02 N ATOM 669 CA ASP A 204 1.330 -2.550 1.718 1.00 0.02 C ATOM 670 C ASP A 204 0.560 -1.255 1.433 0.48 0.02 C ATOM 671 O ASP A 204 0.975 -0.167 1.832 -0.48 0.02 O ATOM 672 CB ASP A 204 2.570 -2.258 2.566 -0.45 0.02 C ATOM 673 CG ASP A 204 2.373 -2.630 4.022 0.49 0.02 C ATOM 674 OD1 ASP A 204 1.244 -2.463 4.530 -0.62 0.02 O ATOM 675 OD2 ASP A 204 3.347 -3.089 4.655 -0.62 0.02 O ATOM 0 H ASP A 204 2.489 -2.749 -0.014 -0.36 0.02 H new ATOM 0 HA ASP A 204 0.674 -3.221 2.273 1.00 0.02 H new ATOM 0 HB2 ASP A 204 3.420 -2.810 2.164 -0.45 0.02 H new ATOM 0 HB3 ASP A 204 2.815 -1.198 2.494 -0.45 0.02 H new ATOM 680 N GLU A 205 -0.559 -1.392 0.727 -0.36 0.02 N ATOM 681 CA GLU A 205 -1.405 -0.259 0.356 1.00 0.02 C ATOM 682 C GLU A 205 -1.800 0.614 1.548 0.48 0.02 C ATOM 683 O GLU A 205 -1.953 1.825 1.407 -0.48 0.02 O ATOM 684 CB GLU A 205 -2.677 -0.755 -0.323 -0.20 0.02 C ATOM 685 CG GLU A 205 -2.422 -1.635 -1.531 -0.45 0.02 C ATOM 686 CD GLU A 205 -3.067 -3.002 -1.400 0.49 0.02 C ATOM 687 OE1 GLU A 205 -2.442 -3.905 -0.806 -0.62 0.02 O ATOM 688 OE2 GLU A 205 -4.202 -3.167 -1.886 -0.62 0.02 O ATOM 0 H GLU A 205 -0.906 -2.292 0.395 -0.36 0.02 H new ATOM 0 HA GLU A 205 -0.811 0.353 -0.323 1.00 0.02 H new ATOM 0 HB2 GLU A 205 -3.271 -1.312 0.402 -0.20 0.02 H new ATOM 0 HB3 GLU A 205 -3.273 0.105 -0.630 -0.20 0.02 H new ATOM 0 HG2 GLU A 205 -2.804 -1.140 -2.424 -0.45 0.02 H new ATOM 0 HG3 GLU A 205 -1.347 -1.755 -1.669 -0.45 0.02 H new ATOM 695 N CYS A 206 -1.988 0.003 2.712 -0.36 0.02 N ATOM 696 CA CYS A 206 -2.399 0.755 3.898 1.00 0.02 C ATOM 697 C CYS A 206 -1.211 1.399 4.605 0.48 0.02 C ATOM 698 O CYS A 206 -1.325 2.498 5.148 -0.48 0.02 O ATOM 699 CB CYS A 206 -3.204 -0.140 4.853 0.20 0.02 C ATOM 700 SG CYS A 206 -2.476 -0.394 6.513 -0.20 0.02 S ATOM 0 H CYS A 206 -1.865 -0.998 2.862 -0.36 0.02 H new ATOM 0 HA CYS A 206 -3.045 1.568 3.567 1.00 0.02 H new ATOM 0 HB2 CYS A 206 -4.197 0.293 4.975 0.20 0.02 H new ATOM 0 HB3 CYS A 206 -3.336 -1.114 4.382 0.20 0.02 H new ATOM 705 N SER A 207 -0.076 0.718 4.597 -0.36 0.02 N ATOM 706 CA SER A 207 1.123 1.239 5.241 1.00 0.02 C ATOM 707 C SER A 207 1.464 2.627 4.706 0.48 0.02 C ATOM 708 O SER A 207 2.211 3.380 5.331 -0.48 0.02 O ATOM 709 CB SER A 207 2.303 0.292 5.018 0.08 0.02 C ATOM 710 OG SER A 207 2.325 -0.733 5.996 -0.68 0.02 O ATOM 0 H SER A 207 0.042 -0.193 4.154 -0.36 0.02 H new ATOM 0 HA SER A 207 0.927 1.316 6.310 1.00 0.02 H new ATOM 0 HB2 SER A 207 2.236 -0.150 4.024 0.08 0.02 H new ATOM 0 HB3 SER A 207 3.236 0.854 5.054 0.08 0.02 H new ATOM 0 HG SER A 207 1.625 -1.389 5.798 -0.68 0.02 H new ATOM 716 N GLU A 208 0.938 2.944 3.526 -0.36 0.02 N ATOM 717 CA GLU A 208 1.208 4.216 2.878 1.00 0.02 C ATOM 718 C GLU A 208 0.373 5.342 3.473 0.48 0.02 C ATOM 719 O GLU A 208 0.825 6.485 3.523 -0.48 0.02 O ATOM 720 CB GLU A 208 0.913 4.086 1.386 -0.20 0.02 C ATOM 721 CG GLU A 208 2.119 3.674 0.562 -0.45 0.02 C ATOM 722 CD GLU A 208 2.517 4.722 -0.459 0.49 0.02 C ATOM 723 OE1 GLU A 208 1.618 5.263 -1.136 -0.62 0.02 O ATOM 724 OE2 GLU A 208 3.728 5.002 -0.581 -0.62 0.02 O ATOM 0 H GLU A 208 0.318 2.329 2.999 -0.36 0.02 H new ATOM 0 HA GLU A 208 2.257 4.466 3.037 1.00 0.02 H new ATOM 0 HB2 GLU A 208 0.119 3.353 1.244 -0.20 0.02 H new ATOM 0 HB3 GLU A 208 0.538 5.039 1.014 -0.20 0.02 H new ATOM 0 HG2 GLU A 208 2.961 3.484 1.228 -0.45 0.02 H new ATOM 0 HG3 GLU A 208 1.900 2.738 0.049 -0.45 0.02 H new ATOM 731 N ASN A 209 -0.843 5.010 3.916 -0.36 0.02 N ATOM 732 CA ASN A 209 -1.775 5.978 4.513 1.00 0.02 C ATOM 733 C ASN A 209 -2.980 6.188 3.604 0.48 0.02 C ATOM 734 O ASN A 209 -3.156 7.261 3.025 -0.48 0.02 O ATOM 735 CB ASN A 209 -1.107 7.330 4.801 -0.20 0.02 C ATOM 736 CG ASN A 209 -2.012 8.266 5.577 0.48 0.02 C ATOM 737 OD1 ASN A 209 -2.191 8.117 6.786 -0.48 0.02 O ATOM 738 ND2 ASN A 209 -2.590 9.240 4.883 -0.52 0.02 N ATOM 0 H ASN A 209 -1.212 4.060 3.872 -0.36 0.02 H new ATOM 0 HA ASN A 209 -2.100 5.557 5.465 1.00 0.02 H new ATOM 0 HB2 ASN A 209 -0.189 7.166 5.365 -0.20 0.02 H new ATOM 0 HB3 ASN A 209 -0.823 7.800 3.859 -0.20 0.02 H new ATOM 0 HD21 ASN A 209 -3.210 9.901 5.351 -0.52 0.02 H new ATOM 0 HD22 ASN A 209 -2.414 9.327 3.882 -0.52 0.02 H new ATOM 745 N MET A 210 -3.812 5.158 3.485 -0.36 0.02 N ATOM 746 CA MET A 210 -5.009 5.237 2.646 1.00 0.02 C ATOM 747 C MET A 210 -6.274 5.103 3.458 0.48 0.02 C ATOM 748 O MET A 210 -7.355 5.458 2.985 -0.48 0.02 O ATOM 749 CB MET A 210 -4.977 4.171 1.548 -0.20 0.02 C ATOM 750 CG MET A 210 -3.584 3.878 1.024 -0.11 5.02 C ATOM 751 SD MET A 210 -2.970 5.166 -0.079 -0.17 0.02 S ATOM 752 CE MET A 210 -2.659 4.216 -1.565 -0.21 5.02 C ATOM 0 H MET A 210 -3.683 4.262 3.955 -0.36 0.02 H new ATOM 0 HA MET A 210 -5.009 6.224 2.183 1.00 0.02 H new ATOM 0 HB2 MET A 210 -5.411 3.249 1.936 -0.20 0.02 H new ATOM 0 HB3 MET A 210 -5.606 4.496 0.720 -0.20 0.02 H new ATOM 0 HG2 MET A 210 -2.899 3.769 1.865 -0.11 5.02 H new ATOM 0 HG3 MET A 210 -3.592 2.925 0.494 -0.11 5.02 H new ATOM 0 HE1 MET A 210 -2.274 4.874 -2.344 -0.21 5.02 H new ATOM 0 HE2 MET A 210 -1.926 3.438 -1.353 -0.21 5.02 H new ATOM 0 HE3 MET A 210 -3.588 3.757 -1.904 -0.21 5.02 H new ATOM 762 N CYS A 211 -6.161 4.591 4.669 -0.36 0.02 N ATOM 763 CA CYS A 211 -7.338 4.431 5.495 1.00 0.02 C ATOM 764 C CYS A 211 -7.382 5.433 6.626 0.48 0.02 C ATOM 765 O CYS A 211 -6.362 5.767 7.229 -0.48 0.02 O ATOM 766 CB CYS A 211 -7.429 3.013 6.030 0.20 0.02 C ATOM 767 SG CYS A 211 -7.259 1.751 4.731 -0.20 0.02 S ATOM 0 H CYS A 211 -5.286 4.285 5.094 -0.36 0.02 H new ATOM 0 HA CYS A 211 -8.204 4.623 4.862 1.00 0.02 H new ATOM 0 HB2 CYS A 211 -6.652 2.863 6.779 0.20 0.02 H new ATOM 0 HB3 CYS A 211 -8.387 2.881 6.534 0.20 0.02 H new ATOM 772 N ALA A 212 -8.581 5.935 6.879 -0.36 0.02 N ATOM 773 CA ALA A 212 -8.777 6.932 7.905 1.00 0.02 C ATOM 774 C ALA A 212 -8.935 6.325 9.301 0.48 0.02 C ATOM 775 O ALA A 212 -8.393 6.849 10.274 -0.48 0.02 O ATOM 776 CB ALA A 212 -9.976 7.807 7.566 -0.30 0.02 C ATOM 0 H ALA A 212 -9.431 5.664 6.384 -0.36 0.02 H new ATOM 0 HA ALA A 212 -7.875 7.544 7.930 1.00 0.02 H new ATOM 0 HB1 ALA A 212 -10.113 8.555 8.347 -0.30 0.02 H new ATOM 0 HB2 ALA A 212 -9.804 8.306 6.612 -0.30 0.02 H new ATOM 0 HB3 ALA A 212 -10.870 7.188 7.496 -0.30 0.02 H new ATOM 782 N GLN A 213 -9.693 5.235 9.404 -0.36 0.02 N ATOM 783 CA GLN A 213 -9.925 4.593 10.697 1.00 0.02 C ATOM 784 C GLN A 213 -9.075 3.336 10.882 0.48 0.02 C ATOM 785 O GLN A 213 -8.142 3.322 11.686 -0.48 0.02 O ATOM 786 CB GLN A 213 -11.402 4.256 10.864 -0.20 0.02 C ATOM 787 CG GLN A 213 -11.927 4.448 12.283 -0.20 0.02 C ATOM 788 CD GLN A 213 -11.465 5.747 12.920 0.48 0.02 C ATOM 789 OE1 GLN A 213 -11.292 6.759 12.240 -0.48 0.02 O ATOM 790 NE2 GLN A 213 -11.264 5.724 14.233 -0.52 0.02 N ATOM 0 H GLN A 213 -10.154 4.781 8.615 -0.36 0.02 H new ATOM 0 HA GLN A 213 -9.626 5.304 11.467 1.00 0.02 H new ATOM 0 HB2 GLN A 213 -11.985 4.878 10.185 -0.20 0.02 H new ATOM 0 HB3 GLN A 213 -11.564 3.220 10.565 -0.20 0.02 H new ATOM 0 HG2 GLN A 213 -13.017 4.426 12.267 -0.20 0.02 H new ATOM 0 HG3 GLN A 213 -11.601 3.611 12.901 -0.20 0.02 H new ATOM 0 HE21 GLN A 213 -11.420 4.863 14.758 -0.52 0.02 H new ATOM 0 HE22 GLN A 213 -10.954 6.567 14.716 -0.52 0.02 H new ATOM 799 N LEU A 214 -9.403 2.281 10.142 -0.36 0.02 N ATOM 800 CA LEU A 214 -8.675 1.021 10.230 1.00 0.02 C ATOM 801 C LEU A 214 -8.327 0.498 8.860 0.48 0.02 C ATOM 802 O LEU A 214 -9.184 0.463 7.982 -0.48 0.02 O ATOM 803 CB LEU A 214 -9.521 -0.016 10.935 -0.20 0.02 C ATOM 804 CG LEU A 214 -9.728 0.247 12.410 -0.10 0.02 C ATOM 805 CD1 LEU A 214 -8.379 0.400 13.091 -0.30 0.02 C ATOM 806 CD2 LEU A 214 -10.590 1.482 12.606 -0.30 0.02 C ATOM 0 H LEU A 214 -10.172 2.275 9.472 -0.36 0.02 H new ATOM 0 HA LEU A 214 -7.757 1.208 10.788 1.00 0.02 H new ATOM 0 HB2 LEU A 214 -10.494 -0.067 10.447 -0.20 0.02 H new ATOM 0 HB3 LEU A 214 -9.053 -0.993 10.814 -0.20 0.02 H new ATOM 0 HG LEU A 214 -10.249 -0.596 12.863 -0.10 0.02 H new ATOM 0 HD11 LEU A 214 -8.527 0.590 14.154 -0.30 0.02 H new ATOM 0 HD12 LEU A 214 -7.801 -0.515 12.963 -0.30 0.02 H new ATOM 0 HD13 LEU A 214 -7.839 1.236 12.645 -0.30 0.02 H new ATOM 0 HD21 LEU A 214 -10.732 1.661 13.672 -0.30 0.02 H new ATOM 0 HD22 LEU A 214 -10.098 2.344 12.155 -0.30 0.02 H new ATOM 0 HD23 LEU A 214 -11.559 1.328 12.132 -0.30 0.02 H new ATOM 818 N CYS A 215 -7.073 0.116 8.645 -0.36 0.02 N ATOM 819 CA CYS A 215 -6.685 -0.361 7.337 1.00 0.02 C ATOM 820 C CYS A 215 -6.410 -1.866 7.271 0.48 0.02 C ATOM 821 O CYS A 215 -5.297 -2.312 7.548 -0.48 0.02 O ATOM 822 CB CYS A 215 -5.444 0.381 6.847 0.20 0.02 C ATOM 823 SG CYS A 215 -3.939 0.109 7.845 -0.20 0.02 S ATOM 0 H CYS A 215 -6.330 0.128 9.344 -0.36 0.02 H new ATOM 0 HA CYS A 215 -7.544 -0.163 6.695 1.00 0.02 H new ATOM 0 HB2 CYS A 215 -5.240 0.079 5.820 0.20 0.02 H new ATOM 0 HB3 CYS A 215 -5.661 1.449 6.828 0.20 0.02 H new ATOM 828 N VAL A 216 -7.388 -2.640 6.806 -0.36 0.02 N ATOM 829 CA VAL A 216 -7.168 -4.065 6.604 1.00 0.02 C ATOM 830 C VAL A 216 -6.853 -4.256 5.142 0.48 0.02 C ATOM 831 O VAL A 216 -7.741 -4.424 4.310 -0.48 0.02 O ATOM 832 CB VAL A 216 -8.363 -4.960 6.977 -0.10 0.02 C ATOM 833 CG1 VAL A 216 -8.455 -6.193 6.066 -0.30 0.02 C ATOM 834 CG2 VAL A 216 -8.276 -5.397 8.433 -0.30 0.02 C ATOM 0 H VAL A 216 -8.323 -2.310 6.567 -0.36 0.02 H new ATOM 0 HA VAL A 216 -6.358 -4.370 7.267 1.00 0.02 H new ATOM 0 HB VAL A 216 -9.266 -4.367 6.836 -0.10 0.02 H new ATOM 0 HG11 VAL A 216 -9.311 -6.800 6.361 -0.30 0.02 H new ATOM 0 HG12 VAL A 216 -8.576 -5.873 5.031 -0.30 0.02 H new ATOM 0 HG13 VAL A 216 -7.543 -6.783 6.159 -0.30 0.02 H new ATOM 0 HG21 VAL A 216 -9.131 -6.029 8.675 -0.30 0.02 H new ATOM 0 HG22 VAL A 216 -7.354 -5.957 8.590 -0.30 0.02 H new ATOM 0 HG23 VAL A 216 -8.280 -4.518 9.078 -0.30 0.02 H new ATOM 844 N ASN A 217 -5.595 -4.196 4.826 -0.36 0.02 N ATOM 845 CA ASN A 217 -5.186 -4.339 3.456 1.00 0.02 C ATOM 846 C ASN A 217 -5.061 -5.814 3.099 0.48 0.02 C ATOM 847 O ASN A 217 -4.117 -6.472 3.537 -0.48 0.02 O ATOM 848 CB ASN A 217 -3.869 -3.607 3.213 -0.20 0.02 C ATOM 849 CG ASN A 217 -3.272 -3.935 1.864 0.48 0.02 C ATOM 850 OD1 ASN A 217 -3.946 -4.478 0.989 -0.48 0.02 O ATOM 851 ND2 ASN A 217 -2.008 -3.594 1.687 -0.52 0.02 N ATOM 0 H ASN A 217 -4.836 -4.050 5.491 -0.36 0.02 H new ATOM 0 HA ASN A 217 -5.944 -3.892 2.813 1.00 0.02 H new ATOM 0 HB2 ASN A 217 -4.035 -2.532 3.283 -0.20 0.02 H new ATOM 0 HB3 ASN A 217 -3.159 -3.871 3.996 -0.20 0.02 H new ATOM 0 HD21 ASN A 217 -1.550 -3.779 0.795 -0.52 0.02 H new ATOM 0 HD22 ASN A 217 -1.490 -3.146 2.443 -0.52 0.02 H new ATOM 858 N TYR A 218 -6.014 -6.362 2.331 -0.36 0.02 N ATOM 859 CA TYR A 218 -5.945 -7.772 1.996 1.00 0.02 C ATOM 860 C TYR A 218 -5.088 -7.994 0.769 0.48 0.02 C ATOM 861 O TYR A 218 -4.713 -7.042 0.077 -0.48 0.02 O ATOM 862 CB TYR A 218 -7.352 -8.373 1.821 -0.20 0.02 C ATOM 863 CG TYR A 218 -8.237 -7.700 0.791 1.00 0.02 C ATOM 864 CD1 TYR A 218 -8.047 -7.908 -0.572 -0.14 0.02 C ATOM 865 CD2 TYR A 218 -9.292 -6.885 1.188 -0.14 0.02 C ATOM 866 CE1 TYR A 218 -8.881 -7.319 -1.506 -0.14 0.02 C ATOM 867 CE2 TYR A 218 -10.126 -6.289 0.260 -0.14 0.02 C ATOM 868 CZ TYR A 218 -9.917 -6.511 -1.085 0.20 0.02 C ATOM 869 OH TYR A 218 -10.748 -5.925 -2.012 -0.60 0.02 O ATOM 0 H TYR A 218 -6.814 -5.860 1.945 -0.36 0.02 H new ATOM 0 HA TYR A 218 -5.472 -8.293 2.828 1.00 0.02 H new ATOM 0 HB2 TYR A 218 -7.246 -9.423 1.550 -0.20 0.02 H new ATOM 0 HB3 TYR A 218 -7.861 -8.343 2.784 -0.20 0.02 H new ATOM 0 HD1 TYR A 218 -7.236 -8.539 -0.906 -0.14 0.02 H new ATOM 0 HD2 TYR A 218 -9.463 -6.715 2.241 -0.14 0.02 H new ATOM 0 HE1 TYR A 218 -8.722 -7.491 -2.560 -0.14 0.02 H new ATOM 0 HE2 TYR A 218 -10.936 -5.654 0.586 -0.14 0.02 H new ATOM 0 HH TYR A 218 -11.426 -5.389 -1.551 -0.60 0.02 H new ATOM 879 N PRO A 219 -4.715 -9.253 0.503 -0.36 0.02 N ATOM 880 CA PRO A 219 -3.865 -9.579 -0.620 1.00 0.02 C ATOM 881 C PRO A 219 -4.306 -8.886 -1.907 0.48 0.02 C ATOM 882 O PRO A 219 -5.265 -9.309 -2.554 -0.48 0.02 O ATOM 883 CB PRO A 219 -3.977 -11.107 -0.755 -0.20 0.02 C ATOM 884 CG PRO A 219 -4.993 -11.535 0.256 -0.20 0.02 C ATOM 885 CD PRO A 219 -5.040 -10.450 1.290 0.06 0.02 C ATOM 0 HA PRO A 219 -2.842 -9.241 -0.454 1.00 0.02 H new ATOM 0 HB2 PRO A 219 -4.285 -11.388 -1.762 -0.20 0.02 H new ATOM 0 HB3 PRO A 219 -3.016 -11.587 -0.570 -0.20 0.02 H new ATOM 0 HG2 PRO A 219 -5.970 -11.672 -0.208 -0.20 0.02 H new ATOM 0 HG3 PRO A 219 -4.717 -12.489 0.705 -0.20 0.02 H new ATOM 0 HD2 PRO A 219 -6.022 -10.375 1.757 0.06 0.02 H new ATOM 0 HD3 PRO A 219 -4.319 -10.619 2.090 0.06 0.02 H new ATOM 893 N GLY A 220 -3.589 -7.831 -2.281 -0.36 0.02 N ATOM 894 CA GLY A 220 -3.905 -7.108 -3.496 -0.10 0.02 C ATOM 895 C GLY A 220 -4.751 -5.875 -3.262 0.48 0.02 C ATOM 896 O GLY A 220 -4.300 -4.758 -3.502 -0.48 0.02 O ATOM 0 H GLY A 220 -2.792 -7.464 -1.761 -0.36 0.02 H new ATOM 0 HA2 GLY A 220 -2.977 -6.814 -3.987 -0.10 0.02 H new ATOM 0 HA3 GLY A 220 -4.430 -7.775 -4.180 -0.10 0.02 H new ATOM 900 N GLY A 221 -5.984 -6.076 -2.813 -0.36 0.02 N ATOM 901 CA GLY A 221 -6.875 -4.957 -2.570 -0.10 0.02 C ATOM 902 C GLY A 221 -7.006 -4.605 -1.111 0.48 0.02 C ATOM 903 O GLY A 221 -7.635 -5.328 -0.338 -0.48 0.02 O ATOM 0 H GLY A 221 -6.383 -6.993 -2.613 -0.36 0.02 H new ATOM 0 HA2 GLY A 221 -6.511 -4.086 -3.115 -0.10 0.02 H new ATOM 0 HA3 GLY A 221 -7.861 -5.193 -2.969 -0.10 0.02 H new ATOM 907 N TYR A 222 -6.398 -3.518 -0.696 -0.36 0.02 N ATOM 908 CA TYR A 222 -6.477 -3.151 0.692 1.00 0.02 C ATOM 909 C TYR A 222 -7.916 -2.848 1.102 0.48 0.02 C ATOM 910 O TYR A 222 -8.835 -2.941 0.288 -0.48 0.02 O ATOM 911 CB TYR A 222 -5.586 -1.962 0.987 -0.20 0.02 C ATOM 912 CG TYR A 222 -6.010 -0.723 0.257 1.00 0.02 C ATOM 913 CD1 TYR A 222 -5.624 -0.511 -1.054 -0.14 0.02 C ATOM 914 CD2 TYR A 222 -6.796 0.228 0.880 -0.14 0.02 C ATOM 915 CE1 TYR A 222 -6.010 0.628 -1.734 -0.14 0.02 C ATOM 916 CE2 TYR A 222 -7.190 1.372 0.213 -0.14 0.02 C ATOM 917 CZ TYR A 222 -6.793 1.569 -1.094 0.20 0.02 C ATOM 918 OH TYR A 222 -7.181 2.706 -1.764 -0.60 0.02 O ATOM 0 H TYR A 222 -5.856 -2.887 -1.286 -0.36 0.02 H new ATOM 0 HA TYR A 222 -6.127 -4.001 1.278 1.00 0.02 H new ATOM 0 HB2 TYR A 222 -5.592 -1.766 2.059 -0.20 0.02 H new ATOM 0 HB3 TYR A 222 -4.560 -2.206 0.713 -0.20 0.02 H new ATOM 0 HD1 TYR A 222 -5.012 -1.247 -1.554 -0.14 0.02 H new ATOM 0 HD2 TYR A 222 -7.107 0.075 1.903 -0.14 0.02 H new ATOM 0 HE1 TYR A 222 -5.702 0.781 -2.758 -0.14 0.02 H new ATOM 0 HE2 TYR A 222 -7.805 2.107 0.711 -0.14 0.02 H new ATOM 0 HH TYR A 222 -7.728 3.264 -1.172 -0.60 0.02 H new ATOM 928 N THR A 223 -8.103 -2.485 2.365 -0.36 0.02 N ATOM 929 CA THR A 223 -9.431 -2.167 2.872 1.00 0.02 C ATOM 930 C THR A 223 -9.356 -1.207 4.046 0.48 0.02 C ATOM 931 O THR A 223 -8.404 -1.222 4.821 -0.48 0.02 O ATOM 932 CB THR A 223 -10.159 -3.450 3.280 0.18 0.02 C ATOM 933 OG1 THR A 223 -10.426 -4.256 2.150 -0.68 0.02 O ATOM 934 CG2 THR A 223 -11.471 -3.206 3.983 -0.30 0.02 C ATOM 0 H THR A 223 -7.355 -2.404 3.054 -0.36 0.02 H new ATOM 0 HA THR A 223 -9.991 -1.678 2.075 1.00 0.02 H new ATOM 0 HB THR A 223 -9.483 -3.948 3.975 0.18 0.02 H new ATOM 0 HG1 THR A 223 -9.740 -4.952 2.075 -0.68 0.02 H new ATOM 0 HG21 THR A 223 -11.929 -4.161 4.241 -0.30 0.02 H new ATOM 0 HG22 THR A 223 -11.295 -2.630 4.892 -0.30 0.02 H new ATOM 0 HG23 THR A 223 -12.139 -2.650 3.325 -0.30 0.02 H new ATOM 942 N CYS A 224 -10.365 -0.357 4.153 -0.36 0.02 N ATOM 943 CA CYS A 224 -10.419 0.628 5.216 1.00 0.02 C ATOM 944 C CYS A 224 -11.729 0.541 5.984 0.48 0.02 C ATOM 945 O CYS A 224 -12.770 0.987 5.501 -0.48 0.02 O ATOM 946 CB CYS A 224 -10.249 2.025 4.626 0.20 0.02 C ATOM 947 SG CYS A 224 -8.821 2.163 3.508 -0.20 0.02 S ATOM 0 H CYS A 224 -11.159 -0.331 3.513 -0.36 0.02 H new ATOM 0 HA CYS A 224 -9.608 0.424 5.915 1.00 0.02 H new ATOM 0 HB2 CYS A 224 -11.155 2.295 4.083 0.20 0.02 H new ATOM 0 HB3 CYS A 224 -10.137 2.744 5.438 0.20 0.02 H new ATOM 952 N TYR A 225 -11.675 -0.012 7.193 -0.36 0.02 N ATOM 953 CA TYR A 225 -12.869 -0.114 8.015 1.00 0.02 C ATOM 954 C TYR A 225 -12.904 1.016 9.026 0.48 0.02 C ATOM 955 O TYR A 225 -11.885 1.401 9.593 -0.48 0.02 O ATOM 956 CB TYR A 225 -13.013 -1.479 8.693 -0.20 0.02 C ATOM 957 CG TYR A 225 -11.774 -2.010 9.369 1.00 0.02 C ATOM 958 CD1 TYR A 225 -10.651 -2.370 8.639 -0.14 0.02 C ATOM 959 CD2 TYR A 225 -11.748 -2.188 10.744 -0.14 0.02 C ATOM 960 CE1 TYR A 225 -9.540 -2.891 9.254 -0.14 0.02 C ATOM 961 CE2 TYR A 225 -10.633 -2.707 11.375 -0.14 0.02 C ATOM 962 CZ TYR A 225 -9.531 -3.062 10.624 0.20 0.02 C ATOM 963 OH TYR A 225 -8.418 -3.584 11.242 -0.60 0.02 O ATOM 0 H TYR A 225 -10.828 -0.390 7.617 -0.36 0.02 H new ATOM 0 HA TYR A 225 -13.729 -0.021 7.351 1.00 0.02 H new ATOM 0 HB2 TYR A 225 -13.809 -1.413 9.435 -0.20 0.02 H new ATOM 0 HB3 TYR A 225 -13.334 -2.203 7.945 -0.20 0.02 H new ATOM 0 HD1 TYR A 225 -10.651 -2.238 7.567 -0.14 0.02 H new ATOM 0 HD2 TYR A 225 -12.613 -1.917 11.331 -0.14 0.02 H new ATOM 0 HE1 TYR A 225 -8.676 -3.166 8.668 -0.14 0.02 H new ATOM 0 HE2 TYR A 225 -10.624 -2.834 12.448 -0.14 0.02 H new ATOM 0 HH TYR A 225 -8.575 -3.638 12.208 -0.60 0.02 H new ATOM 973 N CYS A 226 -14.087 1.574 9.185 -0.36 0.02 N ATOM 974 CA CYS A 226 -14.318 2.717 10.057 1.00 0.02 C ATOM 975 C CYS A 226 -15.279 2.364 11.186 0.48 0.02 C ATOM 976 O CYS A 226 -15.672 1.207 11.334 -0.48 0.02 O ATOM 977 CB CYS A 226 -14.872 3.837 9.197 0.20 0.02 C ATOM 978 SG CYS A 226 -14.163 3.850 7.516 -0.20 0.02 S ATOM 0 H CYS A 226 -14.927 1.246 8.709 -0.36 0.02 H new ATOM 0 HA CYS A 226 -13.386 3.027 10.530 1.00 0.02 H new ATOM 0 HB2 CYS A 226 -15.955 3.736 9.129 0.20 0.02 H new ATOM 0 HB3 CYS A 226 -14.671 4.794 9.679 0.20 0.02 H new ATOM 983 N ASP A 227 -15.640 3.359 11.992 -0.36 0.02 N ATOM 984 CA ASP A 227 -16.539 3.134 13.113 1.00 0.02 C ATOM 985 C ASP A 227 -15.888 2.222 14.150 0.48 0.02 C ATOM 986 O ASP A 227 -16.142 1.018 14.179 -0.48 0.02 O ATOM 987 CB ASP A 227 -17.856 2.523 12.623 -0.45 0.02 C ATOM 988 CG ASP A 227 -18.802 2.171 13.757 0.49 0.02 C ATOM 989 OD1 ASP A 227 -18.475 2.476 14.923 -0.62 0.02 O ATOM 990 OD2 ASP A 227 -19.872 1.591 13.478 -0.62 0.02 O ATOM 0 H ASP A 227 -15.324 4.323 11.888 -0.36 0.02 H new ATOM 0 HA ASP A 227 -16.750 4.095 13.583 1.00 0.02 H new ATOM 0 HB2 ASP A 227 -18.348 3.225 11.951 -0.45 0.02 H new ATOM 0 HB3 ASP A 227 -17.641 1.625 12.044 -0.45 0.02 H new ATOM 995 N GLY A 228 -15.047 2.805 14.998 -0.36 0.02 N ATOM 996 CA GLY A 228 -14.373 2.031 16.023 -0.10 0.02 C ATOM 997 C GLY A 228 -14.189 2.809 17.312 0.48 0.02 C ATOM 998 O GLY A 228 -14.795 2.482 18.332 -0.48 0.02 O ATOM 0 H GLY A 228 -14.820 3.800 14.993 -0.36 0.02 H new ATOM 0 HA2 GLY A 228 -14.947 1.127 16.227 -0.10 0.02 H new ATOM 0 HA3 GLY A 228 -13.399 1.713 15.652 -0.10 0.02 H new ATOM 1002 N LYS A 229 -13.351 3.839 17.266 -0.36 0.02 N ATOM 1003 CA LYS A 229 -13.089 4.664 18.440 1.00 0.02 C ATOM 1004 C LYS A 229 -14.129 5.773 18.573 0.48 0.02 C ATOM 1005 O LYS A 229 -14.521 6.138 19.681 -0.48 0.02 O ATOM 1006 CB LYS A 229 -11.685 5.268 18.365 -0.20 0.02 C ATOM 1007 CG LYS A 229 -11.437 6.081 17.103 -0.20 0.02 C ATOM 1008 CD LYS A 229 -11.324 7.569 17.404 -0.20 0.02 C ATOM 1009 CE LYS A 229 -10.068 8.170 16.792 0.30 5.02 C ATOM 1010 NZ LYS A 229 -9.011 8.408 17.813 -0.81 0.02 N ATOM 0 H LYS A 229 -12.842 4.123 16.429 -0.36 0.02 H new ATOM 0 HA LYS A 229 -13.154 4.025 19.321 1.00 0.02 H new ATOM 0 HB2 LYS A 229 -11.526 5.906 19.235 -0.20 0.02 H new ATOM 0 HB3 LYS A 229 -10.950 4.465 18.420 -0.20 0.02 H new ATOM 0 HG2 LYS A 229 -10.521 5.737 16.622 -0.20 0.02 H new ATOM 0 HG3 LYS A 229 -12.250 5.913 16.397 -0.20 0.02 H new ATOM 0 HD2 LYS A 229 -12.202 8.087 17.017 -0.20 0.02 H new ATOM 0 HD3 LYS A 229 -11.313 7.723 18.483 -0.20 0.02 H new ATOM 0 HE2 LYS A 229 -9.684 7.501 16.021 0.30 5.02 H new ATOM 0 HE3 LYS A 229 -10.318 9.111 16.302 0.30 5.02 H new ATOM 0 HZ1 LYS A 229 -8.172 8.818 17.355 -0.81 0.02 H new ATOM 0 HZ2 LYS A 229 -9.368 9.066 18.535 -0.81 0.02 H new ATOM 0 HZ3 LYS A 229 -8.754 7.506 18.263 -0.81 0.02 H new ATOM 1024 N LYS A 230 -14.573 6.303 17.438 -0.36 0.02 N ATOM 1025 CA LYS A 230 -15.570 7.368 17.432 1.00 0.02 C ATOM 1026 C LYS A 230 -16.982 6.805 17.257 0.48 0.02 C ATOM 1027 O LYS A 230 -17.963 7.548 17.297 -0.48 0.02 O ATOM 1028 CB LYS A 230 -15.265 8.376 16.320 -0.20 0.02 C ATOM 1029 CG LYS A 230 -14.624 9.659 16.823 -0.20 0.02 C ATOM 1030 CD LYS A 230 -14.941 10.835 15.913 -0.20 0.02 C ATOM 1031 CE LYS A 230 -13.832 11.873 15.938 0.30 5.02 C ATOM 1032 NZ LYS A 230 -12.681 11.478 15.080 -0.81 0.02 N ATOM 0 H LYS A 230 -14.259 6.013 16.512 -0.36 0.02 H new ATOM 0 HA LYS A 230 -15.524 7.875 18.396 1.00 0.02 H new ATOM 0 HB2 LYS A 230 -14.603 7.910 15.590 -0.20 0.02 H new ATOM 0 HB3 LYS A 230 -16.191 8.622 15.799 -0.20 0.02 H new ATOM 0 HG2 LYS A 230 -14.978 9.872 17.832 -0.20 0.02 H new ATOM 0 HG3 LYS A 230 -13.544 9.527 16.886 -0.20 0.02 H new ATOM 0 HD2 LYS A 230 -15.084 10.479 14.893 -0.20 0.02 H new ATOM 0 HD3 LYS A 230 -15.879 11.295 16.225 -0.20 0.02 H new ATOM 0 HE2 LYS A 230 -14.225 12.832 15.599 0.30 5.02 H new ATOM 0 HE3 LYS A 230 -13.489 12.013 16.963 0.30 5.02 H new ATOM 0 HZ1 LYS A 230 -11.946 12.213 15.125 -0.81 0.02 H new ATOM 0 HZ2 LYS A 230 -12.289 10.576 15.418 -0.81 0.02 H new ATOM 0 HZ3 LYS A 230 -13.002 11.369 14.097 -0.81 0.02 H new ATOM 1046 N GLY A 231 -17.079 5.490 17.066 -0.36 0.02 N ATOM 1047 CA GLY A 231 -18.375 4.857 16.892 -0.10 0.02 C ATOM 1048 C GLY A 231 -19.208 5.517 15.808 0.48 0.02 C ATOM 1049 O GLY A 231 -20.288 6.041 16.080 -0.48 0.02 O ATOM 0 H GLY A 231 -16.283 4.853 17.029 -0.36 0.02 H new ATOM 0 HA2 GLY A 231 -18.231 3.805 16.644 -0.10 0.02 H new ATOM 0 HA3 GLY A 231 -18.921 4.890 17.835 -0.10 0.02 H new ATOM 1053 N PHE A 232 -18.701 5.500 14.580 -0.36 0.02 N ATOM 1054 CA PHE A 232 -19.403 6.110 13.458 1.00 0.02 C ATOM 1055 C PHE A 232 -19.747 5.086 12.369 0.48 0.02 C ATOM 1056 O PHE A 232 -20.327 4.042 12.664 -0.48 0.02 O ATOM 1057 CB PHE A 232 -18.590 7.265 12.895 -0.16 0.02 C ATOM 1058 CG PHE A 232 -17.159 6.972 12.593 0.03 0.02 C ATOM 1059 CD1 PHE A 232 -16.210 6.947 13.599 -0.16 0.02 C ATOM 1060 CD2 PHE A 232 -16.755 6.787 11.287 -0.16 0.02 C ATOM 1061 CE1 PHE A 232 -14.880 6.728 13.305 -0.15 0.02 C ATOM 1062 CE2 PHE A 232 -15.434 6.583 10.986 -0.15 0.02 C ATOM 1063 CZ PHE A 232 -14.490 6.549 11.993 -0.15 0.02 C ATOM 0 H PHE A 232 -17.808 5.071 14.337 -0.36 0.02 H new ATOM 0 HA PHE A 232 -20.350 6.501 13.829 1.00 0.02 H new ATOM 0 HB2 PHE A 232 -19.071 7.609 11.979 -0.16 0.02 H new ATOM 0 HB3 PHE A 232 -18.629 8.091 13.605 -0.16 0.02 H new ATOM 0 HD1 PHE A 232 -16.513 7.100 14.624 -0.16 0.02 H new ATOM 0 HD2 PHE A 232 -17.488 6.803 10.494 -0.16 0.02 H new ATOM 0 HE1 PHE A 232 -14.147 6.697 14.098 -0.15 0.02 H new ATOM 0 HE2 PHE A 232 -15.130 6.448 9.958 -0.15 0.02 H new ATOM 0 HZ PHE A 232 -13.450 6.383 11.755 -0.15 0.02 H new ATOM 1073 N LYS A 233 -19.428 5.392 11.109 -0.36 0.02 N ATOM 1074 CA LYS A 233 -19.746 4.496 10.006 1.00 0.02 C ATOM 1075 C LYS A 233 -18.793 4.674 8.825 0.48 0.02 C ATOM 1076 O LYS A 233 -18.424 5.793 8.473 -0.48 0.02 O ATOM 1077 CB LYS A 233 -21.164 4.780 9.541 -0.20 0.02 C ATOM 1078 CG LYS A 233 -21.777 3.664 8.710 -0.20 0.02 C ATOM 1079 CD LYS A 233 -22.666 2.762 9.555 -0.20 0.02 C ATOM 1080 CE LYS A 233 -22.149 1.332 9.580 0.30 5.02 C ATOM 1081 NZ LYS A 233 -22.834 0.513 10.617 -0.81 0.02 N ATOM 0 H LYS A 233 -18.952 6.251 10.833 -0.36 0.02 H new ATOM 0 HA LYS A 233 -19.644 3.472 10.365 1.00 0.02 H new ATOM 0 HB2 LYS A 233 -21.793 4.957 10.413 -0.20 0.02 H new ATOM 0 HB3 LYS A 233 -21.166 5.699 8.955 -0.20 0.02 H new ATOM 0 HG2 LYS A 233 -22.362 4.094 7.897 -0.20 0.02 H new ATOM 0 HG3 LYS A 233 -20.984 3.071 8.254 -0.20 0.02 H new ATOM 0 HD2 LYS A 233 -22.716 3.149 10.573 -0.20 0.02 H new ATOM 0 HD3 LYS A 233 -23.681 2.776 9.158 -0.20 0.02 H new ATOM 0 HE2 LYS A 233 -22.296 0.876 8.601 0.30 5.02 H new ATOM 0 HE3 LYS A 233 -21.076 1.337 9.771 0.30 5.02 H new ATOM 0 HZ1 LYS A 233 -22.454 -0.455 10.602 -0.81 0.02 H new ATOM 0 HZ2 LYS A 233 -22.673 0.934 11.554 -0.81 0.02 H new ATOM 0 HZ3 LYS A 233 -23.855 0.487 10.420 -0.81 0.02 H new ATOM 1095 N LEU A 234 -18.408 3.566 8.204 -0.36 0.02 N ATOM 1096 CA LEU A 234 -17.516 3.612 7.051 1.00 0.02 C ATOM 1097 C LEU A 234 -18.270 4.084 5.812 0.48 0.02 C ATOM 1098 O LEU A 234 -19.189 3.411 5.347 -0.48 0.02 O ATOM 1099 CB LEU A 234 -16.908 2.223 6.798 -0.20 0.02 C ATOM 1100 CG LEU A 234 -16.453 1.944 5.357 -0.10 0.02 C ATOM 1101 CD1 LEU A 234 -15.578 3.073 4.830 -0.30 0.02 C ATOM 1102 CD2 LEU A 234 -15.711 0.617 5.282 -0.30 0.02 C ATOM 0 H LEU A 234 -18.698 2.627 8.478 -0.36 0.02 H new ATOM 0 HA LEU A 234 -16.713 4.319 7.262 1.00 0.02 H new ATOM 0 HB2 LEU A 234 -16.052 2.096 7.460 -0.20 0.02 H new ATOM 0 HB3 LEU A 234 -17.643 1.469 7.079 -0.20 0.02 H new ATOM 0 HG LEU A 234 -17.341 1.884 4.728 -0.10 0.02 H new ATOM 0 HD11 LEU A 234 -15.271 2.849 3.809 -0.30 0.02 H new ATOM 0 HD12 LEU A 234 -16.141 4.006 4.843 -0.30 0.02 H new ATOM 0 HD13 LEU A 234 -14.695 3.174 5.461 -0.30 0.02 H new ATOM 0 HD21 LEU A 234 -15.395 0.434 4.255 -0.30 0.02 H new ATOM 0 HD22 LEU A 234 -14.835 0.653 5.930 -0.30 0.02 H new ATOM 0 HD23 LEU A 234 -16.370 -0.187 5.608 -0.30 0.02 H new ATOM 1114 N ALA A 235 -17.888 5.246 5.280 -0.36 0.02 N ATOM 1115 CA ALA A 235 -18.553 5.786 4.097 1.00 0.02 C ATOM 1116 C ALA A 235 -18.651 4.748 2.984 0.48 0.02 C ATOM 1117 O ALA A 235 -18.182 3.618 3.123 -0.48 0.02 O ATOM 1118 CB ALA A 235 -17.822 7.011 3.581 -0.30 0.02 C ATOM 0 H ALA A 235 -17.131 5.824 5.645 -0.36 0.02 H new ATOM 0 HA ALA A 235 -19.562 6.067 4.398 1.00 0.02 H new ATOM 0 HB1 ALA A 235 -18.335 7.396 2.700 -0.30 0.02 H new ATOM 0 HB2 ALA A 235 -17.805 7.778 4.355 -0.30 0.02 H new ATOM 0 HB3 ALA A 235 -16.800 6.740 3.317 -0.30 0.02 H new ATOM 1124 N GLN A 236 -19.281 5.144 1.886 -0.36 0.02 N ATOM 1125 CA GLN A 236 -19.470 4.256 0.748 1.00 0.02 C ATOM 1126 C GLN A 236 -18.143 3.862 0.099 0.48 0.02 C ATOM 1127 O GLN A 236 -17.910 2.688 -0.191 -0.48 0.02 O ATOM 1128 CB GLN A 236 -20.386 4.911 -0.289 -0.20 0.02 C ATOM 1129 CG GLN A 236 -21.651 4.117 -0.570 -0.20 0.02 C ATOM 1130 CD GLN A 236 -22.825 4.572 0.275 0.48 0.02 C ATOM 1131 OE1 GLN A 236 -23.472 3.767 0.944 -0.48 0.02 O ATOM 1132 NE2 GLN A 236 -23.105 5.869 0.248 -0.52 0.02 N ATOM 0 H GLN A 236 -19.671 6.078 1.760 -0.36 0.02 H new ATOM 0 HA GLN A 236 -19.937 3.345 1.122 1.00 0.02 H new ATOM 0 HB2 GLN A 236 -20.661 5.907 0.059 -0.20 0.02 H new ATOM 0 HB3 GLN A 236 -19.834 5.040 -1.220 -0.20 0.02 H new ATOM 0 HG2 GLN A 236 -21.909 4.213 -1.625 -0.20 0.02 H new ATOM 0 HG3 GLN A 236 -21.461 3.060 -0.383 -0.20 0.02 H new ATOM 0 HE21 GLN A 236 -22.542 6.501 -0.321 -0.52 0.02 H new ATOM 0 HE22 GLN A 236 -23.884 6.234 0.796 -0.52 0.02 H new ATOM 1141 N ASP A 237 -17.288 4.849 -0.144 -0.36 0.02 N ATOM 1142 CA ASP A 237 -15.988 4.613 -0.782 1.00 0.02 C ATOM 1143 C ASP A 237 -15.277 3.376 -0.223 0.48 0.02 C ATOM 1144 O ASP A 237 -14.476 2.752 -0.918 -0.48 0.02 O ATOM 1145 CB ASP A 237 -15.078 5.837 -0.623 -0.45 0.02 C ATOM 1146 CG ASP A 237 -15.801 7.141 -0.899 0.49 0.02 C ATOM 1147 OD1 ASP A 237 -16.636 7.173 -1.828 -0.62 0.02 O ATOM 1148 OD2 ASP A 237 -15.532 8.131 -0.187 -0.62 0.02 O ATOM 0 H ASP A 237 -17.468 5.825 0.090 -0.36 0.02 H new ATOM 0 HA ASP A 237 -16.188 4.435 -1.839 1.00 0.02 H new ATOM 0 HB2 ASP A 237 -14.675 5.857 0.390 -0.45 0.02 H new ATOM 0 HB3 ASP A 237 -14.230 5.745 -1.302 -0.45 0.02 H new ATOM 1153 N GLN A 238 -15.562 3.029 1.032 -0.36 0.02 N ATOM 1154 CA GLN A 238 -14.932 1.868 1.671 1.00 0.02 C ATOM 1155 C GLN A 238 -13.461 2.146 2.008 0.48 0.02 C ATOM 1156 O GLN A 238 -12.797 1.333 2.650 -0.48 0.02 O ATOM 1157 CB GLN A 238 -15.036 0.636 0.768 -0.20 0.02 C ATOM 1158 CG GLN A 238 -15.131 -0.674 1.534 -0.20 0.02 C ATOM 1159 CD GLN A 238 -16.268 -1.552 1.050 0.48 0.02 C ATOM 1160 OE1 GLN A 238 -16.087 -2.746 0.811 -0.48 0.02 O ATOM 1161 NE2 GLN A 238 -17.450 -0.964 0.902 -0.52 0.02 N ATOM 0 H GLN A 238 -16.222 3.531 1.626 -0.36 0.02 H new ATOM 0 HA GLN A 238 -15.465 1.674 2.602 1.00 0.02 H new ATOM 0 HB2 GLN A 238 -15.913 0.738 0.128 -0.20 0.02 H new ATOM 0 HB3 GLN A 238 -14.166 0.602 0.113 -0.20 0.02 H new ATOM 0 HG2 GLN A 238 -14.191 -1.217 1.436 -0.20 0.02 H new ATOM 0 HG3 GLN A 238 -15.267 -0.461 2.594 -0.20 0.02 H new ATOM 0 HE21 GLN A 238 -17.556 0.029 1.112 -0.52 0.02 H new ATOM 0 HE22 GLN A 238 -18.252 -1.505 0.579 -0.52 0.02 H new ATOM 1170 N LYS A 239 -12.968 3.304 1.577 -0.36 0.02 N ATOM 1171 CA LYS A 239 -11.590 3.700 1.836 1.00 0.02 C ATOM 1172 C LYS A 239 -11.558 4.835 2.851 0.48 0.02 C ATOM 1173 O LYS A 239 -10.666 4.907 3.696 -0.48 0.02 O ATOM 1174 CB LYS A 239 -10.903 4.131 0.539 -0.20 0.02 C ATOM 1175 CG LYS A 239 -11.516 5.370 -0.094 -0.20 0.02 C ATOM 1176 CD LYS A 239 -10.771 6.630 0.316 -0.20 0.02 C ATOM 1177 CE LYS A 239 -11.455 7.879 -0.213 0.30 5.02 C ATOM 1178 NZ LYS A 239 -11.282 8.027 -1.684 -0.81 0.02 N ATOM 0 H LYS A 239 -13.507 3.987 1.044 -0.36 0.02 H new ATOM 0 HA LYS A 239 -11.051 2.844 2.243 1.00 0.02 H new ATOM 0 HB2 LYS A 239 -9.849 4.321 0.742 -0.20 0.02 H new ATOM 0 HB3 LYS A 239 -10.947 3.309 -0.176 -0.20 0.02 H new ATOM 0 HG2 LYS A 239 -11.498 5.272 -1.179 -0.20 0.02 H new ATOM 0 HG3 LYS A 239 -12.562 5.452 0.202 -0.20 0.02 H new ATOM 0 HD2 LYS A 239 -10.710 6.680 1.403 -0.20 0.02 H new ATOM 0 HD3 LYS A 239 -9.748 6.587 -0.059 -0.20 0.02 H new ATOM 0 HE2 LYS A 239 -12.518 7.839 0.025 0.30 5.02 H new ATOM 0 HE3 LYS A 239 -11.048 8.756 0.290 0.30 5.02 H new ATOM 0 HZ1 LYS A 239 -11.763 8.891 -2.005 -0.81 0.02 H new ATOM 0 HZ2 LYS A 239 -10.269 8.091 -1.910 -0.81 0.02 H new ATOM 0 HZ3 LYS A 239 -11.693 7.202 -2.167 -0.81 0.02 H new ATOM 1192 N SER A 240 -12.554 5.713 2.767 -0.36 0.02 N ATOM 1193 CA SER A 240 -12.663 6.841 3.682 1.00 0.02 C ATOM 1194 C SER A 240 -13.452 6.435 4.921 0.48 0.02 C ATOM 1195 O SER A 240 -13.845 5.278 5.058 -0.48 0.02 O ATOM 1196 CB SER A 240 -13.342 8.026 2.992 0.08 0.02 C ATOM 1197 OG SER A 240 -12.384 8.906 2.430 -0.68 0.02 O ATOM 0 H SER A 240 -13.298 5.663 2.072 -0.36 0.02 H new ATOM 0 HA SER A 240 -11.660 7.142 3.983 1.00 0.02 H new ATOM 0 HB2 SER A 240 -14.009 7.662 2.210 0.08 0.02 H new ATOM 0 HB3 SER A 240 -13.958 8.565 3.711 0.08 0.02 H new ATOM 0 HG SER A 240 -12.843 9.654 1.994 -0.68 0.02 H new ATOM 1203 N CYS A 241 -13.676 7.384 5.822 -0.36 0.02 N ATOM 1204 CA CYS A 241 -14.412 7.108 7.051 1.00 0.02 C ATOM 1205 C CYS A 241 -15.206 8.335 7.489 0.48 0.02 C ATOM 1206 O CYS A 241 -14.635 9.398 7.733 -0.48 0.02 O ATOM 1207 CB CYS A 241 -13.430 6.650 8.133 0.20 0.02 C ATOM 1208 SG CYS A 241 -12.591 5.109 7.687 -0.20 0.02 S ATOM 0 H CYS A 241 -13.360 8.349 5.726 -0.36 0.02 H new ATOM 0 HA CYS A 241 -15.132 6.309 6.877 1.00 0.02 H new ATOM 0 HB2 CYS A 241 -12.688 7.430 8.301 0.20 0.02 H new ATOM 0 HB3 CYS A 241 -13.966 6.511 9.072 0.20 0.02 H new ATOM 1213 N GLU A 242 -16.533 8.193 7.553 -0.36 0.02 N ATOM 1214 CA GLU A 242 -17.394 9.313 7.923 1.00 0.02 C ATOM 1215 C GLU A 242 -18.309 8.995 9.108 0.48 0.02 C ATOM 1216 O GLU A 242 -18.891 7.916 9.191 -0.48 0.02 O ATOM 1217 CB GLU A 242 -18.241 9.740 6.723 -0.20 0.02 C ATOM 1218 CG GLU A 242 -17.424 10.308 5.574 -0.45 0.02 C ATOM 1219 CD GLU A 242 -18.282 10.690 4.384 0.49 0.02 C ATOM 1220 OE1 GLU A 242 -19.372 11.262 4.596 -0.62 0.02 O ATOM 1221 OE2 GLU A 242 -17.863 10.418 3.239 -0.62 0.02 O ATOM 0 H GLU A 242 -17.027 7.323 7.355 -0.36 0.02 H new ATOM 0 HA GLU A 242 -16.737 10.126 8.231 1.00 0.02 H new ATOM 0 HB2 GLU A 242 -18.808 8.881 6.365 -0.20 0.02 H new ATOM 0 HB3 GLU A 242 -18.965 10.487 7.047 -0.20 0.02 H new ATOM 0 HG2 GLU A 242 -16.877 11.185 5.920 -0.45 0.02 H new ATOM 0 HG3 GLU A 242 -16.682 9.573 5.262 -0.45 0.02 H new ATOM 1228 N VAL A 243 -18.442 9.962 10.012 -0.36 0.02 N ATOM 1229 CA VAL A 243 -19.296 9.815 11.189 1.00 0.02 C ATOM 1230 C VAL A 243 -20.605 10.575 11.007 0.48 0.02 C ATOM 1231 O VAL A 243 -20.610 11.744 10.620 -0.48 0.02 O ATOM 1232 CB VAL A 243 -18.583 10.320 12.461 -0.10 0.02 C ATOM 1233 CG1 VAL A 243 -17.974 11.693 12.221 -0.30 0.02 C ATOM 1234 CG2 VAL A 243 -19.538 10.353 13.647 -0.30 0.02 C ATOM 0 H VAL A 243 -17.966 10.862 9.952 -0.36 0.02 H new ATOM 0 HA VAL A 243 -19.511 8.753 11.304 1.00 0.02 H new ATOM 0 HB VAL A 243 -17.779 9.623 12.698 -0.10 0.02 H new ATOM 0 HG11 VAL A 243 -17.475 12.034 13.128 -0.30 0.02 H new ATOM 0 HG12 VAL A 243 -17.249 11.633 11.409 -0.30 0.02 H new ATOM 0 HG13 VAL A 243 -18.761 12.398 11.953 -0.30 0.02 H new ATOM 0 HG21 VAL A 243 -19.009 10.713 14.530 -0.30 0.02 H new ATOM 0 HG22 VAL A 243 -20.370 11.021 13.425 -0.30 0.02 H new ATOM 0 HG23 VAL A 243 -19.919 9.349 13.836 -0.30 0.02 H new