USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 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 Set 1.1: A 218 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 223 THR OG1 : rot 29:sc= 0.0827 USER MOD Set 2.1: A 165 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 173 THR OG1 : 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 -56:sc= -1.38 USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 ASN : amide:sc= -8.32! C(o=-8.3!,f=-8.7!) USER MOD Single : A 191 TYR OH : rot 180:sc= -1.92 USER MOD Single : A 193 TYR OH : rot 161:sc= -1.81! USER MOD Single : A 194 ASN : amide:sc= -0.333 X(o=-0.33,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+ 180:sc= 0 (180deg=0) USER MOD Single : A 199 SER OG : rot 180:sc= -0.305 USER MOD Single : A 207 SER OG : rot 160:sc= 0.035 USER MOD Single : A 209 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.4) USER MOD Single : A 210 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 213 GLN : amide:sc= -6.28 K(o=-6.3,f=-14!) USER MOD Single : A 217 ASN : amide:sc= -5.51! C(o=-5.5!,f=-6.9!) USER MOD Single : A 222 TYR OH : rot 30:sc= -1.08 USER MOD Single : A 225 TYR OH : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 238 GLN : amide:sc= -0.123 K(o=-0.12,f=-2.1!) USER MOD Single : A 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 160 17.232 6.430 -13.388 -0.36 0.02 N ATOM 26 CA ASP A 160 17.793 7.653 -12.820 1.00 0.01 C ATOM 27 C ASP A 160 18.786 7.327 -11.707 0.48 0.02 C ATOM 28 O ASP A 160 19.999 7.347 -11.918 -0.48 0.02 O ATOM 29 CB ASP A 160 16.678 8.561 -12.283 -0.45 0.01 C ATOM 30 CG ASP A 160 15.454 7.788 -11.821 0.49 0.01 C ATOM 31 OD1 ASP A 160 15.447 7.323 -10.660 -0.62 0.01 O ATOM 32 OD2 ASP A 160 14.504 7.648 -12.620 -0.62 0.01 O ATOM 0 HA ASP A 160 18.322 8.181 -13.613 1.00 0.01 H new ATOM 0 HB2 ASP A 160 17.065 9.149 -11.451 -0.45 0.01 H new ATOM 0 HB3 ASP A 160 16.384 9.265 -13.061 -0.45 0.01 H new ATOM 37 N VAL A 161 18.263 7.023 -10.525 -0.36 0.01 N ATOM 38 CA VAL A 161 19.093 6.686 -9.377 1.00 0.01 C ATOM 39 C VAL A 161 18.278 5.925 -8.339 0.48 0.01 C ATOM 40 O VAL A 161 17.120 6.266 -8.083 -0.48 0.01 O ATOM 41 CB VAL A 161 19.698 7.947 -8.727 -0.10 0.01 C ATOM 42 CG1 VAL A 161 18.600 8.875 -8.229 -0.30 0.02 C ATOM 43 CG2 VAL A 161 20.641 7.568 -7.595 -0.30 0.02 C ATOM 0 H VAL A 161 17.261 7.003 -10.337 -0.36 0.01 H new ATOM 0 HA VAL A 161 19.908 6.058 -9.737 1.00 0.01 H new ATOM 0 HB VAL A 161 20.274 8.479 -9.484 -0.10 0.01 H new ATOM 0 HG11 VAL A 161 19.049 9.758 -7.774 -0.30 0.02 H new ATOM 0 HG12 VAL A 161 17.972 9.178 -9.067 -0.30 0.02 H new ATOM 0 HG13 VAL A 161 17.992 8.355 -7.489 -0.30 0.02 H new ATOM 0 HG21 VAL A 161 21.057 8.472 -7.150 -0.30 0.02 H new ATOM 0 HG22 VAL A 161 20.093 7.009 -6.836 -0.30 0.02 H new ATOM 0 HG23 VAL A 161 21.450 6.951 -7.986 -0.30 0.02 H new ATOM 53 N ASP A 162 18.879 4.886 -7.755 -0.36 0.01 N ATOM 54 CA ASP A 162 18.198 4.067 -6.752 1.00 0.01 C ATOM 55 C ASP A 162 16.804 3.688 -7.240 0.48 0.01 C ATOM 56 O ASP A 162 15.898 4.520 -7.261 -0.48 0.02 O ATOM 57 CB ASP A 162 18.109 4.819 -5.423 -0.45 0.01 C ATOM 58 CG ASP A 162 18.547 3.967 -4.247 0.49 0.02 C ATOM 59 OD1 ASP A 162 18.506 2.724 -4.367 -0.62 0.02 O ATOM 60 OD2 ASP A 162 18.931 4.542 -3.207 -0.62 0.02 O ATOM 0 H ASP A 162 19.834 4.593 -7.959 -0.36 0.01 H new ATOM 0 HA ASP A 162 18.774 3.155 -6.597 1.00 0.01 H new ATOM 0 HB2 ASP A 162 18.731 5.713 -5.472 -0.45 0.01 H new ATOM 0 HB3 ASP A 162 17.083 5.152 -5.265 -0.45 0.01 H new ATOM 65 N GLU A 163 16.633 2.440 -7.655 -0.36 0.02 N ATOM 66 CA GLU A 163 15.346 1.999 -8.162 1.00 0.02 C ATOM 67 C GLU A 163 14.565 1.210 -7.112 0.48 0.02 C ATOM 68 O GLU A 163 14.031 1.792 -6.168 -0.48 0.02 O ATOM 69 CB GLU A 163 15.540 1.184 -9.448 -0.20 0.01 C ATOM 70 CG GLU A 163 15.795 2.034 -10.689 -0.45 0.01 C ATOM 71 CD GLU A 163 16.409 3.389 -10.372 0.49 0.01 C ATOM 72 OE1 GLU A 163 15.671 4.283 -9.903 -0.62 0.01 O ATOM 73 OE2 GLU A 163 17.628 3.554 -10.592 -0.62 0.01 O ATOM 0 H GLU A 163 17.361 1.725 -7.650 -0.36 0.02 H new ATOM 0 HA GLU A 163 14.751 2.881 -8.397 1.00 0.02 H new ATOM 0 HB2 GLU A 163 16.378 0.501 -9.310 -0.20 0.01 H new ATOM 0 HB3 GLU A 163 14.654 0.572 -9.615 -0.20 0.01 H new ATOM 0 HG2 GLU A 163 16.457 1.491 -11.363 -0.45 0.01 H new ATOM 0 HG3 GLU A 163 14.854 2.184 -11.218 -0.45 0.01 H new ATOM 80 N CYS A 164 14.490 -0.108 -7.273 -0.36 0.02 N ATOM 81 CA CYS A 164 13.762 -0.940 -6.328 1.00 0.02 C ATOM 82 C CYS A 164 14.564 -1.145 -5.046 0.48 0.02 C ATOM 83 O CYS A 164 14.013 -1.527 -4.013 -0.48 0.02 O ATOM 84 CB CYS A 164 13.417 -2.284 -6.966 0.20 0.02 C ATOM 85 SG CYS A 164 12.736 -2.148 -8.655 -0.20 0.02 S ATOM 0 H CYS A 164 14.922 -0.617 -8.044 -0.36 0.02 H new ATOM 0 HA CYS A 164 12.836 -0.428 -6.065 1.00 0.02 H new ATOM 0 HB2 CYS A 164 14.314 -2.902 -6.995 0.20 0.02 H new ATOM 0 HB3 CYS A 164 12.695 -2.800 -6.334 0.20 0.02 H new ATOM 90 N SER A 165 15.865 -0.873 -5.112 -0.36 0.02 N ATOM 91 CA SER A 165 16.733 -1.012 -3.949 1.00 0.02 C ATOM 92 C SER A 165 16.727 0.267 -3.111 0.48 0.02 C ATOM 93 O SER A 165 17.471 0.385 -2.137 -0.48 0.02 O ATOM 94 CB SER A 165 18.161 -1.341 -4.389 0.08 0.02 C ATOM 95 OG SER A 165 18.348 -2.740 -4.509 -0.68 0.02 O ATOM 0 H SER A 165 16.339 -0.556 -5.957 -0.36 0.02 H new ATOM 0 HA SER A 165 16.352 -1.829 -3.336 1.00 0.02 H new ATOM 0 HB2 SER A 165 18.371 -0.860 -5.344 0.08 0.02 H new ATOM 0 HB3 SER A 165 18.870 -0.937 -3.666 0.08 0.02 H new ATOM 0 HG SER A 165 19.268 -2.924 -4.793 -0.68 0.02 H new ATOM 101 N LEU A 166 15.881 1.223 -3.495 -0.36 0.02 N ATOM 102 CA LEU A 166 15.773 2.491 -2.783 1.00 0.02 C ATOM 103 C LEU A 166 15.451 2.263 -1.310 0.48 0.02 C ATOM 104 O LEU A 166 16.169 2.730 -0.425 -0.48 0.02 O ATOM 105 CB LEU A 166 14.690 3.359 -3.425 -0.20 0.02 C ATOM 106 CG LEU A 166 14.839 4.865 -3.191 -0.10 0.02 C ATOM 107 CD1 LEU A 166 14.807 5.614 -4.513 -0.30 0.02 C ATOM 108 CD2 LEU A 166 13.747 5.375 -2.263 -0.30 0.02 C ATOM 0 H LEU A 166 15.259 1.140 -4.299 -0.36 0.02 H new ATOM 0 HA LEU A 166 16.733 3.004 -2.849 1.00 0.02 H new ATOM 0 HB2 LEU A 166 14.687 3.173 -4.499 -0.20 0.02 H new ATOM 0 HB3 LEU A 166 13.719 3.042 -3.044 -0.20 0.02 H new ATOM 0 HG LEU A 166 15.803 5.044 -2.715 -0.10 0.02 H new ATOM 0 HD11 LEU A 166 14.914 6.683 -4.328 -0.30 0.02 H new ATOM 0 HD12 LEU A 166 15.626 5.271 -5.145 -0.30 0.02 H new ATOM 0 HD13 LEU A 166 13.858 5.426 -5.015 -0.30 0.02 H new ATOM 0 HD21 LEU A 166 13.871 6.447 -2.110 -0.30 0.02 H new ATOM 0 HD22 LEU A 166 12.771 5.183 -2.709 -0.30 0.02 H new ATOM 0 HD23 LEU A 166 13.815 4.861 -1.304 -0.30 0.02 H new ATOM 120 N LYS A 167 14.366 1.540 -1.056 -0.36 0.02 N ATOM 121 CA LYS A 167 13.941 1.245 0.308 1.00 0.02 C ATOM 122 C LYS A 167 13.511 -0.214 0.429 0.48 0.02 C ATOM 123 O LYS A 167 13.317 -0.896 -0.577 -0.48 0.02 O ATOM 124 CB LYS A 167 12.787 2.163 0.727 -0.20 0.02 C ATOM 125 CG LYS A 167 12.791 3.518 0.035 -0.20 0.02 C ATOM 126 CD LYS A 167 11.462 4.236 0.211 -0.20 0.02 C ATOM 127 CE LYS A 167 10.476 3.857 -0.883 0.30 5.02 C ATOM 128 NZ LYS A 167 9.161 4.533 -0.705 -0.81 0.02 N ATOM 0 H LYS A 167 13.763 1.146 -1.779 -0.36 0.02 H new ATOM 0 HA LYS A 167 14.788 1.422 0.971 1.00 0.02 H new ATOM 0 HB2 LYS A 167 11.843 1.662 0.516 -0.20 0.02 H new ATOM 0 HB3 LYS A 167 12.832 2.317 1.805 -0.20 0.02 H new ATOM 0 HG2 LYS A 167 13.595 4.133 0.440 -0.20 0.02 H new ATOM 0 HG3 LYS A 167 12.996 3.385 -1.027 -0.20 0.02 H new ATOM 0 HD2 LYS A 167 11.040 3.989 1.185 -0.20 0.02 H new ATOM 0 HD3 LYS A 167 11.625 5.314 0.199 -0.20 0.02 H new ATOM 0 HE2 LYS A 167 10.892 4.123 -1.855 0.30 5.02 H new ATOM 0 HE3 LYS A 167 10.332 2.777 -0.883 0.30 5.02 H new ATOM 0 HZ1 LYS A 167 8.518 4.248 -1.471 -0.81 0.02 H new ATOM 0 HZ2 LYS A 167 8.751 4.260 0.211 -0.81 0.02 H new ATOM 0 HZ3 LYS A 167 9.294 5.564 -0.731 -0.81 0.02 H new ATOM 142 N PRO A 168 13.355 -0.717 1.666 -0.36 0.02 N ATOM 143 CA PRO A 168 12.947 -2.099 1.909 1.00 0.02 C ATOM 144 C PRO A 168 11.433 -2.283 1.845 0.48 0.02 C ATOM 145 O PRO A 168 10.844 -2.948 2.697 -0.48 0.02 O ATOM 146 CB PRO A 168 13.456 -2.351 3.325 -0.20 0.02 C ATOM 147 CG PRO A 168 13.360 -1.024 3.998 -0.20 0.02 C ATOM 148 CD PRO A 168 13.568 0.021 2.927 0.06 0.02 C ATOM 0 HA PRO A 168 13.341 -2.786 1.160 1.00 0.02 H new ATOM 0 HB2 PRO A 168 12.852 -3.100 3.837 -0.20 0.02 H new ATOM 0 HB3 PRO A 168 14.482 -2.719 3.318 -0.20 0.02 H new ATOM 0 HG2 PRO A 168 12.388 -0.901 4.475 -0.20 0.02 H new ATOM 0 HG3 PRO A 168 14.113 -0.931 4.781 -0.20 0.02 H new ATOM 0 HD2 PRO A 168 12.863 0.846 3.031 0.06 0.02 H new ATOM 0 HD3 PRO A 168 14.569 0.449 2.975 0.06 0.02 H new ATOM 156 N SER A 169 10.807 -1.690 0.832 -0.36 0.02 N ATOM 157 CA SER A 169 9.363 -1.791 0.663 1.00 0.02 C ATOM 158 C SER A 169 8.951 -1.471 -0.771 0.48 0.02 C ATOM 159 O SER A 169 7.832 -1.020 -1.018 -0.48 0.02 O ATOM 160 CB SER A 169 8.649 -0.846 1.632 0.08 0.02 C ATOM 161 OG SER A 169 7.331 -1.291 1.901 -0.68 0.02 O ATOM 0 H SER A 169 11.278 -1.135 0.117 -0.36 0.02 H new ATOM 0 HA SER A 169 9.072 -2.818 0.881 1.00 0.02 H new ATOM 0 HB2 SER A 169 9.212 -0.782 2.563 0.08 0.02 H new ATOM 0 HB3 SER A 169 8.618 0.158 1.209 0.08 0.02 H new ATOM 0 HG SER A 169 6.840 -1.387 1.058 -0.68 0.02 H new ATOM 167 N ILE A 170 9.858 -1.707 -1.716 -0.36 0.02 N ATOM 168 CA ILE A 170 9.576 -1.443 -3.122 1.00 0.02 C ATOM 169 C ILE A 170 9.042 -2.688 -3.818 0.48 0.02 C ATOM 170 O ILE A 170 7.836 -2.934 -3.838 -0.48 0.02 O ATOM 171 CB ILE A 170 10.831 -0.976 -3.881 -0.10 0.02 C ATOM 172 CG1 ILE A 170 11.410 0.294 -3.252 -0.20 0.02 C ATOM 173 CG2 ILE A 170 10.532 -0.780 -5.367 -0.30 0.02 C ATOM 174 CD1 ILE A 170 10.668 1.551 -3.639 -0.30 0.02 C ATOM 0 H ILE A 170 10.790 -2.079 -1.534 -0.36 0.02 H new ATOM 0 HA ILE A 170 8.827 -0.652 -3.138 1.00 0.02 H new ATOM 0 HB ILE A 170 11.587 -1.757 -3.799 -0.10 0.02 H new ATOM 0 HG12 ILE A 170 11.394 0.192 -2.167 -0.20 0.02 H new ATOM 0 HG13 ILE A 170 12.454 0.393 -3.548 -0.20 0.02 H new ATOM 0 HG21 ILE A 170 11.436 -0.450 -5.880 -0.30 0.02 H new ATOM 0 HG22 ILE A 170 10.194 -1.723 -5.798 -0.30 0.02 H new ATOM 0 HG23 ILE A 170 9.752 -0.027 -5.485 -0.30 0.02 H new ATOM 0 HD11 ILE A 170 11.133 2.411 -3.157 -0.30 0.02 H new ATOM 0 HD12 ILE A 170 10.706 1.677 -4.721 -0.30 0.02 H new ATOM 0 HD13 ILE A 170 9.629 1.473 -3.319 -0.30 0.02 H new ATOM 186 N CYS A 171 9.954 -3.461 -4.405 -0.36 0.02 N ATOM 187 CA CYS A 171 9.583 -4.660 -5.116 1.00 0.02 C ATOM 188 C CYS A 171 10.774 -5.599 -5.265 0.48 0.02 C ATOM 189 O CYS A 171 10.887 -6.325 -6.253 -0.48 0.02 O ATOM 190 CB CYS A 171 8.998 -4.283 -6.477 0.20 0.02 C ATOM 191 SG CYS A 171 7.213 -4.615 -6.624 -0.20 0.02 S ATOM 0 H CYS A 171 10.956 -3.268 -4.396 -0.36 0.02 H new ATOM 0 HA CYS A 171 8.824 -5.194 -4.543 1.00 0.02 H new ATOM 0 HB2 CYS A 171 9.178 -3.223 -6.659 0.20 0.02 H new ATOM 0 HB3 CYS A 171 9.526 -4.834 -7.255 0.20 0.02 H new ATOM 196 N GLY A 172 11.655 -5.582 -4.264 -0.36 0.02 N ATOM 197 CA GLY A 172 12.831 -6.437 -4.274 -0.10 0.02 C ATOM 198 C GLY A 172 13.489 -6.522 -5.633 0.48 0.02 C ATOM 199 O GLY A 172 13.732 -7.618 -6.137 -0.48 0.02 O ATOM 0 H GLY A 172 11.572 -4.986 -3.441 -0.36 0.02 H new ATOM 0 HA2 GLY A 172 13.553 -6.060 -3.550 -0.10 0.02 H new ATOM 0 HA3 GLY A 172 12.548 -7.439 -3.950 -0.10 0.02 H new ATOM 203 N THR A 173 13.777 -5.360 -6.222 -0.36 0.02 N ATOM 204 CA THR A 173 14.408 -5.279 -7.533 1.00 0.02 C ATOM 205 C THR A 173 14.132 -6.533 -8.359 0.48 0.02 C ATOM 206 O THR A 173 15.046 -7.163 -8.892 -0.48 0.02 O ATOM 207 CB THR A 173 15.907 -5.043 -7.369 0.18 0.02 C ATOM 208 OG1 THR A 173 16.205 -4.606 -6.054 -0.68 0.02 O ATOM 209 CG2 THR A 173 16.466 -4.011 -8.330 -0.30 0.02 C ATOM 0 H THR A 173 13.578 -4.452 -5.801 -0.36 0.02 H new ATOM 0 HA THR A 173 13.979 -4.437 -8.076 1.00 0.02 H new ATOM 0 HB THR A 173 16.372 -6.005 -7.584 0.18 0.02 H new ATOM 0 HG1 THR A 173 17.171 -4.462 -5.968 -0.68 0.02 H new ATOM 0 HG21 THR A 173 17.536 -3.894 -8.157 -0.30 0.02 H new ATOM 0 HG22 THR A 173 16.298 -4.340 -9.355 -0.30 0.02 H new ATOM 0 HG23 THR A 173 15.966 -3.056 -8.169 -0.30 0.02 H new ATOM 217 N ALA A 174 12.850 -6.882 -8.447 -0.36 0.02 N ATOM 218 CA ALA A 174 12.410 -8.054 -9.194 1.00 0.02 C ATOM 219 C ALA A 174 12.386 -7.743 -10.683 0.48 0.02 C ATOM 220 O ALA A 174 13.203 -8.244 -11.456 -0.48 0.02 O ATOM 221 CB ALA A 174 11.018 -8.474 -8.716 -0.30 0.02 C ATOM 0 H ALA A 174 12.092 -6.362 -8.004 -0.36 0.02 H new ATOM 0 HA ALA A 174 13.107 -8.874 -9.022 1.00 0.02 H new ATOM 0 HB1 ALA A 174 10.690 -9.350 -9.275 -0.30 0.02 H new ATOM 0 HB2 ALA A 174 11.055 -8.715 -7.654 -0.30 0.02 H new ATOM 0 HB3 ALA A 174 10.316 -7.656 -8.878 -0.30 0.02 H new ATOM 227 N VAL A 175 11.453 -6.891 -11.058 -0.36 0.02 N ATOM 228 CA VAL A 175 11.287 -6.452 -12.434 1.00 0.02 C ATOM 229 C VAL A 175 10.518 -5.144 -12.424 0.48 0.02 C ATOM 230 O VAL A 175 9.582 -4.942 -13.198 -0.48 0.02 O ATOM 231 CB VAL A 175 10.526 -7.489 -13.285 -0.10 0.02 C ATOM 232 CG1 VAL A 175 10.446 -7.037 -14.735 -0.30 0.02 C ATOM 233 CG2 VAL A 175 11.183 -8.857 -13.182 -0.30 0.02 C ATOM 0 H VAL A 175 10.781 -6.478 -10.411 -0.36 0.02 H new ATOM 0 HA VAL A 175 12.273 -6.327 -12.881 1.00 0.02 H new ATOM 0 HB VAL A 175 9.511 -7.571 -12.897 -0.10 0.02 H new ATOM 0 HG11 VAL A 175 9.906 -7.782 -15.319 -0.30 0.02 H new ATOM 0 HG12 VAL A 175 9.922 -6.083 -14.790 -0.30 0.02 H new ATOM 0 HG13 VAL A 175 11.453 -6.922 -15.136 -0.30 0.02 H new ATOM 0 HG21 VAL A 175 10.630 -9.573 -13.790 -0.30 0.02 H new ATOM 0 HG22 VAL A 175 12.211 -8.795 -13.540 -0.30 0.02 H new ATOM 0 HG23 VAL A 175 11.180 -9.185 -12.142 -0.30 0.02 H new ATOM 243 N CYS A 176 10.902 -4.276 -11.495 -0.36 0.02 N ATOM 244 CA CYS A 176 10.237 -3.002 -11.316 1.00 0.02 C ATOM 245 C CYS A 176 11.021 -1.832 -11.891 0.48 0.02 C ATOM 246 O CYS A 176 12.205 -1.653 -11.607 -0.48 0.02 O ATOM 247 CB CYS A 176 9.985 -2.742 -9.825 0.20 0.02 C ATOM 248 SG CYS A 176 11.206 -3.484 -8.683 -0.20 0.02 S ATOM 0 H CYS A 176 11.677 -4.438 -10.852 -0.36 0.02 H new ATOM 0 HA CYS A 176 9.296 -3.070 -11.862 1.00 0.02 H new ATOM 0 HB2 CYS A 176 9.966 -1.665 -9.659 0.20 0.02 H new ATOM 0 HB3 CYS A 176 8.996 -3.122 -9.569 0.20 0.02 H new ATOM 253 N LYS A 177 10.317 -1.001 -12.649 -0.36 0.02 N ATOM 254 CA LYS A 177 10.893 0.202 -13.214 1.00 0.02 C ATOM 255 C LYS A 177 10.654 1.333 -12.225 0.48 0.02 C ATOM 256 O LYS A 177 9.545 1.860 -12.123 -0.48 0.02 O ATOM 257 CB LYS A 177 10.255 0.530 -14.565 -0.20 0.02 C ATOM 258 CG LYS A 177 10.858 -0.243 -15.727 -0.20 0.02 C ATOM 259 CD LYS A 177 10.721 0.519 -17.034 -0.20 0.02 C ATOM 260 CE LYS A 177 9.263 0.766 -17.387 0.30 5.02 C ATOM 261 NZ LYS A 177 8.742 -0.251 -18.341 -0.81 0.02 N ATOM 0 H LYS A 177 9.335 -1.145 -12.886 -0.36 0.02 H new ATOM 0 HA LYS A 177 11.960 0.062 -13.386 1.00 0.02 H new ATOM 0 HB2 LYS A 177 9.187 0.318 -14.514 -0.20 0.02 H new ATOM 0 HB3 LYS A 177 10.359 1.598 -14.757 -0.20 0.02 H new ATOM 0 HG2 LYS A 177 11.912 -0.439 -15.527 -0.20 0.02 H new ATOM 0 HG3 LYS A 177 10.365 -1.211 -15.816 -0.20 0.02 H new ATOM 0 HD2 LYS A 177 11.244 1.472 -16.957 -0.20 0.02 H new ATOM 0 HD3 LYS A 177 11.200 -0.043 -17.836 -0.20 0.02 H new ATOM 0 HE2 LYS A 177 8.662 0.752 -16.478 0.30 5.02 H new ATOM 0 HE3 LYS A 177 9.158 1.760 -17.823 0.30 5.02 H new ATOM 0 HZ1 LYS A 177 7.745 -0.047 -18.556 -0.81 0.02 H new ATOM 0 HZ2 LYS A 177 9.299 -0.221 -19.219 -0.81 0.02 H new ATOM 0 HZ3 LYS A 177 8.818 -1.197 -17.916 -0.81 0.02 H new ATOM 275 N ASN A 178 11.681 1.662 -11.457 -0.36 0.02 N ATOM 276 CA ASN A 178 11.566 2.692 -10.437 1.00 0.01 C ATOM 277 C ASN A 178 11.753 4.088 -11.007 0.48 0.02 C ATOM 278 O ASN A 178 12.289 4.269 -12.100 -0.48 0.02 O ATOM 279 CB ASN A 178 12.590 2.448 -9.335 -0.20 0.01 C ATOM 280 CG ASN A 178 12.412 3.384 -8.154 0.48 0.01 C ATOM 281 OD1 ASN A 178 12.864 4.530 -8.182 -0.48 0.01 O ATOM 282 ND2 ASN A 178 11.753 2.899 -7.108 -0.52 0.01 N ATOM 0 H ASN A 178 12.603 1.231 -11.521 -0.36 0.02 H new ATOM 0 HA ASN A 178 10.557 2.634 -10.029 1.00 0.01 H new ATOM 0 HB2 ASN A 178 12.510 1.417 -8.992 -0.20 0.01 H new ATOM 0 HB3 ASN A 178 13.593 2.571 -9.743 -0.20 0.01 H new ATOM 0 HD21 ASN A 178 11.604 3.482 -6.284 -0.52 0.01 H new ATOM 0 HD22 ASN A 178 11.396 1.944 -7.128 -0.52 0.01 H new ATOM 289 N ILE A 179 11.306 5.071 -10.238 -0.36 0.01 N ATOM 290 CA ILE A 179 11.410 6.467 -10.620 1.00 0.01 C ATOM 291 C ILE A 179 11.962 7.282 -9.450 0.48 0.01 C ATOM 292 O ILE A 179 12.120 6.751 -8.348 -0.48 0.01 O ATOM 293 CB ILE A 179 10.034 7.009 -11.058 -0.10 0.01 C ATOM 294 CG1 ILE A 179 9.005 6.822 -9.938 -0.20 0.02 C ATOM 295 CG2 ILE A 179 9.581 6.300 -12.327 -0.30 0.02 C ATOM 296 CD1 ILE A 179 7.570 6.990 -10.395 -0.30 5.62 C ATOM 0 H ILE A 179 10.862 4.920 -9.332 -0.36 0.01 H new ATOM 0 HA ILE A 179 12.094 6.555 -11.464 1.00 0.01 H new ATOM 0 HB ILE A 179 10.121 8.076 -11.264 -0.10 0.01 H new ATOM 0 HG12 ILE A 179 9.126 5.828 -9.508 -0.20 0.02 H new ATOM 0 HG13 ILE A 179 9.211 7.540 -9.144 -0.20 0.02 H new ATOM 0 HG21 ILE A 179 8.609 6.686 -12.632 -0.30 0.02 H new ATOM 0 HG22 ILE A 179 10.307 6.476 -13.121 -0.30 0.02 H new ATOM 0 HG23 ILE A 179 9.503 5.229 -12.138 -0.30 0.02 H new ATOM 0 HD11 ILE A 179 6.899 6.843 -9.549 -0.30 5.62 H new ATOM 0 HD12 ILE A 179 7.432 7.993 -10.798 -0.30 5.62 H new ATOM 0 HD13 ILE A 179 7.346 6.254 -11.167 -0.30 5.62 H new ATOM 308 N PRO A 180 12.287 8.573 -9.663 -0.36 0.01 N ATOM 309 CA PRO A 180 12.841 9.431 -8.612 1.00 0.01 C ATOM 310 C PRO A 180 12.190 9.219 -7.247 0.48 0.01 C ATOM 311 O PRO A 180 12.818 9.447 -6.212 -0.48 0.02 O ATOM 312 CB PRO A 180 12.556 10.831 -9.141 -0.20 0.01 C ATOM 313 CG PRO A 180 12.665 10.687 -10.620 -0.20 0.02 C ATOM 314 CD PRO A 180 12.165 9.300 -10.945 0.06 0.01 C ATOM 0 HA PRO A 180 13.896 9.224 -8.431 1.00 0.01 H new ATOM 0 HB2 PRO A 180 11.565 11.175 -8.846 -0.20 0.01 H new ATOM 0 HB3 PRO A 180 13.273 11.556 -8.757 -0.20 0.01 H new ATOM 0 HG2 PRO A 180 12.070 11.445 -11.130 -0.20 0.02 H new ATOM 0 HG3 PRO A 180 13.696 10.816 -10.949 -0.20 0.02 H new ATOM 0 HD2 PRO A 180 11.134 9.319 -11.298 0.06 0.01 H new ATOM 0 HD3 PRO A 180 12.762 8.833 -11.728 0.06 0.01 H new ATOM 322 N GLY A 181 10.936 8.785 -7.244 -0.36 0.02 N ATOM 323 CA GLY A 181 10.244 8.556 -5.988 -0.10 0.02 C ATOM 324 C GLY A 181 9.041 7.638 -6.118 0.48 0.02 C ATOM 325 O GLY A 181 7.944 7.984 -5.678 -0.48 0.02 O ATOM 0 H GLY A 181 10.388 8.588 -8.082 -0.36 0.02 H new ATOM 0 HA2 GLY A 181 10.943 8.127 -5.270 -0.10 0.02 H new ATOM 0 HA3 GLY A 181 9.918 9.514 -5.582 -0.10 0.02 H new ATOM 329 N ASP A 182 9.240 6.462 -6.710 -0.36 0.02 N ATOM 330 CA ASP A 182 8.156 5.499 -6.875 1.00 0.02 C ATOM 331 C ASP A 182 8.643 4.270 -7.633 0.48 0.02 C ATOM 332 O ASP A 182 9.778 4.233 -8.108 -0.48 0.02 O ATOM 333 CB ASP A 182 6.972 6.138 -7.606 -0.45 0.02 C ATOM 334 CG ASP A 182 5.712 6.152 -6.762 0.49 0.02 C ATOM 335 OD1 ASP A 182 5.315 5.075 -6.270 -0.62 0.02 O ATOM 336 OD2 ASP A 182 5.122 7.240 -6.594 -0.62 0.02 O ATOM 0 H ASP A 182 10.139 6.155 -7.082 -0.36 0.02 H new ATOM 0 HA ASP A 182 7.824 5.188 -5.885 1.00 0.02 H new ATOM 0 HB2 ASP A 182 7.230 7.159 -7.886 -0.45 0.02 H new ATOM 0 HB3 ASP A 182 6.781 5.592 -8.530 -0.45 0.02 H new ATOM 341 N PHE A 183 7.785 3.263 -7.737 -0.36 0.02 N ATOM 342 CA PHE A 183 8.147 2.033 -8.433 1.00 0.02 C ATOM 343 C PHE A 183 6.959 1.383 -9.134 0.48 0.02 C ATOM 344 O PHE A 183 5.818 1.480 -8.683 -0.48 0.02 O ATOM 345 CB PHE A 183 8.769 1.017 -7.451 -0.16 0.02 C ATOM 346 CG PHE A 183 7.771 0.318 -6.544 0.03 0.02 C ATOM 347 CD1 PHE A 183 6.775 -0.504 -7.063 -0.16 0.02 C ATOM 348 CD2 PHE A 183 7.824 0.495 -5.170 -0.16 0.02 C ATOM 349 CE1 PHE A 183 5.863 -1.130 -6.231 -0.15 0.02 C ATOM 350 CE2 PHE A 183 6.911 -0.126 -4.337 -0.15 0.02 C ATOM 351 CZ PHE A 183 5.931 -0.938 -4.868 -0.15 0.02 C ATOM 0 H PHE A 183 6.841 3.272 -7.352 -0.36 0.02 H new ATOM 0 HA PHE A 183 8.875 2.314 -9.194 1.00 0.02 H new ATOM 0 HB2 PHE A 183 9.309 0.263 -8.023 -0.16 0.02 H new ATOM 0 HB3 PHE A 183 9.503 1.533 -6.832 -0.16 0.02 H new ATOM 0 HD1 PHE A 183 6.713 -0.656 -8.130 -0.16 0.02 H new ATOM 0 HD2 PHE A 183 8.589 1.127 -4.744 -0.16 0.02 H new ATOM 0 HE1 PHE A 183 5.099 -1.768 -6.650 -0.15 0.02 H new ATOM 0 HE2 PHE A 183 6.966 0.025 -3.269 -0.15 0.02 H new ATOM 0 HZ PHE A 183 5.218 -1.422 -4.217 -0.15 0.02 H new ATOM 361 N GLU A 184 7.265 0.662 -10.206 -0.36 0.02 N ATOM 362 CA GLU A 184 6.266 -0.090 -10.955 1.00 0.02 C ATOM 363 C GLU A 184 6.832 -1.470 -11.242 0.48 0.02 C ATOM 364 O GLU A 184 7.904 -1.589 -11.819 -0.48 0.02 O ATOM 365 CB GLU A 184 5.895 0.603 -12.259 -0.20 0.02 C ATOM 366 CG GLU A 184 5.029 1.836 -12.068 -0.45 0.02 C ATOM 367 CD GLU A 184 5.842 3.114 -11.996 0.49 0.02 C ATOM 368 OE1 GLU A 184 6.969 3.132 -12.533 -0.62 0.02 O ATOM 369 OE2 GLU A 184 5.351 4.097 -11.401 -0.62 0.02 O ATOM 0 H GLU A 184 8.211 0.582 -10.580 -0.36 0.02 H new ATOM 0 HA GLU A 184 5.355 -0.160 -10.360 1.00 0.02 H new ATOM 0 HB2 GLU A 184 6.808 0.888 -12.782 -0.20 0.02 H new ATOM 0 HB3 GLU A 184 5.369 -0.105 -12.900 -0.20 0.02 H new ATOM 0 HG2 GLU A 184 4.319 1.908 -12.892 -0.45 0.02 H new ATOM 0 HG3 GLU A 184 4.447 1.728 -11.153 -0.45 0.02 H new ATOM 376 N CYS A 185 6.138 -2.507 -10.807 -0.36 0.02 N ATOM 377 CA CYS A 185 6.631 -3.872 -10.995 1.00 0.02 C ATOM 378 C CYS A 185 5.633 -4.758 -11.725 0.48 0.02 C ATOM 379 O CYS A 185 4.520 -4.342 -12.046 -0.48 0.02 O ATOM 380 CB CYS A 185 6.978 -4.511 -9.642 0.20 0.02 C ATOM 381 SG CYS A 185 6.637 -3.464 -8.190 -0.20 0.02 S ATOM 0 H CYS A 185 5.241 -2.439 -10.326 -0.36 0.02 H new ATOM 0 HA CYS A 185 7.526 -3.795 -11.613 1.00 0.02 H new ATOM 0 HB2 CYS A 185 6.418 -5.441 -9.541 0.20 0.02 H new ATOM 0 HB3 CYS A 185 8.036 -4.775 -9.642 0.20 0.02 H new ATOM 386 N GLU A 186 6.051 -5.998 -11.960 -0.36 0.02 N ATOM 387 CA GLU A 186 5.214 -6.985 -12.629 1.00 0.02 C ATOM 388 C GLU A 186 4.286 -7.662 -11.624 0.48 0.02 C ATOM 389 O GLU A 186 3.425 -8.460 -11.996 -0.48 0.02 O ATOM 390 CB GLU A 186 6.085 -8.034 -13.317 -0.20 0.02 C ATOM 391 CG GLU A 186 5.498 -8.554 -14.619 -0.45 0.02 C ATOM 392 CD GLU A 186 6.148 -9.846 -15.077 0.49 0.02 C ATOM 393 OE1 GLU A 186 7.354 -10.031 -14.809 -0.62 0.02 O ATOM 394 OE2 GLU A 186 5.451 -10.672 -15.703 -0.62 0.02 O ATOM 0 H GLU A 186 6.973 -6.344 -11.694 -0.36 0.02 H new ATOM 0 HA GLU A 186 4.610 -6.475 -13.380 1.00 0.02 H new ATOM 0 HB2 GLU A 186 7.067 -7.605 -13.517 -0.20 0.02 H new ATOM 0 HB3 GLU A 186 6.236 -8.872 -12.636 -0.20 0.02 H new ATOM 0 HG2 GLU A 186 4.428 -8.715 -14.492 -0.45 0.02 H new ATOM 0 HG3 GLU A 186 5.616 -7.797 -15.394 -0.45 0.02 H new ATOM 401 N CYS A 187 4.467 -7.331 -10.348 -0.36 0.02 N ATOM 402 CA CYS A 187 3.651 -7.894 -9.284 1.00 0.02 C ATOM 403 C CYS A 187 2.214 -7.387 -9.414 0.48 0.02 C ATOM 404 O CYS A 187 1.981 -6.181 -9.338 -0.48 0.02 O ATOM 405 CB CYS A 187 4.241 -7.508 -7.914 0.20 0.02 C ATOM 406 SG CYS A 187 5.121 -8.865 -7.081 -0.20 0.02 S ATOM 0 H CYS A 187 5.177 -6.672 -10.028 -0.36 0.02 H new ATOM 0 HA CYS A 187 3.646 -8.981 -9.365 1.00 0.02 H new ATOM 0 HB2 CYS A 187 4.927 -6.671 -8.048 0.20 0.02 H new ATOM 0 HB3 CYS A 187 3.435 -7.160 -7.268 0.20 0.02 H new ATOM 411 N PRO A 188 1.227 -8.298 -9.625 -0.36 0.02 N ATOM 412 CA PRO A 188 -0.185 -7.935 -9.771 1.00 0.02 C ATOM 413 C PRO A 188 -0.525 -6.676 -8.991 0.48 0.02 C ATOM 414 O PRO A 188 0.065 -6.426 -7.945 -0.48 0.02 O ATOM 415 CB PRO A 188 -0.887 -9.156 -9.191 -0.20 0.02 C ATOM 416 CG PRO A 188 0.005 -10.308 -9.543 -0.20 0.02 C ATOM 417 CD PRO A 188 1.403 -9.755 -9.739 0.06 0.02 C ATOM 0 HA PRO A 188 -0.473 -7.707 -10.797 1.00 0.02 H new ATOM 0 HB2 PRO A 188 -1.011 -9.066 -8.112 -0.20 0.02 H new ATOM 0 HB3 PRO A 188 -1.882 -9.281 -9.617 -0.20 0.02 H new ATOM 0 HG2 PRO A 188 -0.004 -11.057 -8.751 -0.20 0.02 H new ATOM 0 HG3 PRO A 188 -0.344 -10.800 -10.451 -0.20 0.02 H new ATOM 0 HD2 PRO A 188 2.092 -10.134 -8.984 0.06 0.02 H new ATOM 0 HD3 PRO A 188 1.810 -10.033 -10.711 0.06 0.02 H new ATOM 425 N GLU A 189 -1.461 -5.870 -9.488 -0.36 0.02 N ATOM 426 CA GLU A 189 -1.816 -4.632 -8.798 1.00 0.02 C ATOM 427 C GLU A 189 -0.554 -3.963 -8.293 0.48 0.02 C ATOM 428 O GLU A 189 0.528 -4.199 -8.834 -0.48 0.02 O ATOM 429 CB GLU A 189 -2.783 -4.908 -7.639 -0.20 0.02 C ATOM 430 CG GLU A 189 -3.769 -6.035 -7.909 -0.45 0.02 C ATOM 431 CD GLU A 189 -5.085 -5.535 -8.472 0.49 0.02 C ATOM 432 OE1 GLU A 189 -5.080 -4.490 -9.156 -0.62 0.02 O ATOM 433 OE2 GLU A 189 -6.121 -6.189 -8.229 -0.62 0.02 O ATOM 0 H GLU A 189 -1.979 -6.046 -10.349 -0.36 0.02 H new ATOM 0 HA GLU A 189 -2.322 -3.967 -9.498 1.00 0.02 H new ATOM 0 HB2 GLU A 189 -2.205 -5.151 -6.747 -0.20 0.02 H new ATOM 0 HB3 GLU A 189 -3.340 -3.997 -7.419 -0.20 0.02 H new ATOM 0 HG2 GLU A 189 -3.324 -6.742 -8.609 -0.45 0.02 H new ATOM 0 HG3 GLU A 189 -3.957 -6.578 -6.983 -0.45 0.02 H new ATOM 440 N GLY A 190 -0.655 -3.180 -7.236 -0.36 0.02 N ATOM 441 CA GLY A 190 0.530 -2.589 -6.694 -0.10 0.02 C ATOM 442 C GLY A 190 1.154 -3.559 -5.726 0.48 0.02 C ATOM 443 O GLY A 190 1.678 -3.162 -4.698 -0.48 0.02 O ATOM 0 H GLY A 190 -1.524 -2.949 -6.754 -0.36 0.02 H new ATOM 0 HA2 GLY A 190 1.232 -2.348 -7.493 -0.10 0.02 H new ATOM 0 HA3 GLY A 190 0.289 -1.654 -6.189 -0.10 0.02 H new ATOM 447 N TYR A 191 1.098 -4.851 -6.072 -0.36 0.02 N ATOM 448 CA TYR A 191 1.661 -5.895 -5.226 1.00 0.02 C ATOM 449 C TYR A 191 3.120 -5.631 -4.928 0.48 0.02 C ATOM 450 O TYR A 191 3.894 -5.200 -5.783 -0.48 0.02 O ATOM 451 CB TYR A 191 1.520 -7.273 -5.880 -0.20 0.02 C ATOM 452 CG TYR A 191 0.187 -7.944 -5.636 1.00 0.02 C ATOM 453 CD1 TYR A 191 -0.985 -7.204 -5.558 -0.14 0.02 C ATOM 454 CD2 TYR A 191 0.103 -9.323 -5.488 -0.14 0.02 C ATOM 455 CE1 TYR A 191 -2.203 -7.818 -5.339 -0.14 0.02 C ATOM 456 CE2 TYR A 191 -1.111 -9.945 -5.271 -0.14 0.02 C ATOM 457 CZ TYR A 191 -2.261 -9.188 -5.197 0.20 0.02 C ATOM 458 OH TYR A 191 -3.471 -9.804 -4.980 -0.60 0.02 O ATOM 0 H TYR A 191 0.668 -5.192 -6.932 -0.36 0.02 H new ATOM 0 HA TYR A 191 1.100 -5.885 -4.291 1.00 0.02 H new ATOM 0 HB2 TYR A 191 1.670 -7.169 -6.955 -0.20 0.02 H new ATOM 0 HB3 TYR A 191 2.313 -7.921 -5.508 -0.20 0.02 H new ATOM 0 HD1 TYR A 191 -0.944 -6.131 -5.670 -0.14 0.02 H new ATOM 0 HD2 TYR A 191 1.002 -9.919 -5.544 -0.14 0.02 H new ATOM 0 HE1 TYR A 191 -3.105 -7.228 -5.279 -0.14 0.02 H new ATOM 0 HE2 TYR A 191 -1.159 -11.018 -5.160 -0.14 0.02 H new ATOM 0 HH TYR A 191 -3.336 -10.772 -4.903 -0.60 0.02 H new ATOM 468 N ARG A 192 3.467 -5.914 -3.698 -0.36 0.02 N ATOM 469 CA ARG A 192 4.829 -5.743 -3.212 1.00 0.02 C ATOM 470 C ARG A 192 5.622 -7.038 -3.376 0.48 0.02 C ATOM 471 O ARG A 192 5.125 -8.124 -3.085 -0.48 0.02 O ATOM 472 CB ARG A 192 4.822 -5.315 -1.742 -0.20 0.02 C ATOM 473 CG ARG A 192 5.117 -3.839 -1.538 -0.20 0.02 C ATOM 474 CD ARG A 192 5.151 -3.478 -0.061 -0.10 0.02 C ATOM 475 NE ARG A 192 6.409 -3.869 0.569 -0.60 0.02 N ATOM 476 CZ ARG A 192 6.591 -3.932 1.886 0.60 0.02 C ATOM 477 NH1 ARG A 192 5.599 -3.629 2.715 -0.60 0.02 N ATOM 478 NH2 ARG A 192 7.767 -4.298 2.376 -0.60 0.02 N ATOM 0 H ARG A 192 2.818 -6.271 -2.997 -0.36 0.02 H new ATOM 0 HA ARG A 192 5.308 -4.962 -3.803 1.00 0.02 H new ATOM 0 HB2 ARG A 192 3.848 -5.546 -1.310 -0.20 0.02 H new ATOM 0 HB3 ARG A 192 5.560 -5.903 -1.197 -0.20 0.02 H new ATOM 0 HG2 ARG A 192 6.074 -3.591 -1.997 -0.20 0.02 H new ATOM 0 HG3 ARG A 192 4.358 -3.242 -2.043 -0.20 0.02 H new ATOM 0 HD2 ARG A 192 5.007 -2.404 0.053 -0.10 0.02 H new ATOM 0 HD3 ARG A 192 4.322 -3.967 0.451 -0.10 0.02 H new ATOM 0 HE ARG A 192 7.195 -4.108 -0.036 -0.60 0.02 H new ATOM 0 HH11 ARG A 192 4.692 -3.346 2.343 -0.60 0.02 H new ATOM 0 HH12 ARG A 192 5.744 -3.679 3.723 -0.60 0.02 H new ATOM 0 HH21 ARG A 192 8.533 -4.531 1.744 -0.60 0.02 H new ATOM 0 HH22 ARG A 192 7.906 -4.346 3.385 -0.60 0.02 H new ATOM 492 N TYR A 193 6.859 -6.914 -3.837 -0.36 0.02 N ATOM 493 CA TYR A 193 7.736 -8.054 -4.037 1.00 0.02 C ATOM 494 C TYR A 193 8.891 -7.994 -3.047 0.48 0.02 C ATOM 495 O TYR A 193 9.218 -6.926 -2.529 -0.48 0.02 O ATOM 496 CB TYR A 193 8.261 -8.018 -5.467 -0.20 0.02 C ATOM 497 CG TYR A 193 9.123 -9.191 -5.835 1.00 0.02 C ATOM 498 CD1 TYR A 193 10.489 -9.158 -5.619 -0.14 0.02 C ATOM 499 CD2 TYR A 193 8.571 -10.320 -6.413 -0.14 0.02 C ATOM 500 CE1 TYR A 193 11.291 -10.225 -5.973 -0.14 0.02 C ATOM 501 CE2 TYR A 193 9.358 -11.396 -6.766 -0.14 0.02 C ATOM 502 CZ TYR A 193 10.720 -11.345 -6.546 0.20 0.02 C ATOM 503 OH TYR A 193 11.514 -12.411 -6.911 -0.60 0.02 O ATOM 0 H TYR A 193 7.281 -6.018 -4.082 -0.36 0.02 H new ATOM 0 HA TYR A 193 7.189 -8.983 -3.872 1.00 0.02 H new ATOM 0 HB2 TYR A 193 7.414 -7.974 -6.152 -0.20 0.02 H new ATOM 0 HB3 TYR A 193 8.834 -7.102 -5.609 -0.20 0.02 H new ATOM 0 HD1 TYR A 193 10.935 -8.285 -5.167 -0.14 0.02 H new ATOM 0 HD2 TYR A 193 7.506 -10.359 -6.591 -0.14 0.02 H new ATOM 0 HE1 TYR A 193 12.357 -10.184 -5.803 -0.14 0.02 H new ATOM 0 HE2 TYR A 193 8.912 -12.273 -7.212 -0.14 0.02 H new ATOM 0 HH TYR A 193 10.961 -13.215 -7.002 -0.60 0.02 H new ATOM 513 N ASN A 194 9.504 -9.137 -2.781 -0.36 0.02 N ATOM 514 CA ASN A 194 10.619 -9.197 -1.846 1.00 0.02 C ATOM 515 C ASN A 194 11.788 -9.959 -2.449 0.48 0.02 C ATOM 516 O ASN A 194 11.613 -11.062 -2.967 -0.48 0.02 O ATOM 517 CB ASN A 194 10.179 -9.862 -0.541 -0.20 0.02 C ATOM 518 CG ASN A 194 10.085 -8.878 0.607 0.48 0.02 C ATOM 519 OD1 ASN A 194 9.138 -8.096 0.695 -0.48 0.02 O ATOM 520 ND2 ASN A 194 11.071 -8.910 1.496 -0.52 0.02 N ATOM 0 H ASN A 194 9.250 -10.033 -3.197 -0.36 0.02 H new ATOM 0 HA ASN A 194 10.943 -8.178 -1.635 1.00 0.02 H new ATOM 0 HB2 ASN A 194 9.209 -10.338 -0.688 -0.20 0.02 H new ATOM 0 HB3 ASN A 194 10.885 -10.651 -0.283 -0.20 0.02 H new ATOM 0 HD21 ASN A 194 11.063 -8.270 2.290 -0.52 0.02 H new ATOM 0 HD22 ASN A 194 11.837 -9.575 1.385 -0.52 0.02 H new ATOM 527 N LEU A 195 12.978 -9.366 -2.374 -0.36 0.02 N ATOM 528 CA LEU A 195 14.183 -9.990 -2.907 1.00 0.02 C ATOM 529 C LEU A 195 14.695 -11.074 -1.962 0.48 0.02 C ATOM 530 O LEU A 195 15.407 -11.988 -2.378 -0.48 0.02 O ATOM 531 CB LEU A 195 15.270 -8.938 -3.134 -0.20 0.02 C ATOM 532 CG LEU A 195 16.565 -9.467 -3.755 -0.10 0.02 C ATOM 533 CD1 LEU A 195 17.100 -8.490 -4.790 -0.30 0.02 C ATOM 534 CD2 LEU A 195 17.606 -9.727 -2.676 -0.30 0.02 C ATOM 0 H LEU A 195 13.132 -8.452 -1.948 -0.36 0.02 H new ATOM 0 HA LEU A 195 13.932 -10.453 -3.861 1.00 0.02 H new ATOM 0 HB2 LEU A 195 14.869 -8.156 -3.779 -0.20 0.02 H new ATOM 0 HB3 LEU A 195 15.508 -8.471 -2.178 -0.20 0.02 H new ATOM 0 HG LEU A 195 16.346 -10.410 -4.256 -0.10 0.02 H new ATOM 0 HD11 LEU A 195 18.021 -8.884 -5.220 -0.30 0.02 H new ATOM 0 HD12 LEU A 195 16.360 -8.354 -5.579 -0.30 0.02 H new ATOM 0 HD13 LEU A 195 17.303 -7.531 -4.314 -0.30 0.02 H new ATOM 0 HD21 LEU A 195 18.520 -10.103 -3.135 -0.30 0.02 H new ATOM 0 HD22 LEU A 195 17.821 -8.799 -2.147 -0.30 0.02 H new ATOM 0 HD23 LEU A 195 17.224 -10.466 -1.972 -0.30 0.02 H new ATOM 546 N LYS A 196 14.310 -10.976 -0.692 -0.36 0.02 N ATOM 547 CA LYS A 196 14.712 -11.959 0.305 1.00 0.02 C ATOM 548 C LYS A 196 14.070 -13.294 -0.015 0.48 0.02 C ATOM 549 O LYS A 196 14.703 -14.347 0.053 -0.48 0.02 O ATOM 550 CB LYS A 196 14.286 -11.505 1.698 -0.20 0.02 C ATOM 551 CG LYS A 196 15.143 -10.388 2.253 -0.20 0.02 C ATOM 552 CD LYS A 196 14.678 -9.027 1.761 -0.20 0.02 C ATOM 553 CE LYS A 196 14.479 -8.054 2.914 0.30 5.02 C ATOM 554 NZ LYS A 196 15.636 -7.129 3.066 -0.81 0.02 N ATOM 0 H LYS A 196 13.721 -10.226 -0.331 -0.36 0.02 H new ATOM 0 HA LYS A 196 15.797 -12.060 0.286 1.00 0.02 H new ATOM 0 HB2 LYS A 196 13.248 -11.174 1.663 -0.20 0.02 H new ATOM 0 HB3 LYS A 196 14.326 -12.356 2.378 -0.20 0.02 H new ATOM 0 HG2 LYS A 196 15.112 -10.412 3.342 -0.20 0.02 H new ATOM 0 HG3 LYS A 196 16.181 -10.546 1.961 -0.20 0.02 H new ATOM 0 HD2 LYS A 196 15.411 -8.621 1.064 -0.20 0.02 H new ATOM 0 HD3 LYS A 196 13.743 -9.138 1.212 -0.20 0.02 H new ATOM 0 HE2 LYS A 196 13.571 -7.475 2.748 0.30 5.02 H new ATOM 0 HE3 LYS A 196 14.336 -8.612 3.839 0.30 5.02 H new ATOM 0 HZ1 LYS A 196 15.461 -6.483 3.862 -0.81 0.02 H new ATOM 0 HZ2 LYS A 196 16.499 -7.680 3.250 -0.81 0.02 H new ATOM 0 HZ3 LYS A 196 15.757 -6.578 2.192 -0.81 0.02 H new ATOM 568 N SER A 197 12.801 -13.221 -0.380 -0.36 0.02 N ATOM 569 CA SER A 197 12.031 -14.401 -0.739 1.00 0.02 C ATOM 570 C SER A 197 11.917 -14.510 -2.255 0.48 0.02 C ATOM 571 O SER A 197 11.517 -15.545 -2.782 -0.48 0.02 O ATOM 572 CB SER A 197 10.638 -14.343 -0.106 0.08 0.02 C ATOM 573 OG SER A 197 10.355 -15.531 0.612 -0.68 0.02 O ATOM 0 H SER A 197 12.277 -12.347 -0.436 -0.36 0.02 H new ATOM 0 HA SER A 197 12.547 -15.283 -0.360 1.00 0.02 H new ATOM 0 HB2 SER A 197 10.575 -13.486 0.564 0.08 0.02 H new ATOM 0 HB3 SER A 197 9.888 -14.196 -0.883 0.08 0.02 H new ATOM 0 HG SER A 197 9.461 -15.469 1.008 -0.68 0.02 H new ATOM 579 N LYS A 198 12.219 -13.404 -2.942 -0.36 0.02 N ATOM 580 CA LYS A 198 12.118 -13.329 -4.399 1.00 0.02 C ATOM 581 C LYS A 198 10.743 -13.806 -4.831 0.48 0.02 C ATOM 582 O LYS A 198 10.574 -14.462 -5.859 -0.48 0.02 O ATOM 583 CB LYS A 198 13.218 -14.139 -5.100 -0.20 0.02 C ATOM 584 CG LYS A 198 14.114 -14.911 -4.153 -0.20 0.02 C ATOM 585 CD LYS A 198 13.596 -16.322 -3.944 -0.20 0.02 C ATOM 586 CE LYS A 198 14.506 -17.357 -4.585 0.30 5.02 C ATOM 587 NZ LYS A 198 14.260 -17.482 -6.049 -0.81 0.02 N ATOM 0 H LYS A 198 12.539 -12.540 -2.504 -0.36 0.02 H new ATOM 0 HA LYS A 198 12.258 -12.290 -4.696 1.00 0.02 H new ATOM 0 HB2 LYS A 198 12.753 -14.838 -5.795 -0.20 0.02 H new ATOM 0 HB3 LYS A 198 13.832 -13.461 -5.693 -0.20 0.02 H new ATOM 0 HG2 LYS A 198 15.127 -14.947 -4.553 -0.20 0.02 H new ATOM 0 HG3 LYS A 198 14.168 -14.394 -3.195 -0.20 0.02 H new ATOM 0 HD2 LYS A 198 13.511 -16.524 -2.876 -0.20 0.02 H new ATOM 0 HD3 LYS A 198 12.594 -16.408 -4.365 -0.20 0.02 H new ATOM 0 HE2 LYS A 198 15.547 -17.081 -4.414 0.30 5.02 H new ATOM 0 HE3 LYS A 198 14.350 -18.324 -4.107 0.30 5.02 H new ATOM 0 HZ1 LYS A 198 14.900 -18.197 -6.449 -0.81 0.02 H new ATOM 0 HZ2 LYS A 198 13.274 -17.770 -6.212 -0.81 0.02 H new ATOM 0 HZ3 LYS A 198 14.434 -16.566 -6.510 -0.81 0.02 H new ATOM 601 N SER A 199 9.774 -13.463 -4.006 -0.36 0.02 N ATOM 602 CA SER A 199 8.386 -13.836 -4.241 1.00 0.02 C ATOM 603 C SER A 199 7.509 -12.604 -4.410 0.48 0.02 C ATOM 604 O SER A 199 7.895 -11.497 -4.034 -0.48 0.02 O ATOM 605 CB SER A 199 7.865 -14.692 -3.085 0.08 0.02 C ATOM 606 OG SER A 199 6.458 -14.846 -3.159 -0.68 0.02 O ATOM 0 H SER A 199 9.922 -12.920 -3.155 -0.36 0.02 H new ATOM 0 HA SER A 199 8.345 -14.415 -5.163 1.00 0.02 H new ATOM 0 HB2 SER A 199 8.343 -15.671 -3.109 0.08 0.02 H new ATOM 0 HB3 SER A 199 8.134 -14.229 -2.135 0.08 0.02 H new ATOM 0 HG SER A 199 6.150 -15.398 -2.410 -0.68 0.02 H new ATOM 612 N CYS A 200 6.320 -12.808 -4.962 -0.36 0.02 N ATOM 613 CA CYS A 200 5.377 -11.720 -5.166 1.00 0.02 C ATOM 614 C CYS A 200 4.296 -11.767 -4.092 0.48 0.02 C ATOM 615 O CYS A 200 3.727 -12.827 -3.831 -0.48 0.02 O ATOM 616 CB CYS A 200 4.741 -11.819 -6.551 0.20 0.02 C ATOM 617 SG CYS A 200 3.755 -10.362 -7.013 -0.20 0.02 S ATOM 0 H CYS A 200 5.987 -13.719 -5.276 -0.36 0.02 H new ATOM 0 HA CYS A 200 5.912 -10.773 -5.096 1.00 0.02 H new ATOM 0 HB2 CYS A 200 5.527 -11.964 -7.292 0.20 0.02 H new ATOM 0 HB3 CYS A 200 4.104 -12.703 -6.586 0.20 0.02 H new ATOM 622 N GLU A 201 4.016 -10.632 -3.460 -0.36 0.02 N ATOM 623 CA GLU A 201 3.003 -10.598 -2.411 1.00 0.02 C ATOM 624 C GLU A 201 2.253 -9.268 -2.360 0.48 0.02 C ATOM 625 O GLU A 201 2.858 -8.198 -2.379 -0.48 0.02 O ATOM 626 CB GLU A 201 3.648 -10.877 -1.053 -0.20 0.02 C ATOM 627 CG GLU A 201 3.784 -12.358 -0.738 -0.45 0.02 C ATOM 628 CD GLU A 201 4.492 -12.610 0.579 0.49 0.02 C ATOM 629 OE1 GLU A 201 5.704 -12.320 0.666 -0.62 0.02 O ATOM 630 OE2 GLU A 201 3.835 -13.097 1.523 -0.62 0.02 O ATOM 0 H GLU A 201 4.467 -9.738 -3.651 -0.36 0.02 H new ATOM 0 HA GLU A 201 2.274 -11.373 -2.647 1.00 0.02 H new ATOM 0 HB2 GLU A 201 4.635 -10.416 -1.027 -0.20 0.02 H new ATOM 0 HB3 GLU A 201 3.054 -10.401 -0.273 -0.20 0.02 H new ATOM 0 HG2 GLU A 201 2.793 -12.812 -0.707 -0.45 0.02 H new ATOM 0 HG3 GLU A 201 4.334 -12.848 -1.542 -0.45 0.02 H new ATOM 637 N ASP A 202 0.926 -9.364 -2.267 -0.36 0.02 N ATOM 638 CA ASP A 202 0.053 -8.202 -2.175 1.00 0.02 C ATOM 639 C ASP A 202 0.727 -7.095 -1.382 0.48 0.02 C ATOM 640 O ASP A 202 1.542 -7.350 -0.495 -0.48 0.02 O ATOM 641 CB ASP A 202 -1.276 -8.583 -1.516 -0.45 0.02 C ATOM 642 CG ASP A 202 -2.160 -7.377 -1.255 0.49 0.02 C ATOM 643 OD1 ASP A 202 -2.548 -6.703 -2.232 -0.62 0.02 O ATOM 644 OD2 ASP A 202 -2.464 -7.108 -0.074 -0.62 0.02 O ATOM 0 H ASP A 202 0.429 -10.254 -2.254 -0.36 0.02 H new ATOM 0 HA ASP A 202 -0.146 -7.841 -3.184 1.00 0.02 H new ATOM 0 HB2 ASP A 202 -1.807 -9.287 -2.156 -0.45 0.02 H new ATOM 0 HB3 ASP A 202 -1.078 -9.095 -0.574 -0.45 0.02 H new ATOM 649 N ILE A 203 0.410 -5.872 -1.738 -0.36 0.02 N ATOM 650 CA ILE A 203 1.005 -4.715 -1.107 1.00 0.02 C ATOM 651 C ILE A 203 0.288 -4.299 0.180 0.48 0.02 C ATOM 652 O ILE A 203 -0.847 -4.711 0.448 -0.48 0.02 O ATOM 653 CB ILE A 203 1.024 -3.562 -2.109 -0.10 0.02 C ATOM 654 CG1 ILE A 203 1.903 -2.414 -1.639 -0.20 0.02 C ATOM 655 CG2 ILE A 203 -0.382 -3.089 -2.396 -0.30 0.02 C ATOM 656 CD1 ILE A 203 2.533 -1.678 -2.792 -0.30 0.02 C ATOM 0 H ILE A 203 -0.265 -5.650 -2.470 -0.36 0.02 H new ATOM 0 HA ILE A 203 2.020 -4.980 -0.812 1.00 0.02 H new ATOM 0 HB ILE A 203 1.460 -3.936 -3.035 -0.10 0.02 H new ATOM 0 HG12 ILE A 203 1.307 -1.719 -1.048 -0.20 0.02 H new ATOM 0 HG13 ILE A 203 2.685 -2.800 -0.985 -0.20 0.02 H new ATOM 0 HG21 ILE A 203 -0.351 -2.267 -3.112 -0.30 0.02 H new ATOM 0 HG22 ILE A 203 -0.964 -3.911 -2.812 -0.30 0.02 H new ATOM 0 HG23 ILE A 203 -0.847 -2.747 -1.471 -0.30 0.02 H new ATOM 0 HD11 ILE A 203 3.152 -0.866 -2.411 -0.30 0.02 H new ATOM 0 HD12 ILE A 203 3.151 -2.366 -3.369 -0.30 0.02 H new ATOM 0 HD13 ILE A 203 1.752 -1.268 -3.433 -0.30 0.02 H new ATOM 668 N ASP A 204 0.978 -3.452 0.943 -0.36 0.02 N ATOM 669 CA ASP A 204 0.468 -2.920 2.202 1.00 0.02 C ATOM 670 C ASP A 204 0.040 -1.465 2.023 0.48 0.02 C ATOM 671 O ASP A 204 0.510 -0.569 2.724 -0.48 0.02 O ATOM 672 CB ASP A 204 1.536 -3.033 3.293 -0.45 0.02 C ATOM 673 CG ASP A 204 1.240 -4.146 4.279 0.49 0.02 C ATOM 674 OD1 ASP A 204 0.454 -5.053 3.932 -0.62 0.02 O ATOM 675 OD2 ASP A 204 1.793 -4.110 5.398 -0.62 0.02 O ATOM 0 H ASP A 204 1.910 -3.115 0.702 -0.36 0.02 H new ATOM 0 HA ASP A 204 -0.402 -3.503 2.505 1.00 0.02 H new ATOM 0 HB2 ASP A 204 2.507 -3.210 2.830 -0.45 0.02 H new ATOM 0 HB3 ASP A 204 1.606 -2.086 3.828 -0.45 0.02 H new ATOM 680 N GLU A 205 -0.846 -1.248 1.060 -0.36 0.02 N ATOM 681 CA GLU A 205 -1.348 0.082 0.742 1.00 0.02 C ATOM 682 C GLU A 205 -1.840 0.844 1.969 0.48 0.02 C ATOM 683 O GLU A 205 -1.922 2.067 1.937 -0.48 0.02 O ATOM 684 CB GLU A 205 -2.472 -0.021 -0.285 -0.20 0.02 C ATOM 685 CG GLU A 205 -1.991 -0.443 -1.662 -0.45 0.02 C ATOM 686 CD GLU A 205 -2.871 -1.505 -2.291 0.49 0.02 C ATOM 687 OE1 GLU A 205 -2.993 -2.609 -1.708 -0.62 0.02 O ATOM 688 OE2 GLU A 205 -3.442 -1.231 -3.365 -0.62 0.02 O ATOM 0 H GLU A 205 -1.237 -1.989 0.478 -0.36 0.02 H new ATOM 0 HA GLU A 205 -0.510 0.646 0.332 1.00 0.02 H new ATOM 0 HB2 GLU A 205 -3.213 -0.738 0.069 -0.20 0.02 H new ATOM 0 HB3 GLU A 205 -2.973 0.944 -0.363 -0.20 0.02 H new ATOM 0 HG2 GLU A 205 -1.960 0.430 -2.314 -0.45 0.02 H new ATOM 0 HG3 GLU A 205 -0.971 -0.821 -1.586 -0.45 0.02 H new ATOM 695 N CYS A 206 -2.184 0.140 3.041 -0.36 0.02 N ATOM 696 CA CYS A 206 -2.674 0.811 4.239 1.00 0.02 C ATOM 697 C CYS A 206 -1.620 0.851 5.342 0.48 0.02 C ATOM 698 O CYS A 206 -1.629 1.750 6.183 -0.48 0.02 O ATOM 699 CB CYS A 206 -3.951 0.139 4.741 0.20 0.02 C ATOM 700 SG CYS A 206 -3.695 -1.309 5.816 -0.20 0.02 S ATOM 0 H CYS A 206 -2.134 -0.877 3.106 -0.36 0.02 H new ATOM 0 HA CYS A 206 -2.899 1.842 3.968 1.00 0.02 H new ATOM 0 HB2 CYS A 206 -4.540 0.876 5.286 0.20 0.02 H new ATOM 0 HB3 CYS A 206 -4.543 -0.169 3.879 0.20 0.02 H new ATOM 705 N SER A 207 -0.711 -0.115 5.332 -0.36 0.02 N ATOM 706 CA SER A 207 0.345 -0.164 6.336 1.00 0.02 C ATOM 707 C SER A 207 1.210 1.085 6.245 0.48 0.02 C ATOM 708 O SER A 207 1.872 1.472 7.207 -0.48 0.02 O ATOM 709 CB SER A 207 1.205 -1.415 6.152 0.08 0.02 C ATOM 710 OG SER A 207 1.674 -1.900 7.399 -0.68 0.02 O ATOM 0 H SER A 207 -0.682 -0.870 4.646 -0.36 0.02 H new ATOM 0 HA SER A 207 -0.117 -0.205 7.323 1.00 0.02 H new ATOM 0 HB2 SER A 207 0.623 -2.190 5.653 0.08 0.02 H new ATOM 0 HB3 SER A 207 2.052 -1.186 5.506 0.08 0.02 H new ATOM 0 HG SER A 207 1.939 -2.839 7.306 -0.68 0.02 H new ATOM 716 N GLU A 208 1.213 1.694 5.064 -0.36 0.02 N ATOM 717 CA GLU A 208 2.008 2.883 4.805 1.00 0.02 C ATOM 718 C GLU A 208 1.359 4.141 5.382 0.48 0.02 C ATOM 719 O GLU A 208 1.924 5.231 5.292 -0.48 0.02 O ATOM 720 CB GLU A 208 2.181 3.033 3.297 -0.20 0.02 C ATOM 721 CG GLU A 208 3.165 2.042 2.706 -0.45 0.02 C ATOM 722 CD GLU A 208 4.371 2.714 2.079 0.49 0.02 C ATOM 723 OE1 GLU A 208 5.356 2.963 2.806 -0.62 0.02 O ATOM 724 OE2 GLU A 208 4.329 2.993 0.862 -0.62 0.02 O ATOM 0 H GLU A 208 0.666 1.377 4.264 -0.36 0.02 H new ATOM 0 HA GLU A 208 2.976 2.767 5.293 1.00 0.02 H new ATOM 0 HB2 GLU A 208 1.213 2.906 2.813 -0.20 0.02 H new ATOM 0 HB3 GLU A 208 2.518 4.046 3.076 -0.20 0.02 H new ATOM 0 HG2 GLU A 208 3.500 1.360 3.487 -0.45 0.02 H new ATOM 0 HG3 GLU A 208 2.658 1.439 1.953 -0.45 0.02 H new ATOM 731 N ASN A 209 0.177 3.982 5.978 -0.36 0.02 N ATOM 732 CA ASN A 209 -0.557 5.099 6.585 1.00 0.02 C ATOM 733 C ASN A 209 -1.397 5.842 5.550 0.48 0.02 C ATOM 734 O ASN A 209 -1.177 7.024 5.285 -0.48 0.02 O ATOM 735 CB ASN A 209 0.393 6.076 7.289 -0.20 0.02 C ATOM 736 CG ASN A 209 1.465 5.366 8.094 0.48 0.02 C ATOM 737 OD1 ASN A 209 1.344 4.180 8.401 -0.48 0.02 O ATOM 738 ND2 ASN A 209 2.522 6.091 8.441 -0.52 0.02 N ATOM 0 H ASN A 209 -0.298 3.083 6.055 -0.36 0.02 H new ATOM 0 HA ASN A 209 -1.227 4.671 7.331 1.00 0.02 H new ATOM 0 HB2 ASN A 209 0.866 6.717 6.545 -0.20 0.02 H new ATOM 0 HB3 ASN A 209 -0.182 6.725 7.949 -0.20 0.02 H new ATOM 0 HD21 ASN A 209 3.275 5.668 8.984 -0.52 0.02 H new ATOM 0 HD22 ASN A 209 2.581 7.071 8.165 -0.52 0.02 H new ATOM 745 N MET A 210 -2.365 5.138 4.972 -0.36 0.02 N ATOM 746 CA MET A 210 -3.251 5.725 3.967 1.00 0.02 C ATOM 747 C MET A 210 -4.703 5.487 4.304 0.48 0.02 C ATOM 748 O MET A 210 -5.589 6.134 3.744 -0.48 0.02 O ATOM 749 CB MET A 210 -2.939 5.169 2.575 -0.20 0.02 C ATOM 750 CG MET A 210 -1.462 4.898 2.341 -0.11 5.02 C ATOM 751 SD MET A 210 -0.776 5.878 0.991 -0.17 0.02 S ATOM 752 CE MET A 210 -1.480 5.037 -0.427 -0.21 5.02 C ATOM 0 H MET A 210 -2.558 4.158 5.181 -0.36 0.02 H new ATOM 0 HA MET A 210 -3.073 6.800 3.966 1.00 0.02 H new ATOM 0 HB2 MET A 210 -3.496 4.244 2.430 -0.20 0.02 H new ATOM 0 HB3 MET A 210 -3.293 5.875 1.824 -0.20 0.02 H new ATOM 0 HG2 MET A 210 -0.909 5.111 3.256 -0.11 5.02 H new ATOM 0 HG3 MET A 210 -1.322 3.839 2.123 -0.11 5.02 H new ATOM 0 HE1 MET A 210 -1.148 5.527 -1.342 -0.21 5.02 H new ATOM 0 HE2 MET A 210 -1.153 3.997 -0.433 -0.21 5.02 H new ATOM 0 HE3 MET A 210 -2.568 5.075 -0.369 -0.21 5.02 H new ATOM 762 N CYS A 211 -4.957 4.563 5.209 -0.36 0.02 N ATOM 763 CA CYS A 211 -6.324 4.269 5.589 1.00 0.02 C ATOM 764 C CYS A 211 -6.623 4.699 7.012 0.48 0.02 C ATOM 765 O CYS A 211 -5.738 4.752 7.866 -0.48 0.02 O ATOM 766 CB CYS A 211 -6.629 2.788 5.406 0.20 0.02 C ATOM 767 SG CYS A 211 -7.004 2.313 3.694 -0.20 0.02 S ATOM 0 H CYS A 211 -4.247 4.010 5.689 -0.36 0.02 H new ATOM 0 HA CYS A 211 -6.972 4.846 4.929 1.00 0.02 H new ATOM 0 HB2 CYS A 211 -5.775 2.207 5.754 0.20 0.02 H new ATOM 0 HB3 CYS A 211 -7.475 2.522 6.039 0.20 0.02 H new ATOM 772 N ALA A 212 -7.885 5.029 7.241 -0.36 0.02 N ATOM 773 CA ALA A 212 -8.334 5.487 8.537 1.00 0.02 C ATOM 774 C ALA A 212 -8.122 4.431 9.632 0.48 0.02 C ATOM 775 O ALA A 212 -7.267 3.555 9.506 -0.48 0.02 O ATOM 776 CB ALA A 212 -9.796 5.911 8.457 -0.30 0.02 C ATOM 0 H ALA A 212 -8.619 4.986 6.535 -0.36 0.02 H new ATOM 0 HA ALA A 212 -7.728 6.349 8.817 1.00 0.02 H new ATOM 0 HB1 ALA A 212 -10.129 6.255 9.436 -0.30 0.02 H new ATOM 0 HB2 ALA A 212 -9.901 6.719 7.733 -0.30 0.02 H new ATOM 0 HB3 ALA A 212 -10.404 5.062 8.144 -0.30 0.02 H new ATOM 782 N GLN A 213 -8.899 4.543 10.715 -0.36 0.02 N ATOM 783 CA GLN A 213 -8.810 3.630 11.861 1.00 0.02 C ATOM 784 C GLN A 213 -8.568 2.175 11.449 0.48 0.02 C ATOM 785 O GLN A 213 -7.654 1.522 11.953 -0.48 0.02 O ATOM 786 CB GLN A 213 -10.084 3.726 12.706 -0.20 0.02 C ATOM 787 CG GLN A 213 -9.857 3.438 14.181 -0.20 0.02 C ATOM 788 CD GLN A 213 -11.030 2.728 14.826 0.48 0.02 C ATOM 789 OE1 GLN A 213 -10.886 1.628 15.360 -0.48 0.02 O ATOM 790 NE2 GLN A 213 -12.200 3.355 14.780 -0.52 0.02 N ATOM 0 H GLN A 213 -9.607 5.269 10.822 -0.36 0.02 H new ATOM 0 HA GLN A 213 -7.946 3.942 12.447 1.00 0.02 H new ATOM 0 HB2 GLN A 213 -10.506 4.725 12.600 -0.20 0.02 H new ATOM 0 HB3 GLN A 213 -10.822 3.025 12.317 -0.20 0.02 H new ATOM 0 HG2 GLN A 213 -8.961 2.827 14.294 -0.20 0.02 H new ATOM 0 HG3 GLN A 213 -9.672 4.375 14.706 -0.20 0.02 H new ATOM 0 HE21 GLN A 213 -12.273 4.266 14.327 -0.52 0.02 H new ATOM 0 HE22 GLN A 213 -13.025 2.926 15.198 -0.52 0.02 H new ATOM 799 N LEU A 214 -9.388 1.678 10.535 -0.36 0.02 N ATOM 800 CA LEU A 214 -9.262 0.304 10.057 1.00 0.02 C ATOM 801 C LEU A 214 -9.040 0.266 8.567 0.48 0.02 C ATOM 802 O LEU A 214 -9.710 0.963 7.817 -0.48 0.02 O ATOM 803 CB LEU A 214 -10.499 -0.510 10.401 -0.20 0.02 C ATOM 804 CG LEU A 214 -10.587 -0.899 11.860 -0.10 0.02 C ATOM 805 CD1 LEU A 214 -9.395 -1.770 12.224 -0.30 0.02 C ATOM 806 CD2 LEU A 214 -10.637 0.352 12.716 -0.30 0.02 C ATOM 0 H LEU A 214 -10.150 2.204 10.107 -0.36 0.02 H new ATOM 0 HA LEU A 214 -8.397 -0.133 10.557 1.00 0.02 H new ATOM 0 HB2 LEU A 214 -11.386 0.064 10.133 -0.20 0.02 H new ATOM 0 HB3 LEU A 214 -10.509 -1.414 9.792 -0.20 0.02 H new ATOM 0 HG LEU A 214 -11.497 -1.472 12.041 -0.10 0.02 H new ATOM 0 HD11 LEU A 214 -9.457 -2.051 13.275 -0.30 0.02 H new ATOM 0 HD12 LEU A 214 -9.399 -2.669 11.607 -0.30 0.02 H new ATOM 0 HD13 LEU A 214 -8.473 -1.215 12.051 -0.30 0.02 H new ATOM 0 HD21 LEU A 214 -10.700 0.071 13.767 -0.30 0.02 H new ATOM 0 HD22 LEU A 214 -9.735 0.942 12.552 -0.30 0.02 H new ATOM 0 HD23 LEU A 214 -11.512 0.944 12.445 -0.30 0.02 H new ATOM 818 N CYS A 215 -8.060 -0.507 8.138 -0.36 0.02 N ATOM 819 CA CYS A 215 -7.737 -0.572 6.734 1.00 0.02 C ATOM 820 C CYS A 215 -7.782 -1.992 6.167 0.48 0.02 C ATOM 821 O CYS A 215 -6.773 -2.696 6.197 -0.48 0.02 O ATOM 822 CB CYS A 215 -6.338 -0.007 6.547 0.20 0.02 C ATOM 823 SG CYS A 215 -5.011 -0.991 7.328 -0.20 0.02 S ATOM 0 H CYS A 215 -7.481 -1.093 8.740 -0.36 0.02 H new ATOM 0 HA CYS A 215 -8.488 0.004 6.194 1.00 0.02 H new ATOM 0 HB2 CYS A 215 -6.132 0.074 5.480 0.20 0.02 H new ATOM 0 HB3 CYS A 215 -6.311 1.004 6.954 0.20 0.02 H new ATOM 828 N VAL A 216 -8.910 -2.422 5.595 -0.36 0.02 N ATOM 829 CA VAL A 216 -8.939 -3.748 4.997 1.00 0.02 C ATOM 830 C VAL A 216 -8.365 -3.655 3.604 0.48 0.02 C ATOM 831 O VAL A 216 -9.081 -3.412 2.631 -0.48 0.02 O ATOM 832 CB VAL A 216 -10.343 -4.371 4.899 -0.10 0.02 C ATOM 833 CG1 VAL A 216 -10.398 -5.435 3.794 -0.30 0.02 C ATOM 834 CG2 VAL A 216 -10.769 -4.972 6.231 -0.30 0.02 C ATOM 0 H VAL A 216 -9.780 -1.892 5.536 -0.36 0.02 H new ATOM 0 HA VAL A 216 -8.356 -4.395 5.652 1.00 0.02 H new ATOM 0 HB VAL A 216 -11.040 -3.573 4.643 -0.10 0.02 H new ATOM 0 HG11 VAL A 216 -11.401 -5.859 3.747 -0.30 0.02 H new ATOM 0 HG12 VAL A 216 -10.152 -4.978 2.836 -0.30 0.02 H new ATOM 0 HG13 VAL A 216 -9.680 -6.225 4.014 -0.30 0.02 H new ATOM 0 HG21 VAL A 216 -11.764 -5.405 6.133 -0.30 0.02 H new ATOM 0 HG22 VAL A 216 -10.062 -5.749 6.522 -0.30 0.02 H new ATOM 0 HG23 VAL A 216 -10.786 -4.193 6.993 -0.30 0.02 H new ATOM 844 N ASN A 217 -7.079 -3.852 3.518 -0.36 0.02 N ATOM 845 CA ASN A 217 -6.409 -3.798 2.248 1.00 0.02 C ATOM 846 C ASN A 217 -6.455 -5.171 1.594 0.48 0.02 C ATOM 847 O ASN A 217 -5.708 -6.062 2.001 -0.48 0.02 O ATOM 848 CB ASN A 217 -4.967 -3.339 2.436 -0.20 0.02 C ATOM 849 CG ASN A 217 -4.152 -3.474 1.172 0.48 0.02 C ATOM 850 OD1 ASN A 217 -4.684 -3.781 0.106 -0.48 0.02 O ATOM 851 ND2 ASN A 217 -2.861 -3.227 1.282 -0.52 0.02 N ATOM 0 H ASN A 217 -6.473 -4.052 4.313 -0.36 0.02 H new ATOM 0 HA ASN A 217 -6.913 -3.081 1.600 1.00 0.02 H new ATOM 0 HB2 ASN A 217 -4.959 -2.299 2.761 -0.20 0.02 H new ATOM 0 HB3 ASN A 217 -4.502 -3.925 3.229 -0.20 0.02 H new ATOM 0 HD21 ASN A 217 -2.259 -3.287 0.461 -0.52 0.02 H new ATOM 0 HD22 ASN A 217 -2.465 -2.976 2.188 -0.52 0.02 H new ATOM 858 N TYR A 218 -7.330 -5.380 0.599 -0.36 0.02 N ATOM 859 CA TYR A 218 -7.399 -6.694 -0.015 1.00 0.02 C ATOM 860 C TYR A 218 -6.366 -6.833 -1.108 0.48 0.02 C ATOM 861 O TYR A 218 -5.718 -5.854 -1.502 -0.48 0.02 O ATOM 862 CB TYR A 218 -8.805 -7.028 -0.553 -0.20 0.02 C ATOM 863 CG TYR A 218 -9.616 -5.872 -1.098 1.00 0.02 C ATOM 864 CD1 TYR A 218 -10.332 -5.039 -0.249 -0.14 0.02 C ATOM 865 CD2 TYR A 218 -9.704 -5.645 -2.470 -0.14 0.02 C ATOM 866 CE1 TYR A 218 -11.104 -4.006 -0.746 -0.14 0.02 C ATOM 867 CE2 TYR A 218 -10.482 -4.618 -2.975 -0.14 0.02 C ATOM 868 CZ TYR A 218 -11.178 -3.800 -2.108 0.20 0.02 C ATOM 869 OH TYR A 218 -11.952 -2.778 -2.605 -0.60 0.02 O ATOM 0 H TYR A 218 -7.971 -4.682 0.222 -0.36 0.02 H new ATOM 0 HA TYR A 218 -7.181 -7.416 0.772 1.00 0.02 H new ATOM 0 HB2 TYR A 218 -8.699 -7.772 -1.343 -0.20 0.02 H new ATOM 0 HB3 TYR A 218 -9.375 -7.495 0.250 -0.20 0.02 H new ATOM 0 HD1 TYR A 218 -10.285 -5.201 0.818 -0.14 0.02 H new ATOM 0 HD2 TYR A 218 -9.156 -6.281 -3.150 -0.14 0.02 H new ATOM 0 HE1 TYR A 218 -11.648 -3.362 -0.070 -0.14 0.02 H new ATOM 0 HE2 TYR A 218 -10.544 -4.457 -4.041 -0.14 0.02 H new ATOM 0 HH TYR A 218 -11.894 -2.769 -3.583 -0.60 0.02 H new ATOM 879 N PRO A 219 -6.161 -8.062 -1.598 -0.36 0.02 N ATOM 880 CA PRO A 219 -5.183 -8.313 -2.632 1.00 0.02 C ATOM 881 C PRO A 219 -5.349 -7.351 -3.802 0.48 0.02 C ATOM 882 O PRO A 219 -6.162 -7.582 -4.697 -0.48 0.02 O ATOM 883 CB PRO A 219 -5.454 -9.762 -3.070 -0.20 0.02 C ATOM 884 CG PRO A 219 -6.740 -10.143 -2.414 -0.20 0.02 C ATOM 885 CD PRO A 219 -6.827 -9.304 -1.176 0.06 0.02 C ATOM 0 HA PRO A 219 -4.164 -8.168 -2.275 1.00 0.02 H new ATOM 0 HB2 PRO A 219 -5.530 -9.836 -4.155 -0.20 0.02 H new ATOM 0 HB3 PRO A 219 -4.645 -10.423 -2.761 -0.20 0.02 H new ATOM 0 HG2 PRO A 219 -7.587 -9.956 -3.074 -0.20 0.02 H new ATOM 0 HG3 PRO A 219 -6.755 -11.205 -2.169 -0.20 0.02 H new ATOM 0 HD2 PRO A 219 -7.860 -9.130 -0.873 0.06 0.02 H new ATOM 0 HD3 PRO A 219 -6.321 -9.771 -0.331 0.06 0.02 H new ATOM 893 N GLY A 220 -4.568 -6.277 -3.796 -0.36 0.02 N ATOM 894 CA GLY A 220 -4.638 -5.307 -4.865 -0.10 0.02 C ATOM 895 C GLY A 220 -5.288 -4.004 -4.447 0.48 0.02 C ATOM 896 O GLY A 220 -4.618 -2.983 -4.320 -0.48 0.02 O ATOM 0 H GLY A 220 -3.887 -6.063 -3.067 -0.36 0.02 H new ATOM 0 HA2 GLY A 220 -3.631 -5.103 -5.228 -0.10 0.02 H new ATOM 0 HA3 GLY A 220 -5.197 -5.734 -5.698 -0.10 0.02 H new ATOM 900 N GLY A 221 -6.600 -4.036 -4.258 -0.36 0.02 N ATOM 901 CA GLY A 221 -7.327 -2.834 -3.879 -0.10 0.02 C ATOM 902 C GLY A 221 -7.698 -2.758 -2.415 0.48 0.02 C ATOM 903 O GLY A 221 -8.507 -3.538 -1.924 -0.48 0.02 O ATOM 0 H GLY A 221 -7.177 -4.871 -4.360 -0.36 0.02 H new ATOM 0 HA2 GLY A 221 -6.721 -1.964 -4.132 -0.10 0.02 H new ATOM 0 HA3 GLY A 221 -8.238 -2.773 -4.475 -0.10 0.02 H new ATOM 907 N TYR A 222 -7.077 -1.865 -1.678 -0.36 0.02 N ATOM 908 CA TYR A 222 -7.362 -1.768 -0.266 1.00 0.02 C ATOM 909 C TYR A 222 -8.680 -1.050 0.028 0.48 0.02 C ATOM 910 O TYR A 222 -9.411 -0.653 -0.879 -0.48 0.02 O ATOM 911 CB TYR A 222 -6.223 -1.054 0.435 -0.20 0.02 C ATOM 912 CG TYR A 222 -6.031 0.349 -0.062 1.00 0.02 C ATOM 913 CD1 TYR A 222 -5.249 0.604 -1.174 -0.14 0.02 C ATOM 914 CD2 TYR A 222 -6.626 1.412 0.585 -0.14 0.02 C ATOM 915 CE1 TYR A 222 -5.060 1.893 -1.631 -0.14 0.02 C ATOM 916 CE2 TYR A 222 -6.446 2.709 0.141 -0.14 0.02 C ATOM 917 CZ TYR A 222 -5.659 2.944 -0.968 0.20 0.02 C ATOM 918 OH TYR A 222 -5.473 4.232 -1.416 -0.60 0.02 O ATOM 0 H TYR A 222 -6.382 -1.205 -2.027 -0.36 0.02 H new ATOM 0 HA TYR A 222 -7.463 -2.786 0.111 1.00 0.02 H new ATOM 0 HB2 TYR A 222 -6.417 -1.033 1.507 -0.20 0.02 H new ATOM 0 HB3 TYR A 222 -5.301 -1.617 0.289 -0.20 0.02 H new ATOM 0 HD1 TYR A 222 -4.779 -0.218 -1.693 -0.14 0.02 H new ATOM 0 HD2 TYR A 222 -7.242 1.228 1.453 -0.14 0.02 H new ATOM 0 HE1 TYR A 222 -4.448 2.077 -2.501 -0.14 0.02 H new ATOM 0 HE2 TYR A 222 -6.918 3.532 0.658 -0.14 0.02 H new ATOM 0 HH TYR A 222 -5.337 4.224 -2.386 -0.60 0.02 H new ATOM 928 N THR A 223 -8.956 -0.887 1.323 -0.36 0.02 N ATOM 929 CA THR A 223 -10.165 -0.216 1.798 1.00 0.02 C ATOM 930 C THR A 223 -9.926 0.344 3.191 0.48 0.02 C ATOM 931 O THR A 223 -9.183 -0.235 3.984 -0.48 0.02 O ATOM 932 CB THR A 223 -11.355 -1.188 1.801 0.18 0.02 C ATOM 933 OG1 THR A 223 -11.934 -1.268 0.510 -0.68 0.02 O ATOM 934 CG2 THR A 223 -12.461 -0.817 2.774 -0.30 0.02 C ATOM 0 H THR A 223 -8.347 -1.217 2.072 -0.36 0.02 H new ATOM 0 HA THR A 223 -10.403 0.606 1.123 1.00 0.02 H new ATOM 0 HB THR A 223 -10.934 -2.142 2.118 0.18 0.02 H new ATOM 0 HG1 THR A 223 -11.249 -1.088 -0.167 -0.68 0.02 H new ATOM 0 HG21 THR A 223 -13.262 -1.554 2.713 -0.30 0.02 H new ATOM 0 HG22 THR A 223 -12.062 -0.798 3.788 -0.30 0.02 H new ATOM 0 HG23 THR A 223 -12.854 0.168 2.520 -0.30 0.02 H new ATOM 942 N CYS A 224 -10.539 1.484 3.478 -0.36 0.02 N ATOM 943 CA CYS A 224 -10.362 2.123 4.770 1.00 0.02 C ATOM 944 C CYS A 224 -11.686 2.325 5.503 0.48 0.02 C ATOM 945 O CYS A 224 -12.475 3.207 5.162 -0.48 0.02 O ATOM 946 CB CYS A 224 -9.658 3.469 4.601 0.20 0.02 C ATOM 947 SG CYS A 224 -8.519 3.557 3.178 -0.20 0.02 S ATOM 0 H CYS A 224 -11.158 1.981 2.838 -0.36 0.02 H new ATOM 0 HA CYS A 224 -9.747 1.457 5.375 1.00 0.02 H new ATOM 0 HB2 CYS A 224 -10.413 4.248 4.494 0.20 0.02 H new ATOM 0 HB3 CYS A 224 -9.099 3.689 5.511 0.20 0.02 H new ATOM 952 N TYR A 225 -11.892 1.523 6.540 -0.36 0.02 N ATOM 953 CA TYR A 225 -13.080 1.614 7.374 1.00 0.02 C ATOM 954 C TYR A 225 -12.662 2.004 8.786 0.48 0.02 C ATOM 955 O TYR A 225 -11.664 1.511 9.277 -0.48 0.02 O ATOM 956 CB TYR A 225 -13.847 0.291 7.379 -0.20 0.02 C ATOM 957 CG TYR A 225 -13.080 -0.882 7.952 1.00 0.02 C ATOM 958 CD1 TYR A 225 -11.974 -1.413 7.297 -0.14 0.02 C ATOM 959 CD2 TYR A 225 -13.483 -1.477 9.140 -0.14 0.02 C ATOM 960 CE1 TYR A 225 -11.298 -2.498 7.805 -0.14 0.02 C ATOM 961 CE2 TYR A 225 -12.806 -2.564 9.660 -0.14 0.02 C ATOM 962 CZ TYR A 225 -11.716 -3.073 8.987 0.20 0.02 C ATOM 963 OH TYR A 225 -11.042 -4.159 9.497 -0.60 0.02 O ATOM 0 H TYR A 225 -11.240 0.792 6.825 -0.36 0.02 H new ATOM 0 HA TYR A 225 -13.748 2.375 6.970 1.00 0.02 H new ATOM 0 HB2 TYR A 225 -14.766 0.421 7.951 -0.20 0.02 H new ATOM 0 HB3 TYR A 225 -14.139 0.052 6.356 -0.20 0.02 H new ATOM 0 HD1 TYR A 225 -11.640 -0.965 6.373 -0.14 0.02 H new ATOM 0 HD2 TYR A 225 -14.340 -1.084 9.667 -0.14 0.02 H new ATOM 0 HE1 TYR A 225 -10.443 -2.898 7.280 -0.14 0.02 H new ATOM 0 HE2 TYR A 225 -13.129 -3.012 10.588 -0.14 0.02 H new ATOM 0 HH TYR A 225 -11.464 -4.442 10.335 -0.60 0.02 H new ATOM 973 N CYS A 226 -13.375 2.931 9.417 -0.36 0.02 N ATOM 974 CA CYS A 226 -12.988 3.393 10.749 1.00 0.02 C ATOM 975 C CYS A 226 -13.535 2.546 11.881 0.48 0.02 C ATOM 976 O CYS A 226 -12.769 1.988 12.662 -0.48 0.02 O ATOM 977 CB CYS A 226 -13.418 4.815 10.978 0.20 0.02 C ATOM 978 SG CYS A 226 -12.058 6.026 10.916 -0.20 0.02 S ATOM 0 H CYS A 226 -14.212 3.373 9.036 -0.36 0.02 H new ATOM 0 HA CYS A 226 -11.901 3.308 10.763 1.00 0.02 H new ATOM 0 HB2 CYS A 226 -14.162 5.083 10.228 0.20 0.02 H new ATOM 0 HB3 CYS A 226 -13.906 4.883 11.950 0.20 0.02 H new ATOM 983 N ASP A 227 -14.858 2.484 11.997 -0.36 0.02 N ATOM 984 CA ASP A 227 -15.522 1.738 13.061 1.00 0.02 C ATOM 985 C ASP A 227 -14.615 0.718 13.747 0.48 0.02 C ATOM 986 O ASP A 227 -14.155 -0.247 13.137 -0.48 0.02 O ATOM 987 CB ASP A 227 -16.779 1.079 12.497 -0.45 0.02 C ATOM 988 CG ASP A 227 -16.515 -0.271 11.852 0.49 0.02 C ATOM 989 OD1 ASP A 227 -16.214 -0.301 10.640 -0.62 0.02 O ATOM 990 OD2 ASP A 227 -16.612 -1.296 12.559 -0.62 0.02 O ATOM 0 H ASP A 227 -15.500 2.950 11.356 -0.36 0.02 H new ATOM 0 HA ASP A 227 -15.794 2.446 13.843 1.00 0.02 H new ATOM 0 HB2 ASP A 227 -17.506 0.954 13.299 -0.45 0.02 H new ATOM 0 HB3 ASP A 227 -17.229 1.744 11.760 -0.45 0.02 H new ATOM 995 N GLY A 228 -14.368 0.959 15.028 -0.36 0.02 N ATOM 996 CA GLY A 228 -13.526 0.081 15.811 -0.10 0.02 C ATOM 997 C GLY A 228 -13.521 0.465 17.276 0.48 0.02 C ATOM 998 O GLY A 228 -14.247 -0.121 18.079 -0.48 0.02 O ATOM 0 H GLY A 228 -14.742 1.757 15.542 -0.36 0.02 H new ATOM 0 HA2 GLY A 228 -13.875 -0.946 15.706 -0.10 0.02 H new ATOM 0 HA3 GLY A 228 -12.508 0.113 15.423 -0.10 0.02 H new ATOM 1002 N LYS A 229 -12.703 1.453 17.630 -0.36 0.02 N ATOM 1003 CA LYS A 229 -12.614 1.912 19.011 1.00 0.02 C ATOM 1004 C LYS A 229 -13.771 2.849 19.352 0.48 0.02 C ATOM 1005 O LYS A 229 -14.220 2.901 20.498 -0.48 0.02 O ATOM 1006 CB LYS A 229 -11.277 2.620 19.251 -0.20 0.02 C ATOM 1007 CG LYS A 229 -11.138 3.939 18.506 -0.20 0.02 C ATOM 1008 CD LYS A 229 -10.012 3.894 17.486 -0.20 0.02 C ATOM 1009 CE LYS A 229 -8.764 4.592 18.004 0.30 5.02 C ATOM 1010 NZ LYS A 229 -7.791 4.881 16.913 -0.81 0.02 N ATOM 0 H LYS A 229 -12.094 1.950 16.980 -0.36 0.02 H new ATOM 0 HA LYS A 229 -12.676 1.040 19.661 1.00 0.02 H new ATOM 0 HB2 LYS A 229 -11.160 2.803 20.319 -0.20 0.02 H new ATOM 0 HB3 LYS A 229 -10.466 1.957 18.950 -0.20 0.02 H new ATOM 0 HG2 LYS A 229 -12.076 4.173 18.002 -0.20 0.02 H new ATOM 0 HG3 LYS A 229 -10.951 4.742 19.219 -0.20 0.02 H new ATOM 0 HD2 LYS A 229 -9.777 2.857 17.247 -0.20 0.02 H new ATOM 0 HD3 LYS A 229 -10.338 4.369 16.561 -0.20 0.02 H new ATOM 0 HE2 LYS A 229 -9.047 5.524 18.493 0.30 5.02 H new ATOM 0 HE3 LYS A 229 -8.287 3.968 18.759 0.30 5.02 H new ATOM 0 HZ1 LYS A 229 -6.956 5.357 17.310 -0.81 0.02 H new ATOM 0 HZ2 LYS A 229 -7.500 3.990 16.462 -0.81 0.02 H new ATOM 0 HZ3 LYS A 229 -8.237 5.498 16.205 -0.81 0.02 H new ATOM 1024 N LYS A 230 -14.252 3.587 18.354 -0.36 0.02 N ATOM 1025 CA LYS A 230 -15.357 4.516 18.561 1.00 0.02 C ATOM 1026 C LYS A 230 -16.686 3.869 18.193 0.48 0.02 C ATOM 1027 O LYS A 230 -17.701 4.104 18.849 -0.48 0.02 O ATOM 1028 CB LYS A 230 -15.140 5.796 17.754 -0.20 0.02 C ATOM 1029 CG LYS A 230 -15.119 7.053 18.609 -0.20 0.02 C ATOM 1030 CD LYS A 230 -14.404 8.196 17.907 -0.20 0.02 C ATOM 1031 CE LYS A 230 -12.895 8.088 18.059 0.30 5.02 C ATOM 1032 NZ LYS A 230 -12.184 8.424 16.795 -0.81 0.02 N ATOM 0 H LYS A 230 -13.895 3.559 17.399 -0.36 0.02 H new ATOM 0 HA LYS A 230 -15.389 4.776 19.619 1.00 0.02 H new ATOM 0 HB2 LYS A 230 -14.198 5.719 17.211 -0.20 0.02 H new ATOM 0 HB3 LYS A 230 -15.931 5.885 17.009 -0.20 0.02 H new ATOM 0 HG2 LYS A 230 -16.141 7.352 18.843 -0.20 0.02 H new ATOM 0 HG3 LYS A 230 -14.624 6.841 19.557 -0.20 0.02 H new ATOM 0 HD2 LYS A 230 -14.665 8.194 16.849 -0.20 0.02 H new ATOM 0 HD3 LYS A 230 -14.745 9.146 18.318 -0.20 0.02 H new ATOM 0 HE2 LYS A 230 -12.561 8.757 18.852 0.30 5.02 H new ATOM 0 HE3 LYS A 230 -12.633 7.075 18.365 0.30 5.02 H new ATOM 0 HZ1 LYS A 230 -11.158 8.338 16.941 -0.81 0.02 H new ATOM 0 HZ2 LYS A 230 -12.483 7.770 16.044 -0.81 0.02 H new ATOM 0 HZ3 LYS A 230 -12.414 9.399 16.516 -0.81 0.02 H new ATOM 1046 N GLY A 231 -16.675 3.036 17.157 -0.36 0.02 N ATOM 1047 CA GLY A 231 -17.886 2.355 16.747 -0.10 0.02 C ATOM 1048 C GLY A 231 -18.737 3.153 15.777 0.48 0.02 C ATOM 1049 O GLY A 231 -19.821 3.613 16.133 -0.48 0.02 O ATOM 0 H GLY A 231 -15.850 2.822 16.596 -0.36 0.02 H new ATOM 0 HA2 GLY A 231 -17.619 1.405 16.285 -0.10 0.02 H new ATOM 0 HA3 GLY A 231 -18.479 2.124 17.632 -0.10 0.02 H new ATOM 1053 N PHE A 232 -18.266 3.295 14.540 -0.36 0.02 N ATOM 1054 CA PHE A 232 -19.029 4.017 13.527 1.00 0.02 C ATOM 1055 C PHE A 232 -18.945 3.343 12.154 0.48 0.02 C ATOM 1056 O PHE A 232 -19.217 2.149 12.043 -0.48 0.02 O ATOM 1057 CB PHE A 232 -18.645 5.488 13.457 -0.16 0.02 C ATOM 1058 CG PHE A 232 -17.186 5.834 13.455 0.03 0.02 C ATOM 1059 CD1 PHE A 232 -16.526 6.096 14.645 -0.16 0.02 C ATOM 1060 CD2 PHE A 232 -16.508 6.026 12.260 -0.16 0.02 C ATOM 1061 CE1 PHE A 232 -15.210 6.513 14.644 -0.15 0.02 C ATOM 1062 CE2 PHE A 232 -15.208 6.469 12.259 -0.15 0.02 C ATOM 1063 CZ PHE A 232 -14.553 6.707 13.449 -0.15 0.02 C ATOM 0 H PHE A 232 -17.372 2.925 14.219 -0.36 0.02 H new ATOM 0 HA PHE A 232 -20.073 3.977 13.839 1.00 0.02 H new ATOM 0 HB2 PHE A 232 -19.089 5.907 12.554 -0.16 0.02 H new ATOM 0 HB3 PHE A 232 -19.107 5.995 14.304 -0.16 0.02 H new ATOM 0 HD1 PHE A 232 -17.047 5.973 15.583 -0.16 0.02 H new ATOM 0 HD2 PHE A 232 -17.006 5.826 11.323 -0.16 0.02 H new ATOM 0 HE1 PHE A 232 -14.697 6.687 15.578 -0.15 0.02 H new ATOM 0 HE2 PHE A 232 -14.696 6.632 11.322 -0.15 0.02 H new ATOM 0 HZ PHE A 232 -13.527 7.045 13.444 -0.15 0.02 H new ATOM 1073 N LYS A 233 -18.623 4.101 11.100 -0.36 0.02 N ATOM 1074 CA LYS A 233 -18.572 3.533 9.761 1.00 0.02 C ATOM 1075 C LYS A 233 -17.649 4.318 8.835 0.48 0.02 C ATOM 1076 O LYS A 233 -17.063 5.328 9.223 -0.48 0.02 O ATOM 1077 CB LYS A 233 -19.975 3.553 9.183 -0.20 0.02 C ATOM 1078 CG LYS A 233 -20.726 2.239 9.335 -0.20 0.02 C ATOM 1079 CD LYS A 233 -22.213 2.413 9.066 -0.20 0.02 C ATOM 1080 CE LYS A 233 -22.638 1.700 7.792 0.30 5.02 C ATOM 1081 NZ LYS A 233 -23.182 0.343 8.071 -0.81 0.02 N ATOM 0 H LYS A 233 -18.398 5.094 11.152 -0.36 0.02 H new ATOM 0 HA LYS A 233 -18.181 2.519 9.836 1.00 0.02 H new ATOM 0 HB2 LYS A 233 -20.546 4.344 9.669 -0.20 0.02 H new ATOM 0 HB3 LYS A 233 -19.917 3.806 8.124 -0.20 0.02 H new ATOM 0 HG2 LYS A 233 -20.314 1.502 8.646 -0.20 0.02 H new ATOM 0 HG3 LYS A 233 -20.580 1.850 10.343 -0.20 0.02 H new ATOM 0 HD2 LYS A 233 -22.784 2.024 9.909 -0.20 0.02 H new ATOM 0 HD3 LYS A 233 -22.447 3.474 8.985 -0.20 0.02 H new ATOM 0 HE2 LYS A 233 -23.393 2.295 7.277 0.30 5.02 H new ATOM 0 HE3 LYS A 233 -21.784 1.618 7.120 0.30 5.02 H new ATOM 0 HZ1 LYS A 233 -23.460 -0.110 7.177 -0.81 0.02 H new ATOM 0 HZ2 LYS A 233 -22.454 -0.233 8.539 -0.81 0.02 H new ATOM 0 HZ3 LYS A 233 -24.013 0.423 8.692 -0.81 0.02 H new ATOM 1095 N LEU A 234 -17.545 3.847 7.594 -0.36 0.02 N ATOM 1096 CA LEU A 234 -16.719 4.501 6.589 1.00 0.02 C ATOM 1097 C LEU A 234 -17.599 5.096 5.489 0.48 0.02 C ATOM 1098 O LEU A 234 -18.438 4.404 4.913 -0.48 0.02 O ATOM 1099 CB LEU A 234 -15.694 3.509 6.010 -0.20 0.02 C ATOM 1100 CG LEU A 234 -15.749 3.281 4.493 -0.10 0.02 C ATOM 1101 CD1 LEU A 234 -15.190 4.483 3.749 -0.30 0.02 C ATOM 1102 CD2 LEU A 234 -14.983 2.021 4.116 -0.30 0.02 C ATOM 0 H LEU A 234 -18.026 3.011 7.262 -0.36 0.02 H new ATOM 0 HA LEU A 234 -16.167 5.316 7.058 1.00 0.02 H new ATOM 0 HB2 LEU A 234 -14.695 3.861 6.267 -0.20 0.02 H new ATOM 0 HB3 LEU A 234 -15.831 2.548 6.505 -0.20 0.02 H new ATOM 0 HG LEU A 234 -16.792 3.153 4.204 -0.10 0.02 H new ATOM 0 HD11 LEU A 234 -15.238 4.301 2.675 -0.30 0.02 H new ATOM 0 HD12 LEU A 234 -15.778 5.368 3.994 -0.30 0.02 H new ATOM 0 HD13 LEU A 234 -14.153 4.643 4.044 -0.30 0.02 H new ATOM 0 HD21 LEU A 234 -15.032 1.874 3.037 -0.30 0.02 H new ATOM 0 HD22 LEU A 234 -13.942 2.123 4.421 -0.30 0.02 H new ATOM 0 HD23 LEU A 234 -15.426 1.162 4.619 -0.30 0.02 H new ATOM 1114 N ALA A 235 -17.415 6.387 5.219 -0.36 0.02 N ATOM 1115 CA ALA A 235 -18.202 7.084 4.204 1.00 0.02 C ATOM 1116 C ALA A 235 -18.208 6.339 2.873 0.48 0.02 C ATOM 1117 O ALA A 235 -17.682 5.231 2.763 -0.48 0.02 O ATOM 1118 CB ALA A 235 -17.672 8.496 4.007 -0.30 0.02 C ATOM 0 H ALA A 235 -16.726 6.973 5.691 -0.36 0.02 H new ATOM 0 HA ALA A 235 -19.231 7.127 4.562 1.00 0.02 H new ATOM 0 HB1 ALA A 235 -18.266 9.005 3.248 -0.30 0.02 H new ATOM 0 HB2 ALA A 235 -17.737 9.044 4.947 -0.30 0.02 H new ATOM 0 HB3 ALA A 235 -16.632 8.452 3.684 -0.30 0.02 H new ATOM 1124 N GLN A 236 -18.812 6.958 1.863 -0.36 0.02 N ATOM 1125 CA GLN A 236 -18.897 6.358 0.537 1.00 0.02 C ATOM 1126 C GLN A 236 -17.678 6.699 -0.319 0.48 0.02 C ATOM 1127 O GLN A 236 -17.695 6.506 -1.535 -0.48 0.02 O ATOM 1128 CB GLN A 236 -20.173 6.818 -0.170 -0.20 0.02 C ATOM 1129 CG GLN A 236 -21.449 6.369 0.524 -0.20 0.02 C ATOM 1130 CD GLN A 236 -22.550 7.409 0.450 0.48 0.02 C ATOM 1131 OE1 GLN A 236 -22.581 8.354 1.238 -0.48 0.02 O ATOM 1132 NE2 GLN A 236 -23.462 7.239 -0.500 -0.52 0.02 N ATOM 0 H GLN A 236 -19.250 7.876 1.938 -0.36 0.02 H new ATOM 0 HA GLN A 236 -18.922 5.276 0.668 1.00 0.02 H new ATOM 0 HB2 GLN A 236 -20.169 7.906 -0.237 -0.20 0.02 H new ATOM 0 HB3 GLN A 236 -20.171 6.436 -1.191 -0.20 0.02 H new ATOM 0 HG2 GLN A 236 -21.799 5.442 0.069 -0.20 0.02 H new ATOM 0 HG3 GLN A 236 -21.232 6.149 1.569 -0.20 0.02 H new ATOM 0 HE21 GLN A 236 -23.398 6.441 -1.132 -0.52 0.02 H new ATOM 0 HE22 GLN A 236 -24.227 7.907 -0.598 -0.52 0.02 H new ATOM 1141 N ASP A 237 -16.619 7.193 0.314 -0.36 0.02 N ATOM 1142 CA ASP A 237 -15.396 7.539 -0.407 1.00 0.02 C ATOM 1143 C ASP A 237 -14.483 6.323 -0.513 0.48 0.02 C ATOM 1144 O ASP A 237 -13.693 6.203 -1.450 -0.48 0.02 O ATOM 1145 CB ASP A 237 -14.655 8.689 0.287 -0.45 0.02 C ATOM 1146 CG ASP A 237 -15.590 9.638 1.015 0.49 0.02 C ATOM 1147 OD1 ASP A 237 -16.357 10.352 0.336 -0.62 0.02 O ATOM 1148 OD2 ASP A 237 -15.554 9.666 2.263 -0.62 0.02 O ATOM 0 H ASP A 237 -16.581 7.363 1.319 -0.36 0.02 H new ATOM 0 HA ASP A 237 -15.676 7.865 -1.409 1.00 0.02 H new ATOM 0 HB2 ASP A 237 -13.938 8.277 0.997 -0.45 0.02 H new ATOM 0 HB3 ASP A 237 -14.084 9.247 -0.455 -0.45 0.02 H new ATOM 1153 N GLN A 238 -14.600 5.421 0.459 -0.36 0.02 N ATOM 1154 CA GLN A 238 -13.793 4.205 0.493 1.00 0.02 C ATOM 1155 C GLN A 238 -12.358 4.510 0.910 0.48 0.02 C ATOM 1156 O GLN A 238 -11.437 3.759 0.590 -0.48 0.02 O ATOM 1157 CB GLN A 238 -13.803 3.506 -0.870 -0.20 0.02 C ATOM 1158 CG GLN A 238 -15.160 3.526 -1.556 -0.20 0.02 C ATOM 1159 CD GLN A 238 -15.320 2.402 -2.562 0.48 0.02 C ATOM 1160 OE1 GLN A 238 -14.485 1.501 -2.641 -0.48 0.02 O ATOM 1161 NE2 GLN A 238 -16.397 2.450 -3.337 -0.52 0.02 N ATOM 0 H GLN A 238 -15.251 5.511 1.239 -0.36 0.02 H new ATOM 0 HA GLN A 238 -14.235 3.538 1.233 1.00 0.02 H new ATOM 0 HB2 GLN A 238 -13.070 3.985 -1.520 -0.20 0.02 H new ATOM 0 HB3 GLN A 238 -13.486 2.471 -0.740 -0.20 0.02 H new ATOM 0 HG2 GLN A 238 -15.945 3.450 -0.803 -0.20 0.02 H new ATOM 0 HG3 GLN A 238 -15.294 4.483 -2.061 -0.20 0.02 H new ATOM 0 HE21 GLN A 238 -17.063 3.216 -3.237 -0.52 0.02 H new ATOM 0 HE22 GLN A 238 -16.558 1.721 -4.032 -0.52 0.02 H new ATOM 1170 N LYS A 239 -12.175 5.611 1.634 -0.36 0.02 N ATOM 1171 CA LYS A 239 -10.854 6.011 2.107 1.00 0.02 C ATOM 1172 C LYS A 239 -10.967 6.671 3.478 0.48 0.02 C ATOM 1173 O LYS A 239 -10.205 6.364 4.394 -0.48 0.02 O ATOM 1174 CB LYS A 239 -10.195 6.974 1.116 -0.20 0.02 C ATOM 1175 CG LYS A 239 -10.263 6.509 -0.330 -0.20 0.02 C ATOM 1176 CD LYS A 239 -9.290 5.370 -0.598 -0.20 0.02 C ATOM 1177 CE LYS A 239 -8.398 5.665 -1.793 0.30 5.02 C ATOM 1178 NZ LYS A 239 -8.857 4.952 -3.017 -0.81 0.02 N ATOM 0 H LYS A 239 -12.928 6.243 1.906 -0.36 0.02 H new ATOM 0 HA LYS A 239 -10.232 5.119 2.190 1.00 0.02 H new ATOM 0 HB2 LYS A 239 -10.676 7.949 1.197 -0.20 0.02 H new ATOM 0 HB3 LYS A 239 -9.150 7.109 1.396 -0.20 0.02 H new ATOM 0 HG2 LYS A 239 -11.277 6.184 -0.561 -0.20 0.02 H new ATOM 0 HG3 LYS A 239 -10.037 7.345 -0.993 -0.20 0.02 H new ATOM 0 HD2 LYS A 239 -8.673 5.203 0.285 -0.20 0.02 H new ATOM 0 HD3 LYS A 239 -9.846 4.450 -0.777 -0.20 0.02 H new ATOM 0 HE2 LYS A 239 -8.386 6.739 -1.981 0.30 5.02 H new ATOM 0 HE3 LYS A 239 -7.374 5.370 -1.563 0.30 5.02 H new ATOM 0 HZ1 LYS A 239 -8.223 5.179 -3.809 -0.81 0.02 H new ATOM 0 HZ2 LYS A 239 -8.844 3.926 -2.846 -0.81 0.02 H new ATOM 0 HZ3 LYS A 239 -9.825 5.252 -3.251 -0.81 0.02 H new ATOM 1192 N SER A 240 -11.938 7.570 3.613 -0.36 0.02 N ATOM 1193 CA SER A 240 -12.173 8.262 4.874 1.00 0.02 C ATOM 1194 C SER A 240 -13.302 7.575 5.632 0.48 0.02 C ATOM 1195 O SER A 240 -13.870 6.597 5.148 -0.48 0.02 O ATOM 1196 CB SER A 240 -12.518 9.731 4.627 0.08 0.02 C ATOM 1197 OG SER A 240 -12.056 10.157 3.356 -0.68 0.02 O ATOM 0 H SER A 240 -12.575 7.836 2.862 -0.36 0.02 H new ATOM 0 HA SER A 240 -11.263 8.222 5.472 1.00 0.02 H new ATOM 0 HB2 SER A 240 -13.597 9.870 4.690 0.08 0.02 H new ATOM 0 HB3 SER A 240 -12.071 10.349 5.406 0.08 0.02 H new ATOM 0 HG SER A 240 -12.290 11.099 3.222 -0.68 0.02 H new ATOM 1203 N CYS A 241 -13.612 8.063 6.827 -0.36 0.02 N ATOM 1204 CA CYS A 241 -14.660 7.445 7.629 1.00 0.02 C ATOM 1205 C CYS A 241 -15.609 8.459 8.258 0.48 0.02 C ATOM 1206 O CYS A 241 -15.224 9.584 8.578 -0.48 0.02 O ATOM 1207 CB CYS A 241 -14.034 6.602 8.725 0.20 0.02 C ATOM 1208 SG CYS A 241 -12.754 7.470 9.680 -0.20 0.02 S ATOM 0 H CYS A 241 -13.161 8.871 7.256 -0.36 0.02 H new ATOM 0 HA CYS A 241 -15.250 6.827 6.952 1.00 0.02 H new ATOM 0 HB2 CYS A 241 -14.817 6.268 9.405 0.20 0.02 H new ATOM 0 HB3 CYS A 241 -13.597 5.709 8.278 0.20 0.02 H new ATOM 1213 N GLU A 242 -16.857 8.028 8.446 -0.36 0.02 N ATOM 1214 CA GLU A 242 -17.886 8.864 9.054 1.00 0.02 C ATOM 1215 C GLU A 242 -18.809 8.032 9.950 0.48 0.02 C ATOM 1216 O GLU A 242 -19.072 6.860 9.672 -0.48 0.02 O ATOM 1217 CB GLU A 242 -18.705 9.569 7.972 -0.20 0.02 C ATOM 1218 CG GLU A 242 -18.140 10.919 7.564 -0.45 0.02 C ATOM 1219 CD GLU A 242 -17.965 11.858 8.741 0.49 0.02 C ATOM 1220 OE1 GLU A 242 -18.982 12.396 9.227 -0.62 0.02 O ATOM 1221 OE2 GLU A 242 -16.812 12.056 9.177 -0.62 0.02 O ATOM 0 H GLU A 242 -17.179 7.097 8.183 -0.36 0.02 H new ATOM 0 HA GLU A 242 -17.391 9.614 9.671 1.00 0.02 H new ATOM 0 HB2 GLU A 242 -18.759 8.927 7.093 -0.20 0.02 H new ATOM 0 HB3 GLU A 242 -19.725 9.705 8.331 -0.20 0.02 H new ATOM 0 HG2 GLU A 242 -17.177 10.773 7.075 -0.45 0.02 H new ATOM 0 HG3 GLU A 242 -18.803 11.380 6.832 -0.45 0.02 H new ATOM 1228 N VAL A 243 -19.299 8.646 11.023 -0.36 0.02 N ATOM 1229 CA VAL A 243 -20.190 7.989 11.953 1.00 0.02 C ATOM 1230 C VAL A 243 -21.607 7.902 11.394 0.48 0.02 C ATOM 1231 O VAL A 243 -21.937 8.560 10.408 -0.48 0.02 O ATOM 1232 CB VAL A 243 -20.211 8.758 13.280 -0.10 0.02 C ATOM 1233 CG1 VAL A 243 -18.798 8.959 13.804 -0.30 0.02 C ATOM 1234 CG2 VAL A 243 -20.925 10.094 13.123 -0.30 0.02 C ATOM 0 H VAL A 243 -19.085 9.613 11.266 -0.36 0.02 H new ATOM 0 HA VAL A 243 -19.822 6.976 12.116 1.00 0.02 H new ATOM 0 HB VAL A 243 -20.765 8.165 14.008 -0.10 0.02 H new ATOM 0 HG11 VAL A 243 -18.834 9.506 14.746 -0.30 0.02 H new ATOM 0 HG12 VAL A 243 -18.328 7.989 13.966 -0.30 0.02 H new ATOM 0 HG13 VAL A 243 -18.217 9.526 13.077 -0.30 0.02 H new ATOM 0 HG21 VAL A 243 -20.927 10.620 14.078 -0.30 0.02 H new ATOM 0 HG22 VAL A 243 -20.408 10.697 12.377 -0.30 0.02 H new ATOM 0 HG23 VAL A 243 -21.952 9.922 12.802 -0.30 0.02 H new