USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 498 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 183 LYS NZ :NH3+ 141:sc= -2.15! (180deg=-4.47!) USER MOD Set 1.2: A 229 THR OG1 : rot 180:sc=-0.00356 USER MOD Single : A 193 THR OG1 : rot 48:sc= -4.24! USER MOD Single : A 197 LYS NZ :NH3+ -157:sc= -0.0992 (180deg=-0.425) USER MOD Single : A 201 TYR OH : rot 180:sc= 0 USER MOD Single : A 210 SER OG : rot 6:sc= 0.402 USER MOD Single : A 226 CYS SG : rot -5:sc= 1.02 USER MOD Single : A 231 LYS NZ :NH3+ 158:sc= 1.11 (180deg=0.179) USER MOD Single : A 237 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 HIS :FLIP no HD1:sc= -21.2! C(o=-27!,f=-21!) USER MOD Single : A 246 ASN : amide:sc= -0.759 K(o=-0.76,f=-3!) USER MOD Single : A 250 SER OG : rot 83:sc= 1.25 USER MOD Single : A 251 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 252 CYS SG : rot 180:sc= 0.136 USER MOD Single : A 255 LYS NZ :NH3+ -174:sc= -1.07 (180deg=-1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 183 -0.756 8.294 -5.023 1.00 0.00 N ATOM 2 CA LYS A 183 -0.576 7.116 -5.920 1.00 0.00 C ATOM 3 C LYS A 183 -0.963 5.885 -5.120 1.00 0.00 C ATOM 4 O LYS A 183 -0.953 5.918 -3.912 1.00 0.00 O ATOM 5 CB LYS A 183 0.906 7.126 -6.273 1.00 0.00 C ATOM 6 CG LYS A 183 1.433 5.701 -6.544 1.00 0.00 C ATOM 7 CD LYS A 183 1.862 5.627 -7.998 1.00 0.00 C ATOM 8 CE LYS A 183 3.387 5.719 -8.090 1.00 0.00 C ATOM 9 NZ LYS A 183 3.680 7.176 -8.202 1.00 0.00 N ATOM 0 HA LYS A 183 -1.180 7.131 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 183 1.067 7.748 -7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 183 1.472 7.575 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 183 2.273 5.474 -5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.658 4.963 -6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.517 4.693 -8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.404 6.438 -8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.862 5.288 -7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.764 5.173 -8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.529 7.403 -7.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 3.844 7.421 -9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 2.872 7.721 -7.840 1.00 0.00 H new ATOM 23 N ILE A 184 -1.298 4.799 -5.746 1.00 0.00 N ATOM 24 CA ILE A 184 -1.658 3.621 -4.931 1.00 0.00 C ATOM 25 C ILE A 184 -0.894 2.378 -5.399 1.00 0.00 C ATOM 26 O ILE A 184 -0.040 2.450 -6.261 1.00 0.00 O ATOM 27 CB ILE A 184 -3.164 3.440 -5.106 1.00 0.00 C ATOM 28 CG1 ILE A 184 -3.459 2.946 -6.525 1.00 0.00 C ATOM 29 CG2 ILE A 184 -3.868 4.777 -4.874 1.00 0.00 C ATOM 30 CD1 ILE A 184 -3.976 1.507 -6.467 1.00 0.00 C ATOM 0 H ILE A 184 -1.337 4.678 -6.758 1.00 0.00 H new ATOM 0 HA ILE A 184 -1.395 3.764 -3.883 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.528 2.708 -4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.199 3.591 -7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.556 2.995 -7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -4.943 4.649 -4.999 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -3.659 5.128 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -3.504 5.510 -5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -4.186 1.155 -7.477 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -3.221 0.867 -6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -4.889 1.472 -5.873 1.00 0.00 H new ATOM 42 N PHE A 185 -1.179 1.238 -4.820 1.00 0.00 N ATOM 43 CA PHE A 185 -0.446 0.002 -5.220 1.00 0.00 C ATOM 44 C PHE A 185 -1.311 -1.252 -5.025 1.00 0.00 C ATOM 45 O PHE A 185 -1.778 -1.535 -3.945 1.00 0.00 O ATOM 46 CB PHE A 185 0.792 0.006 -4.306 1.00 0.00 C ATOM 47 CG PHE A 185 1.085 -1.370 -3.734 1.00 0.00 C ATOM 48 CD1 PHE A 185 1.134 -2.492 -4.571 1.00 0.00 C ATOM 49 CD2 PHE A 185 1.309 -1.516 -2.360 1.00 0.00 C ATOM 50 CE1 PHE A 185 1.405 -3.756 -4.030 1.00 0.00 C ATOM 51 CE2 PHE A 185 1.579 -2.779 -1.821 1.00 0.00 C ATOM 52 CZ PHE A 185 1.628 -3.898 -2.656 1.00 0.00 C ATOM 0 H PHE A 185 -1.883 1.112 -4.093 1.00 0.00 H new ATOM 0 HA PHE A 185 -0.179 -0.014 -6.277 1.00 0.00 H new ATOM 0 HB2 PHE A 185 1.657 0.355 -4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 185 0.637 0.712 -3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 185 0.963 -2.383 -5.632 1.00 0.00 H new ATOM 0 HD2 PHE A 185 1.273 -0.651 -1.714 1.00 0.00 H new ATOM 0 HE1 PHE A 185 1.442 -4.622 -4.675 1.00 0.00 H new ATOM 0 HE2 PHE A 185 1.749 -2.889 -0.760 1.00 0.00 H new ATOM 0 HZ PHE A 185 1.838 -4.873 -2.241 1.00 0.00 H new ATOM 62 N VAL A 186 -1.498 -2.025 -6.064 1.00 0.00 N ATOM 63 CA VAL A 186 -2.304 -3.273 -5.926 1.00 0.00 C ATOM 64 C VAL A 186 -1.370 -4.447 -5.629 1.00 0.00 C ATOM 65 O VAL A 186 -0.394 -4.658 -6.324 1.00 0.00 O ATOM 66 CB VAL A 186 -3.000 -3.470 -7.272 1.00 0.00 C ATOM 67 CG1 VAL A 186 -3.821 -4.769 -7.238 1.00 0.00 C ATOM 68 CG2 VAL A 186 -3.931 -2.286 -7.538 1.00 0.00 C ATOM 0 H VAL A 186 -1.129 -1.846 -6.998 1.00 0.00 H new ATOM 0 HA VAL A 186 -3.029 -3.210 -5.114 1.00 0.00 H new ATOM 0 HB VAL A 186 -2.254 -3.533 -8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 186 -4.318 -4.911 -8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 186 -3.159 -5.613 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 186 -4.569 -4.706 -6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 186 -4.429 -2.423 -8.498 1.00 0.00 H new ATOM 0 HG22 VAL A 186 -4.678 -2.226 -6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 186 -3.350 -1.364 -7.560 1.00 0.00 H new ATOM 78 N GLY A 187 -1.648 -5.202 -4.599 1.00 0.00 N ATOM 79 CA GLY A 187 -0.754 -6.350 -4.260 1.00 0.00 C ATOM 80 C GLY A 187 -1.404 -7.674 -4.653 1.00 0.00 C ATOM 81 O GLY A 187 -1.612 -8.548 -3.836 1.00 0.00 O ATOM 0 H GLY A 187 -2.450 -5.076 -3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 187 0.199 -6.240 -4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -0.540 -6.347 -3.191 1.00 0.00 H new ATOM 148 N THR A 193 0.057 -5.610 -16.014 1.00 0.00 N ATOM 149 CA THR A 193 -0.988 -4.788 -15.335 1.00 0.00 C ATOM 150 C THR A 193 -2.025 -4.289 -16.363 1.00 0.00 C ATOM 151 O THR A 193 -1.663 -3.684 -17.352 1.00 0.00 O ATOM 152 CB THR A 193 -0.214 -3.622 -14.710 1.00 0.00 C ATOM 153 OG1 THR A 193 0.313 -4.032 -13.456 1.00 0.00 O ATOM 154 CG2 THR A 193 -1.147 -2.425 -14.501 1.00 0.00 C ATOM 0 HA THR A 193 -1.548 -5.348 -14.586 1.00 0.00 H new ATOM 0 HB THR A 193 0.597 -3.330 -15.377 1.00 0.00 H new ATOM 0 HG1 THR A 193 0.752 -4.902 -13.555 1.00 0.00 H new ATOM 0 HG21 THR A 193 -0.588 -1.601 -14.056 1.00 0.00 H new ATOM 0 HG22 THR A 193 -1.555 -2.110 -15.461 1.00 0.00 H new ATOM 0 HG23 THR A 193 -1.962 -2.711 -13.836 1.00 0.00 H new ATOM 162 N PRO A 194 -3.284 -4.570 -16.103 1.00 0.00 N ATOM 163 CA PRO A 194 -4.374 -4.154 -17.025 1.00 0.00 C ATOM 164 C PRO A 194 -4.543 -2.629 -17.061 1.00 0.00 C ATOM 165 O PRO A 194 -5.598 -2.119 -16.770 1.00 0.00 O ATOM 166 CB PRO A 194 -5.609 -4.813 -16.402 1.00 0.00 C ATOM 167 CG PRO A 194 -5.179 -5.577 -15.136 1.00 0.00 C ATOM 168 CD PRO A 194 -3.689 -5.318 -14.889 1.00 0.00 C ATOM 0 HA PRO A 194 -4.185 -4.446 -18.058 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -6.354 -4.058 -16.152 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -6.073 -5.495 -17.115 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -5.767 -5.249 -14.279 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -5.362 -6.645 -15.258 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -3.524 -4.737 -13.981 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -3.129 -6.247 -14.780 1.00 0.00 H new ATOM 176 N GLU A 195 -3.519 -1.907 -17.420 1.00 0.00 N ATOM 177 CA GLU A 195 -3.610 -0.417 -17.481 1.00 0.00 C ATOM 178 C GLU A 195 -4.961 0.041 -17.976 1.00 0.00 C ATOM 179 O GLU A 195 -5.716 0.657 -17.265 1.00 0.00 O ATOM 180 CB GLU A 195 -2.608 0.011 -18.540 1.00 0.00 C ATOM 181 CG GLU A 195 -1.511 0.863 -17.906 1.00 0.00 C ATOM 182 CD GLU A 195 -0.161 0.163 -18.068 1.00 0.00 C ATOM 183 OE1 GLU A 195 0.024 -0.875 -17.454 1.00 0.00 O ATOM 184 OE2 GLU A 195 0.666 0.679 -18.802 1.00 0.00 O ATOM 0 H GLU A 195 -2.609 -2.289 -17.678 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.434 -0.001 -16.489 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -2.170 -0.867 -19.014 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -3.113 0.577 -19.323 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -1.482 1.846 -18.377 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -1.725 1.022 -16.849 1.00 0.00 H new ATOM 191 N GLU A 196 -5.255 -0.212 -19.213 1.00 0.00 N ATOM 192 CA GLU A 196 -6.539 0.267 -19.747 1.00 0.00 C ATOM 193 C GLU A 196 -7.648 -0.101 -18.768 1.00 0.00 C ATOM 194 O GLU A 196 -8.559 0.664 -18.517 1.00 0.00 O ATOM 195 CB GLU A 196 -6.725 -0.438 -21.091 1.00 0.00 C ATOM 196 CG GLU A 196 -6.932 0.605 -22.192 1.00 0.00 C ATOM 197 CD GLU A 196 -7.067 -0.100 -23.543 1.00 0.00 C ATOM 198 OE1 GLU A 196 -6.107 -0.725 -23.961 1.00 0.00 O ATOM 199 OE2 GLU A 196 -8.129 -0.005 -24.135 1.00 0.00 O ATOM 0 H GLU A 196 -4.665 -0.725 -19.868 1.00 0.00 H new ATOM 0 HA GLU A 196 -6.564 1.349 -19.880 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -5.852 -1.051 -21.316 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -7.583 -1.109 -21.046 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -7.826 1.194 -21.986 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -6.091 1.298 -22.214 1.00 0.00 H new ATOM 206 N LYS A 197 -7.548 -1.260 -18.185 1.00 0.00 N ATOM 207 CA LYS A 197 -8.563 -1.680 -17.181 1.00 0.00 C ATOM 208 C LYS A 197 -8.261 -0.948 -15.875 1.00 0.00 C ATOM 209 O LYS A 197 -9.131 -0.668 -15.076 1.00 0.00 O ATOM 210 CB LYS A 197 -8.371 -3.189 -17.021 1.00 0.00 C ATOM 211 CG LYS A 197 -9.643 -3.917 -17.459 1.00 0.00 C ATOM 212 CD LYS A 197 -9.321 -5.387 -17.733 1.00 0.00 C ATOM 213 CE LYS A 197 -10.066 -6.268 -16.727 1.00 0.00 C ATOM 214 NZ LYS A 197 -9.046 -6.627 -15.702 1.00 0.00 N ATOM 0 H LYS A 197 -6.805 -1.937 -18.360 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.588 -1.450 -17.472 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -7.524 -3.524 -17.620 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -8.142 -3.429 -15.983 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -10.405 -3.839 -16.683 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -10.052 -3.450 -18.355 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -9.612 -5.651 -18.750 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -8.247 -5.556 -17.655 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -10.905 -5.734 -16.280 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -10.474 -7.158 -17.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -9.333 -7.501 -15.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -8.126 -6.774 -16.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -8.966 -5.857 -15.008 1.00 0.00 H new ATOM 228 N ILE A 198 -7.013 -0.623 -15.682 1.00 0.00 N ATOM 229 CA ILE A 198 -6.591 0.110 -14.465 1.00 0.00 C ATOM 230 C ILE A 198 -7.203 1.511 -14.506 1.00 0.00 C ATOM 231 O ILE A 198 -7.910 1.926 -13.608 1.00 0.00 O ATOM 232 CB ILE A 198 -5.043 0.128 -14.542 1.00 0.00 C ATOM 233 CG1 ILE A 198 -4.495 -0.382 -13.219 1.00 0.00 C ATOM 234 CG2 ILE A 198 -4.505 1.549 -14.758 1.00 0.00 C ATOM 235 CD1 ILE A 198 -4.892 -1.845 -13.024 1.00 0.00 C ATOM 0 H ILE A 198 -6.257 -0.841 -16.331 1.00 0.00 H new ATOM 0 HA ILE A 198 -6.918 -0.342 -13.529 1.00 0.00 H new ATOM 0 HB ILE A 198 -4.733 -0.495 -15.381 1.00 0.00 H new ATOM 0 HG12 ILE A 198 -3.409 -0.285 -13.203 1.00 0.00 H new ATOM 0 HG13 ILE A 198 -4.881 0.222 -12.398 1.00 0.00 H new ATOM 0 HG21 ILE A 198 -3.416 1.522 -14.807 1.00 0.00 H new ATOM 0 HG22 ILE A 198 -4.900 1.950 -15.691 1.00 0.00 H new ATOM 0 HG23 ILE A 198 -4.816 2.185 -13.929 1.00 0.00 H new ATOM 0 HD11 ILE A 198 -4.497 -2.206 -12.074 1.00 0.00 H new ATOM 0 HD12 ILE A 198 -5.979 -1.930 -13.020 1.00 0.00 H new ATOM 0 HD13 ILE A 198 -4.484 -2.444 -13.838 1.00 0.00 H new ATOM 247 N ARG A 199 -6.954 2.226 -15.564 1.00 0.00 N ATOM 248 CA ARG A 199 -7.533 3.585 -15.708 1.00 0.00 C ATOM 249 C ARG A 199 -9.053 3.480 -15.587 1.00 0.00 C ATOM 250 O ARG A 199 -9.704 4.320 -14.999 1.00 0.00 O ATOM 251 CB ARG A 199 -7.133 4.024 -17.122 1.00 0.00 C ATOM 252 CG ARG A 199 -5.813 4.794 -17.067 1.00 0.00 C ATOM 253 CD ARG A 199 -4.898 4.321 -18.200 1.00 0.00 C ATOM 254 NE ARG A 199 -3.601 5.016 -17.965 1.00 0.00 N ATOM 255 CZ ARG A 199 -2.775 5.206 -18.959 1.00 0.00 C ATOM 256 NH1 ARG A 199 -3.007 6.149 -19.829 1.00 0.00 N ATOM 257 NH2 ARG A 199 -1.717 4.451 -19.083 1.00 0.00 N ATOM 0 H ARG A 199 -6.368 1.923 -16.342 1.00 0.00 H new ATOM 0 HA ARG A 199 -7.186 4.291 -14.954 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -7.030 3.153 -17.769 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -7.913 4.651 -17.553 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -6.000 5.864 -17.159 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -5.328 4.637 -16.104 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -4.774 3.238 -18.181 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -5.312 4.578 -19.175 1.00 0.00 H new ATOM 0 HE ARG A 199 -3.359 5.343 -17.030 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -3.834 6.739 -19.734 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -2.362 6.297 -20.605 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -1.535 3.712 -18.404 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -1.072 4.600 -19.859 1.00 0.00 H new ATOM 271 N GLU A 200 -9.617 2.436 -16.138 1.00 0.00 N ATOM 272 CA GLU A 200 -11.093 2.243 -16.060 1.00 0.00 C ATOM 273 C GLU A 200 -11.561 2.334 -14.632 1.00 0.00 C ATOM 274 O GLU A 200 -12.505 3.036 -14.329 1.00 0.00 O ATOM 275 CB GLU A 200 -11.349 0.845 -16.625 1.00 0.00 C ATOM 276 CG GLU A 200 -11.732 0.953 -18.101 1.00 0.00 C ATOM 277 CD GLU A 200 -13.240 0.750 -18.251 1.00 0.00 C ATOM 278 OE1 GLU A 200 -13.693 -0.363 -18.036 1.00 0.00 O ATOM 279 OE2 GLU A 200 -13.918 1.710 -18.577 1.00 0.00 O ATOM 0 H GLU A 200 -9.114 1.705 -16.641 1.00 0.00 H new ATOM 0 HA GLU A 200 -11.634 3.008 -16.617 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -10.458 0.228 -16.514 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -12.147 0.356 -16.066 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -11.445 1.929 -18.492 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -11.194 0.205 -18.683 1.00 0.00 H new ATOM 286 N TYR A 201 -10.934 1.646 -13.742 1.00 0.00 N ATOM 287 CA TYR A 201 -11.408 1.748 -12.357 1.00 0.00 C ATOM 288 C TYR A 201 -10.675 2.872 -11.645 1.00 0.00 C ATOM 289 O TYR A 201 -11.240 3.906 -11.355 1.00 0.00 O ATOM 290 CB TYR A 201 -11.098 0.409 -11.695 1.00 0.00 C ATOM 291 CG TYR A 201 -12.141 0.111 -10.648 1.00 0.00 C ATOM 292 CD1 TYR A 201 -13.498 0.308 -10.935 1.00 0.00 C ATOM 293 CD2 TYR A 201 -11.754 -0.362 -9.388 1.00 0.00 C ATOM 294 CE1 TYR A 201 -14.466 0.032 -9.962 1.00 0.00 C ATOM 295 CE2 TYR A 201 -12.723 -0.638 -8.416 1.00 0.00 C ATOM 296 CZ TYR A 201 -14.079 -0.440 -8.704 1.00 0.00 C ATOM 297 OH TYR A 201 -15.034 -0.712 -7.745 1.00 0.00 O ATOM 0 H TYR A 201 -10.135 1.033 -13.906 1.00 0.00 H new ATOM 0 HA TYR A 201 -12.475 1.967 -12.313 1.00 0.00 H new ATOM 0 HB2 TYR A 201 -11.082 -0.383 -12.443 1.00 0.00 H new ATOM 0 HB3 TYR A 201 -10.108 0.437 -11.240 1.00 0.00 H new ATOM 0 HD1 TYR A 201 -13.797 0.673 -11.907 1.00 0.00 H new ATOM 0 HD2 TYR A 201 -10.708 -0.514 -9.166 1.00 0.00 H new ATOM 0 HE1 TYR A 201 -15.512 0.184 -10.183 1.00 0.00 H new ATOM 0 HE2 TYR A 201 -12.425 -1.003 -7.444 1.00 0.00 H new ATOM 0 HH TYR A 201 -14.596 -1.033 -6.929 1.00 0.00 H new ATOM 307 N PHE A 202 -9.418 2.677 -11.360 1.00 0.00 N ATOM 308 CA PHE A 202 -8.655 3.735 -10.659 1.00 0.00 C ATOM 309 C PHE A 202 -8.849 5.068 -11.375 1.00 0.00 C ATOM 310 O PHE A 202 -9.285 6.042 -10.789 1.00 0.00 O ATOM 311 CB PHE A 202 -7.192 3.284 -10.700 1.00 0.00 C ATOM 312 CG PHE A 202 -7.079 1.868 -10.200 1.00 0.00 C ATOM 313 CD1 PHE A 202 -8.065 1.324 -9.363 1.00 0.00 C ATOM 314 CD2 PHE A 202 -5.985 1.094 -10.587 1.00 0.00 C ATOM 315 CE1 PHE A 202 -7.948 0.001 -8.917 1.00 0.00 C ATOM 316 CE2 PHE A 202 -5.867 -0.227 -10.143 1.00 0.00 C ATOM 317 CZ PHE A 202 -6.850 -0.775 -9.309 1.00 0.00 C ATOM 0 H PHE A 202 -8.891 1.832 -11.583 1.00 0.00 H new ATOM 0 HA PHE A 202 -8.987 3.878 -9.631 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -6.810 3.351 -11.719 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -6.581 3.946 -10.086 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -8.912 1.924 -9.063 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -5.227 1.516 -11.231 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -8.704 -0.420 -8.271 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -5.019 -0.824 -10.443 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.761 -1.796 -8.968 1.00 0.00 H new ATOM 327 N GLY A 203 -8.566 5.119 -12.647 1.00 0.00 N ATOM 328 CA GLY A 203 -8.781 6.386 -13.389 1.00 0.00 C ATOM 329 C GLY A 203 -10.232 6.807 -13.167 1.00 0.00 C ATOM 330 O GLY A 203 -10.590 7.961 -13.292 1.00 0.00 O ATOM 0 H GLY A 203 -8.198 4.344 -13.198 1.00 0.00 H new ATOM 0 HA2 GLY A 203 -8.099 7.159 -13.034 1.00 0.00 H new ATOM 0 HA3 GLY A 203 -8.580 6.247 -14.451 1.00 0.00 H new ATOM 334 N GLY A 204 -11.067 5.861 -12.819 1.00 0.00 N ATOM 335 CA GLY A 204 -12.499 6.173 -12.564 1.00 0.00 C ATOM 336 C GLY A 204 -12.625 6.916 -11.234 1.00 0.00 C ATOM 337 O GLY A 204 -13.300 7.921 -11.141 1.00 0.00 O ATOM 0 H GLY A 204 -10.813 4.880 -12.701 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -12.900 6.783 -13.374 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -13.084 5.254 -12.537 1.00 0.00 H new ATOM 341 N PHE A 205 -11.972 6.445 -10.201 1.00 0.00 N ATOM 342 CA PHE A 205 -12.065 7.162 -8.893 1.00 0.00 C ATOM 343 C PHE A 205 -11.705 8.627 -9.114 1.00 0.00 C ATOM 344 O PHE A 205 -12.261 9.524 -8.513 1.00 0.00 O ATOM 345 CB PHE A 205 -11.032 6.495 -7.984 1.00 0.00 C ATOM 346 CG PHE A 205 -11.508 5.116 -7.605 1.00 0.00 C ATOM 347 CD1 PHE A 205 -11.264 4.037 -8.459 1.00 0.00 C ATOM 348 CD2 PHE A 205 -12.194 4.918 -6.402 1.00 0.00 C ATOM 349 CE1 PHE A 205 -11.704 2.755 -8.112 1.00 0.00 C ATOM 350 CE2 PHE A 205 -12.635 3.638 -6.051 1.00 0.00 C ATOM 351 CZ PHE A 205 -12.391 2.555 -6.907 1.00 0.00 C ATOM 0 H PHE A 205 -11.388 5.609 -10.205 1.00 0.00 H new ATOM 0 HA PHE A 205 -13.063 7.116 -8.457 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -10.071 6.432 -8.494 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.878 7.097 -7.088 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.735 4.193 -9.388 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -12.383 5.754 -5.744 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.515 1.921 -8.772 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -13.163 3.484 -5.121 1.00 0.00 H new ATOM 0 HZ PHE A 205 -12.732 1.566 -6.638 1.00 0.00 H new ATOM 361 N GLY A 206 -10.774 8.856 -9.990 1.00 0.00 N ATOM 362 CA GLY A 206 -10.338 10.241 -10.301 1.00 0.00 C ATOM 363 C GLY A 206 -9.351 10.166 -11.457 1.00 0.00 C ATOM 364 O GLY A 206 -8.480 9.318 -11.470 1.00 0.00 O ATOM 0 H GLY A 206 -10.287 8.129 -10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -11.194 10.861 -10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -9.872 10.700 -9.429 1.00 0.00 H new ATOM 368 N GLU A 207 -9.481 11.020 -12.437 1.00 0.00 N ATOM 369 CA GLU A 207 -8.542 10.958 -13.591 1.00 0.00 C ATOM 370 C GLU A 207 -7.127 10.681 -13.099 1.00 0.00 C ATOM 371 O GLU A 207 -6.706 11.166 -12.068 1.00 0.00 O ATOM 372 CB GLU A 207 -8.614 12.324 -14.265 1.00 0.00 C ATOM 373 CG GLU A 207 -8.278 13.419 -13.249 1.00 0.00 C ATOM 374 CD GLU A 207 -8.607 14.788 -13.847 1.00 0.00 C ATOM 375 OE1 GLU A 207 -9.761 15.007 -14.177 1.00 0.00 O ATOM 376 OE2 GLU A 207 -7.699 15.595 -13.965 1.00 0.00 O ATOM 0 H GLU A 207 -10.190 11.751 -12.488 1.00 0.00 H new ATOM 0 HA GLU A 207 -8.807 10.160 -14.284 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -7.917 12.365 -15.102 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -9.612 12.487 -14.673 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -8.846 13.265 -12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -7.222 13.371 -12.982 1.00 0.00 H new ATOM 383 N VAL A 208 -6.399 9.887 -13.822 1.00 0.00 N ATOM 384 CA VAL A 208 -5.022 9.552 -13.401 1.00 0.00 C ATOM 385 C VAL A 208 -4.016 10.472 -14.083 1.00 0.00 C ATOM 386 O VAL A 208 -4.162 10.825 -15.236 1.00 0.00 O ATOM 387 CB VAL A 208 -4.826 8.106 -13.870 1.00 0.00 C ATOM 388 CG1 VAL A 208 -3.329 7.792 -14.005 1.00 0.00 C ATOM 389 CG2 VAL A 208 -5.459 7.157 -12.852 1.00 0.00 C ATOM 0 H VAL A 208 -6.703 9.453 -14.694 1.00 0.00 H new ATOM 0 HA VAL A 208 -4.874 9.669 -12.328 1.00 0.00 H new ATOM 0 HB VAL A 208 -5.302 7.976 -14.842 1.00 0.00 H new ATOM 0 HG11 VAL A 208 -3.202 6.762 -14.339 1.00 0.00 H new ATOM 0 HG12 VAL A 208 -2.880 8.467 -14.733 1.00 0.00 H new ATOM 0 HG13 VAL A 208 -2.841 7.923 -13.039 1.00 0.00 H new ATOM 0 HG21 VAL A 208 -5.322 6.127 -13.181 1.00 0.00 H new ATOM 0 HG22 VAL A 208 -4.982 7.294 -11.881 1.00 0.00 H new ATOM 0 HG23 VAL A 208 -6.524 7.372 -12.767 1.00 0.00 H new ATOM 399 N GLU A 209 -2.969 10.815 -13.397 1.00 0.00 N ATOM 400 CA GLU A 209 -1.928 11.658 -14.030 1.00 0.00 C ATOM 401 C GLU A 209 -0.972 10.698 -14.718 1.00 0.00 C ATOM 402 O GLU A 209 -0.694 10.806 -15.896 1.00 0.00 O ATOM 403 CB GLU A 209 -1.241 12.398 -12.880 1.00 0.00 C ATOM 404 CG GLU A 209 -0.251 13.417 -13.447 1.00 0.00 C ATOM 405 CD GLU A 209 -1.014 14.497 -14.216 1.00 0.00 C ATOM 406 OE1 GLU A 209 -2.232 14.504 -14.139 1.00 0.00 O ATOM 407 OE2 GLU A 209 -0.367 15.298 -14.870 1.00 0.00 O ATOM 0 H GLU A 209 -2.789 10.549 -12.429 1.00 0.00 H new ATOM 0 HA GLU A 209 -2.304 12.377 -14.758 1.00 0.00 H new ATOM 0 HB2 GLU A 209 -1.984 12.902 -12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 209 -0.720 11.689 -12.237 1.00 0.00 H new ATOM 0 HG2 GLU A 209 0.325 13.869 -12.639 1.00 0.00 H new ATOM 0 HG3 GLU A 209 0.461 12.920 -14.106 1.00 0.00 H new ATOM 414 N SER A 210 -0.517 9.715 -13.994 1.00 0.00 N ATOM 415 CA SER A 210 0.358 8.693 -14.593 1.00 0.00 C ATOM 416 C SER A 210 0.172 7.415 -13.795 1.00 0.00 C ATOM 417 O SER A 210 -0.469 7.420 -12.765 1.00 0.00 O ATOM 418 CB SER A 210 1.781 9.234 -14.467 1.00 0.00 C ATOM 419 OG SER A 210 1.943 10.337 -15.351 1.00 0.00 O ATOM 0 H SER A 210 -0.721 9.582 -13.003 1.00 0.00 H new ATOM 0 HA SER A 210 0.137 8.480 -15.639 1.00 0.00 H new ATOM 0 HB2 SER A 210 1.975 9.544 -13.440 1.00 0.00 H new ATOM 0 HB3 SER A 210 2.502 8.452 -14.706 1.00 0.00 H new ATOM 0 HG SER A 210 1.082 10.552 -15.767 1.00 0.00 H new ATOM 425 N ILE A 211 0.715 6.325 -14.228 1.00 0.00 N ATOM 426 CA ILE A 211 0.531 5.094 -13.429 1.00 0.00 C ATOM 427 C ILE A 211 1.873 4.472 -13.087 1.00 0.00 C ATOM 428 O ILE A 211 2.922 5.054 -13.279 1.00 0.00 O ATOM 429 CB ILE A 211 -0.283 4.143 -14.287 1.00 0.00 C ATOM 430 CG1 ILE A 211 0.456 3.878 -15.599 1.00 0.00 C ATOM 431 CG2 ILE A 211 -1.651 4.757 -14.578 1.00 0.00 C ATOM 432 CD1 ILE A 211 -0.125 2.633 -16.264 1.00 0.00 C ATOM 0 H ILE A 211 1.267 6.230 -15.081 1.00 0.00 H new ATOM 0 HA ILE A 211 0.026 5.312 -12.488 1.00 0.00 H new ATOM 0 HB ILE A 211 -0.420 3.201 -13.755 1.00 0.00 H new ATOM 0 HG12 ILE A 211 0.360 4.737 -16.263 1.00 0.00 H new ATOM 0 HG13 ILE A 211 1.520 3.739 -15.408 1.00 0.00 H new ATOM 0 HG21 ILE A 211 -2.234 4.072 -15.194 1.00 0.00 H new ATOM 0 HG22 ILE A 211 -2.176 4.937 -13.640 1.00 0.00 H new ATOM 0 HG23 ILE A 211 -1.521 5.701 -15.108 1.00 0.00 H new ATOM 0 HD11 ILE A 211 0.400 2.442 -17.200 1.00 0.00 H new ATOM 0 HD12 ILE A 211 -0.006 1.777 -15.600 1.00 0.00 H new ATOM 0 HD13 ILE A 211 -1.184 2.790 -16.468 1.00 0.00 H new ATOM 444 N GLU A 212 1.831 3.293 -12.562 1.00 0.00 N ATOM 445 CA GLU A 212 3.075 2.594 -12.167 1.00 0.00 C ATOM 446 C GLU A 212 2.830 1.085 -12.267 1.00 0.00 C ATOM 447 O GLU A 212 1.780 0.598 -11.912 1.00 0.00 O ATOM 448 CB GLU A 212 3.273 3.063 -10.725 1.00 0.00 C ATOM 449 CG GLU A 212 4.650 2.656 -10.177 1.00 0.00 C ATOM 450 CD GLU A 212 4.962 1.201 -10.531 1.00 0.00 C ATOM 451 OE1 GLU A 212 4.421 0.324 -9.878 1.00 0.00 O ATOM 452 OE2 GLU A 212 5.736 0.989 -11.449 1.00 0.00 O ATOM 0 H GLU A 212 0.972 2.771 -12.385 1.00 0.00 H new ATOM 0 HA GLU A 212 3.951 2.801 -12.782 1.00 0.00 H new ATOM 0 HB2 GLU A 212 3.169 4.147 -10.678 1.00 0.00 H new ATOM 0 HB3 GLU A 212 2.491 2.640 -10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 212 5.419 3.309 -10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 212 4.669 2.785 -9.095 1.00 0.00 H new ATOM 459 N LEU A 213 3.764 0.334 -12.766 1.00 0.00 N ATOM 460 CA LEU A 213 3.513 -1.128 -12.888 1.00 0.00 C ATOM 461 C LEU A 213 4.365 -1.922 -11.920 1.00 0.00 C ATOM 462 O LEU A 213 5.262 -1.390 -11.297 1.00 0.00 O ATOM 463 CB LEU A 213 3.900 -1.488 -14.314 1.00 0.00 C ATOM 464 CG LEU A 213 2.815 -1.023 -15.294 1.00 0.00 C ATOM 465 CD1 LEU A 213 1.421 -1.277 -14.709 1.00 0.00 C ATOM 466 CD2 LEU A 213 2.985 0.473 -15.560 1.00 0.00 C ATOM 0 H LEU A 213 4.675 0.658 -13.090 1.00 0.00 H new ATOM 0 HA LEU A 213 2.473 -1.361 -12.660 1.00 0.00 H new ATOM 0 HB2 LEU A 213 4.852 -1.023 -14.568 1.00 0.00 H new ATOM 0 HB3 LEU A 213 4.039 -2.566 -14.399 1.00 0.00 H new ATOM 0 HG LEU A 213 2.915 -1.583 -16.224 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.663 -0.942 -15.417 1.00 0.00 H new ATOM 0 HD12 LEU A 213 1.294 -2.343 -14.520 1.00 0.00 H new ATOM 0 HD13 LEU A 213 1.313 -0.727 -13.774 1.00 0.00 H new ATOM 0 HD21 LEU A 213 2.216 0.808 -16.256 1.00 0.00 H new ATOM 0 HD22 LEU A 213 2.891 1.022 -14.623 1.00 0.00 H new ATOM 0 HD23 LEU A 213 3.969 0.656 -15.991 1.00 0.00 H new ATOM 478 N PRO A 214 4.059 -3.192 -11.825 1.00 0.00 N ATOM 479 CA PRO A 214 4.810 -4.068 -10.927 1.00 0.00 C ATOM 480 C PRO A 214 6.320 -3.916 -11.136 1.00 0.00 C ATOM 481 O PRO A 214 6.923 -4.627 -11.915 1.00 0.00 O ATOM 482 CB PRO A 214 4.325 -5.466 -11.329 1.00 0.00 C ATOM 483 CG PRO A 214 3.283 -5.313 -12.453 1.00 0.00 C ATOM 484 CD PRO A 214 2.950 -3.823 -12.590 1.00 0.00 C ATOM 0 HA PRO A 214 4.648 -3.846 -9.872 1.00 0.00 H new ATOM 0 HB2 PRO A 214 5.163 -6.075 -11.668 1.00 0.00 H new ATOM 0 HB3 PRO A 214 3.886 -5.977 -10.472 1.00 0.00 H new ATOM 0 HG2 PRO A 214 3.675 -5.704 -13.392 1.00 0.00 H new ATOM 0 HG3 PRO A 214 2.385 -5.885 -12.220 1.00 0.00 H new ATOM 0 HD2 PRO A 214 2.937 -3.501 -13.631 1.00 0.00 H new ATOM 0 HD3 PRO A 214 1.974 -3.582 -12.169 1.00 0.00 H new ATOM 662 N PHE A 225 2.506 -6.933 -8.483 1.00 0.00 N ATOM 663 CA PHE A 225 1.541 -5.853 -8.123 1.00 0.00 C ATOM 664 C PHE A 225 1.561 -4.756 -9.179 1.00 0.00 C ATOM 665 O PHE A 225 2.065 -4.932 -10.263 1.00 0.00 O ATOM 666 CB PHE A 225 2.042 -5.290 -6.789 1.00 0.00 C ATOM 667 CG PHE A 225 3.554 -5.245 -6.776 1.00 0.00 C ATOM 668 CD1 PHE A 225 4.289 -6.409 -6.519 1.00 0.00 C ATOM 669 CD2 PHE A 225 4.218 -4.037 -7.018 1.00 0.00 C ATOM 670 CE1 PHE A 225 5.688 -6.364 -6.504 1.00 0.00 C ATOM 671 CE2 PHE A 225 5.617 -3.992 -7.004 1.00 0.00 C ATOM 672 CZ PHE A 225 6.352 -5.155 -6.746 1.00 0.00 C ATOM 0 HA PHE A 225 0.520 -6.230 -8.057 1.00 0.00 H new ATOM 0 HB2 PHE A 225 1.640 -4.289 -6.634 1.00 0.00 H new ATOM 0 HB3 PHE A 225 1.682 -5.909 -5.967 1.00 0.00 H new ATOM 0 HD1 PHE A 225 3.777 -7.341 -6.332 1.00 0.00 H new ATOM 0 HD2 PHE A 225 3.651 -3.139 -7.216 1.00 0.00 H new ATOM 0 HE1 PHE A 225 6.255 -7.261 -6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 225 6.129 -3.060 -7.192 1.00 0.00 H new ATOM 0 HZ PHE A 225 7.431 -5.120 -6.734 1.00 0.00 H new ATOM 682 N CYS A 226 1.033 -3.615 -8.859 1.00 0.00 N ATOM 683 CA CYS A 226 1.048 -2.495 -9.839 1.00 0.00 C ATOM 684 C CYS A 226 0.633 -1.205 -9.123 1.00 0.00 C ATOM 685 O CYS A 226 -0.381 -1.157 -8.456 1.00 0.00 O ATOM 686 CB CYS A 226 0.039 -2.895 -10.936 1.00 0.00 C ATOM 687 SG CYS A 226 -1.624 -2.241 -10.600 1.00 0.00 S ATOM 0 H CYS A 226 0.591 -3.406 -7.964 1.00 0.00 H new ATOM 0 HA CYS A 226 2.031 -2.316 -10.275 1.00 0.00 H new ATOM 0 HB2 CYS A 226 0.386 -2.525 -11.901 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -0.006 -3.982 -11.009 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.635 -1.660 -9.437 1.00 0.00 H new ATOM 693 N PHE A 227 1.394 -0.163 -9.246 1.00 0.00 N ATOM 694 CA PHE A 227 1.003 1.100 -8.565 1.00 0.00 C ATOM 695 C PHE A 227 0.370 2.042 -9.588 1.00 0.00 C ATOM 696 O PHE A 227 0.217 1.710 -10.741 1.00 0.00 O ATOM 697 CB PHE A 227 2.304 1.713 -8.028 1.00 0.00 C ATOM 698 CG PHE A 227 2.812 0.989 -6.803 1.00 0.00 C ATOM 699 CD1 PHE A 227 2.824 -0.417 -6.732 1.00 0.00 C ATOM 700 CD2 PHE A 227 3.304 1.747 -5.734 1.00 0.00 C ATOM 701 CE1 PHE A 227 3.328 -1.053 -5.589 1.00 0.00 C ATOM 702 CE2 PHE A 227 3.811 1.109 -4.594 1.00 0.00 C ATOM 703 CZ PHE A 227 3.823 -0.291 -4.521 1.00 0.00 C ATOM 0 H PHE A 227 2.261 -0.126 -9.782 1.00 0.00 H new ATOM 0 HA PHE A 227 0.285 0.928 -7.763 1.00 0.00 H new ATOM 0 HB2 PHE A 227 3.066 1.684 -8.807 1.00 0.00 H new ATOM 0 HB3 PHE A 227 2.136 2.762 -7.785 1.00 0.00 H new ATOM 0 HD1 PHE A 227 2.446 -1.004 -7.556 1.00 0.00 H new ATOM 0 HD2 PHE A 227 3.293 2.826 -5.788 1.00 0.00 H new ATOM 0 HE1 PHE A 227 3.335 -2.131 -5.531 1.00 0.00 H new ATOM 0 HE2 PHE A 227 4.193 1.696 -3.772 1.00 0.00 H new ATOM 0 HZ PHE A 227 4.213 -0.783 -3.642 1.00 0.00 H new ATOM 713 N ILE A 228 0.030 3.221 -9.179 1.00 0.00 N ATOM 714 CA ILE A 228 -0.559 4.210 -10.125 1.00 0.00 C ATOM 715 C ILE A 228 -0.510 5.577 -9.447 1.00 0.00 C ATOM 716 O ILE A 228 -0.815 5.690 -8.276 1.00 0.00 O ATOM 717 CB ILE A 228 -2.007 3.759 -10.356 1.00 0.00 C ATOM 718 CG1 ILE A 228 -2.021 2.671 -11.444 1.00 0.00 C ATOM 719 CG2 ILE A 228 -2.854 4.965 -10.792 1.00 0.00 C ATOM 720 CD1 ILE A 228 -3.319 2.724 -12.254 1.00 0.00 C ATOM 0 H ILE A 228 0.133 3.552 -8.220 1.00 0.00 H new ATOM 0 HA ILE A 228 -0.030 4.274 -11.076 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.427 3.352 -9.436 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -1.167 2.805 -12.109 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -1.915 1.689 -10.983 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.883 4.646 -10.957 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -2.830 5.727 -10.013 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.450 5.378 -11.716 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -3.304 1.945 -13.016 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -4.169 2.566 -11.590 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -3.409 3.699 -12.733 1.00 0.00 H new ATOM 732 N THR A 229 -0.125 6.619 -10.130 1.00 0.00 N ATOM 733 CA THR A 229 -0.072 7.928 -9.437 1.00 0.00 C ATOM 734 C THR A 229 -1.207 8.806 -9.914 1.00 0.00 C ATOM 735 O THR A 229 -1.544 8.844 -11.080 1.00 0.00 O ATOM 736 CB THR A 229 1.290 8.531 -9.783 1.00 0.00 C ATOM 737 OG1 THR A 229 1.589 9.571 -8.862 1.00 0.00 O ATOM 738 CG2 THR A 229 1.265 9.100 -11.201 1.00 0.00 C ATOM 0 H THR A 229 0.148 6.620 -11.113 1.00 0.00 H new ATOM 0 HA THR A 229 -0.184 7.830 -8.357 1.00 0.00 H new ATOM 0 HB THR A 229 2.052 7.754 -9.724 1.00 0.00 H new ATOM 0 HG1 THR A 229 2.462 9.959 -9.079 1.00 0.00 H new ATOM 0 HG21 THR A 229 2.239 9.527 -11.439 1.00 0.00 H new ATOM 0 HG22 THR A 229 1.036 8.303 -11.909 1.00 0.00 H new ATOM 0 HG23 THR A 229 0.502 9.876 -11.268 1.00 0.00 H new ATOM 746 N PHE A 230 -1.800 9.506 -9.011 1.00 0.00 N ATOM 747 CA PHE A 230 -2.937 10.393 -9.408 1.00 0.00 C ATOM 748 C PHE A 230 -2.456 11.839 -9.613 1.00 0.00 C ATOM 749 O PHE A 230 -1.487 12.077 -10.306 1.00 0.00 O ATOM 750 CB PHE A 230 -3.963 10.284 -8.277 1.00 0.00 C ATOM 751 CG PHE A 230 -4.615 8.920 -8.323 1.00 0.00 C ATOM 752 CD1 PHE A 230 -4.968 8.349 -9.555 1.00 0.00 C ATOM 753 CD2 PHE A 230 -4.869 8.226 -7.135 1.00 0.00 C ATOM 754 CE1 PHE A 230 -5.572 7.087 -9.594 1.00 0.00 C ATOM 755 CE2 PHE A 230 -5.474 6.964 -7.176 1.00 0.00 C ATOM 756 CZ PHE A 230 -5.825 6.394 -8.405 1.00 0.00 C ATOM 0 H PHE A 230 -1.560 9.513 -8.020 1.00 0.00 H new ATOM 0 HA PHE A 230 -3.377 10.092 -10.359 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -3.476 10.435 -7.313 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -4.718 11.064 -8.379 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -4.774 8.883 -10.473 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -4.598 8.664 -6.186 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -5.843 6.648 -10.543 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -5.670 6.430 -6.258 1.00 0.00 H new ATOM 0 HZ PHE A 230 -6.291 5.420 -8.436 1.00 0.00 H new ATOM 766 N LYS A 231 -3.129 12.809 -9.047 1.00 0.00 N ATOM 767 CA LYS A 231 -2.702 14.223 -9.254 1.00 0.00 C ATOM 768 C LYS A 231 -2.738 15.004 -7.936 1.00 0.00 C ATOM 769 O LYS A 231 -1.770 15.625 -7.548 1.00 0.00 O ATOM 770 CB LYS A 231 -3.727 14.786 -10.234 1.00 0.00 C ATOM 771 CG LYS A 231 -3.048 15.083 -11.572 1.00 0.00 C ATOM 772 CD LYS A 231 -3.424 16.492 -12.030 1.00 0.00 C ATOM 773 CE LYS A 231 -4.942 16.666 -11.952 1.00 0.00 C ATOM 774 NZ LYS A 231 -5.371 16.942 -13.350 1.00 0.00 N ATOM 0 H LYS A 231 -3.950 12.683 -8.455 1.00 0.00 H new ATOM 0 HA LYS A 231 -1.680 14.295 -9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -4.539 14.073 -10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -4.170 15.696 -9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -1.966 14.998 -11.470 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.356 14.351 -12.319 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -2.930 17.234 -11.403 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.080 16.658 -13.051 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -5.422 15.769 -11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -5.211 17.487 -11.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -6.379 16.708 -13.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -5.225 17.949 -13.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -4.810 16.362 -14.006 1.00 0.00 H new ATOM 788 N GLU A 232 -3.845 14.977 -7.246 1.00 0.00 N ATOM 789 CA GLU A 232 -3.932 15.720 -5.956 1.00 0.00 C ATOM 790 C GLU A 232 -3.654 14.782 -4.778 1.00 0.00 C ATOM 791 O GLU A 232 -2.636 14.883 -4.123 1.00 0.00 O ATOM 792 CB GLU A 232 -5.368 16.242 -5.894 1.00 0.00 C ATOM 793 CG GLU A 232 -5.751 16.849 -7.244 1.00 0.00 C ATOM 794 CD GLU A 232 -6.576 18.118 -7.019 1.00 0.00 C ATOM 795 OE1 GLU A 232 -7.541 18.050 -6.274 1.00 0.00 O ATOM 796 OE2 GLU A 232 -6.229 19.137 -7.595 1.00 0.00 O ATOM 0 H GLU A 232 -4.690 14.475 -7.518 1.00 0.00 H new ATOM 0 HA GLU A 232 -3.200 16.526 -5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 232 -6.050 15.430 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 232 -5.460 16.991 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 232 -4.854 17.083 -7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 232 -6.324 16.129 -7.829 1.00 0.00 H new ATOM 803 N GLU A 233 -4.557 13.873 -4.509 1.00 0.00 N ATOM 804 CA GLU A 233 -4.375 12.913 -3.371 1.00 0.00 C ATOM 805 C GLU A 233 -5.738 12.293 -3.016 1.00 0.00 C ATOM 806 O GLU A 233 -5.837 11.195 -2.492 1.00 0.00 O ATOM 807 CB GLU A 233 -3.870 13.755 -2.190 1.00 0.00 C ATOM 808 CG GLU A 233 -4.606 15.096 -2.154 1.00 0.00 C ATOM 809 CD GLU A 233 -4.893 15.479 -0.701 1.00 0.00 C ATOM 810 OE1 GLU A 233 -5.203 14.590 0.075 1.00 0.00 O ATOM 811 OE2 GLU A 233 -4.798 16.655 -0.389 1.00 0.00 O ATOM 0 H GLU A 233 -5.423 13.752 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.681 12.109 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.029 13.218 -1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -2.797 13.922 -2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -4.003 15.867 -2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -5.538 15.027 -2.714 1.00 0.00 H new ATOM 818 N GLU A 234 -6.789 13.018 -3.296 1.00 0.00 N ATOM 819 CA GLU A 234 -8.171 12.542 -2.989 1.00 0.00 C ATOM 820 C GLU A 234 -8.504 11.186 -3.645 1.00 0.00 C ATOM 821 O GLU A 234 -9.107 10.342 -3.006 1.00 0.00 O ATOM 822 CB GLU A 234 -9.085 13.633 -3.548 1.00 0.00 C ATOM 823 CG GLU A 234 -9.697 14.429 -2.393 1.00 0.00 C ATOM 824 CD GLU A 234 -10.985 13.747 -1.929 1.00 0.00 C ATOM 825 OE1 GLU A 234 -11.177 12.591 -2.271 1.00 0.00 O ATOM 826 OE2 GLU A 234 -11.758 14.391 -1.238 1.00 0.00 O ATOM 0 H GLU A 234 -6.747 13.939 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 234 -8.291 12.377 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -8.519 14.297 -4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -9.874 13.186 -4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -8.989 14.494 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -9.908 15.450 -2.712 1.00 0.00 H new ATOM 833 N PRO A 235 -8.142 11.003 -4.898 1.00 0.00 N ATOM 834 CA PRO A 235 -8.472 9.731 -5.578 1.00 0.00 C ATOM 835 C PRO A 235 -7.985 8.534 -4.758 1.00 0.00 C ATOM 836 O PRO A 235 -8.638 7.509 -4.707 1.00 0.00 O ATOM 837 CB PRO A 235 -7.754 9.862 -6.922 1.00 0.00 C ATOM 838 CG PRO A 235 -7.056 11.234 -6.972 1.00 0.00 C ATOM 839 CD PRO A 235 -7.392 12.009 -5.690 1.00 0.00 C ATOM 0 HA PRO A 235 -9.541 9.558 -5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 235 -7.024 9.061 -7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 235 -8.466 9.769 -7.742 1.00 0.00 H new ATOM 0 HG2 PRO A 235 -5.977 11.105 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 235 -7.385 11.793 -7.848 1.00 0.00 H new ATOM 0 HD2 PRO A 235 -6.494 12.347 -5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 235 -7.993 12.894 -5.896 1.00 0.00 H new ATOM 847 N VAL A 236 -6.875 8.652 -4.084 1.00 0.00 N ATOM 848 CA VAL A 236 -6.419 7.507 -3.248 1.00 0.00 C ATOM 849 C VAL A 236 -7.270 7.459 -1.995 1.00 0.00 C ATOM 850 O VAL A 236 -7.591 6.409 -1.491 1.00 0.00 O ATOM 851 CB VAL A 236 -4.974 7.781 -2.869 1.00 0.00 C ATOM 852 CG1 VAL A 236 -4.540 6.767 -1.811 1.00 0.00 C ATOM 853 CG2 VAL A 236 -4.101 7.624 -4.099 1.00 0.00 C ATOM 0 H VAL A 236 -6.273 9.476 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 236 -6.505 6.559 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 236 -4.876 8.793 -2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -3.503 6.954 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -5.176 6.864 -0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -4.630 5.759 -2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -3.062 7.819 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -4.193 6.608 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -4.420 8.332 -4.864 1.00 0.00 H new ATOM 863 N LYS A 237 -7.656 8.596 -1.495 1.00 0.00 N ATOM 864 CA LYS A 237 -8.515 8.598 -0.281 1.00 0.00 C ATOM 865 C LYS A 237 -9.611 7.570 -0.471 1.00 0.00 C ATOM 866 O LYS A 237 -9.935 6.795 0.409 1.00 0.00 O ATOM 867 CB LYS A 237 -9.151 9.979 -0.232 1.00 0.00 C ATOM 868 CG LYS A 237 -8.987 10.578 1.165 1.00 0.00 C ATOM 869 CD LYS A 237 -7.527 10.980 1.380 1.00 0.00 C ATOM 870 CE LYS A 237 -6.963 10.220 2.583 1.00 0.00 C ATOM 871 NZ LYS A 237 -5.762 10.994 2.999 1.00 0.00 N ATOM 0 H LYS A 237 -7.418 9.515 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 237 -7.953 8.371 0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 237 -8.686 10.629 -0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 237 -10.209 9.911 -0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 237 -9.635 11.447 1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 237 -9.291 9.854 1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 237 -6.942 10.757 0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 237 -7.455 12.055 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 237 -7.693 10.161 3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 237 -6.700 9.197 2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 -5.320 10.534 3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 -5.082 11.028 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 -6.044 11.962 3.255 1.00 0.00 H new ATOM 885 N LYS A 238 -10.182 7.571 -1.638 1.00 0.00 N ATOM 886 CA LYS A 238 -11.272 6.615 -1.925 1.00 0.00 C ATOM 887 C LYS A 238 -10.716 5.210 -2.093 1.00 0.00 C ATOM 888 O LYS A 238 -11.035 4.302 -1.352 1.00 0.00 O ATOM 889 CB LYS A 238 -11.882 7.072 -3.246 1.00 0.00 C ATOM 890 CG LYS A 238 -13.395 7.214 -3.091 1.00 0.00 C ATOM 891 CD LYS A 238 -13.789 8.681 -3.262 1.00 0.00 C ATOM 892 CE LYS A 238 -14.383 8.891 -4.656 1.00 0.00 C ATOM 893 NZ LYS A 238 -15.659 9.623 -4.421 1.00 0.00 N ATOM 0 H LYS A 238 -9.938 8.196 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 238 -12.000 6.592 -1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -11.447 8.024 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -11.653 6.352 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -13.907 6.600 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -13.706 6.855 -2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -14.514 8.965 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -12.917 9.321 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -13.709 9.466 -5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -14.560 7.940 -5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -16.128 9.805 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -16.283 9.048 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -15.458 10.527 -3.948 1.00 0.00 H new ATOM 907 N ILE A 239 -9.896 5.029 -3.085 1.00 0.00 N ATOM 908 CA ILE A 239 -9.323 3.684 -3.336 1.00 0.00 C ATOM 909 C ILE A 239 -8.737 3.119 -2.032 1.00 0.00 C ATOM 910 O ILE A 239 -9.164 2.093 -1.541 1.00 0.00 O ATOM 911 CB ILE A 239 -8.246 3.906 -4.416 1.00 0.00 C ATOM 912 CG1 ILE A 239 -8.829 3.534 -5.784 1.00 0.00 C ATOM 913 CG2 ILE A 239 -7.015 3.032 -4.145 1.00 0.00 C ATOM 914 CD1 ILE A 239 -9.286 2.074 -5.762 1.00 0.00 C ATOM 0 H ILE A 239 -9.597 5.757 -3.734 1.00 0.00 H new ATOM 0 HA ILE A 239 -10.061 2.957 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 239 -7.943 4.953 -4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 239 -9.669 4.186 -6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 239 -8.080 3.681 -6.563 1.00 0.00 H new ATOM 0 HG21 ILE A 239 -6.268 3.205 -4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 239 -6.595 3.287 -3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 239 -7.306 1.982 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 239 -9.701 1.808 -6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 239 -8.435 1.430 -5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 239 -10.048 1.943 -4.994 1.00 0.00 H new ATOM 926 N MET A 240 -7.770 3.782 -1.468 1.00 0.00 N ATOM 927 CA MET A 240 -7.166 3.286 -0.196 1.00 0.00 C ATOM 928 C MET A 240 -8.256 2.977 0.842 1.00 0.00 C ATOM 929 O MET A 240 -8.120 2.072 1.641 1.00 0.00 O ATOM 930 CB MET A 240 -6.273 4.427 0.292 1.00 0.00 C ATOM 931 CG MET A 240 -5.650 4.048 1.639 1.00 0.00 C ATOM 932 SD MET A 240 -6.455 4.984 2.962 1.00 0.00 S ATOM 933 CE MET A 240 -6.272 3.742 4.265 1.00 0.00 C ATOM 0 H MET A 240 -7.369 4.647 -1.830 1.00 0.00 H new ATOM 0 HA MET A 240 -6.608 2.362 -0.346 1.00 0.00 H new ATOM 0 HB2 MET A 240 -5.490 4.628 -0.439 1.00 0.00 H new ATOM 0 HB3 MET A 240 -6.857 5.342 0.394 1.00 0.00 H new ATOM 0 HG2 MET A 240 -5.763 2.978 1.816 1.00 0.00 H new ATOM 0 HG3 MET A 240 -4.581 4.259 1.629 1.00 0.00 H new ATOM 0 HE1 MET A 240 -6.709 4.118 5.190 1.00 0.00 H new ATOM 0 HE2 MET A 240 -6.782 2.826 3.969 1.00 0.00 H new ATOM 0 HE3 MET A 240 -5.214 3.533 4.423 1.00 0.00 H new ATOM 943 N GLU A 241 -9.335 3.722 0.847 1.00 0.00 N ATOM 944 CA GLU A 241 -10.417 3.459 1.847 1.00 0.00 C ATOM 945 C GLU A 241 -11.057 2.083 1.615 1.00 0.00 C ATOM 946 O GLU A 241 -11.862 1.624 2.401 1.00 0.00 O ATOM 947 CB GLU A 241 -11.445 4.568 1.624 1.00 0.00 C ATOM 948 CG GLU A 241 -11.484 5.480 2.853 1.00 0.00 C ATOM 949 CD GLU A 241 -12.877 5.429 3.485 1.00 0.00 C ATOM 950 OE1 GLU A 241 -13.270 4.359 3.921 1.00 0.00 O ATOM 951 OE2 GLU A 241 -13.527 6.461 3.523 1.00 0.00 O ATOM 0 H GLU A 241 -9.513 4.496 0.207 1.00 0.00 H new ATOM 0 HA GLU A 241 -10.030 3.454 2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -11.186 5.146 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -12.430 4.136 1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -10.733 5.164 3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -11.240 6.503 2.567 1.00 0.00 H new ATOM 958 N LYS A 242 -10.695 1.418 0.554 1.00 0.00 N ATOM 959 CA LYS A 242 -11.266 0.069 0.279 1.00 0.00 C ATOM 960 C LYS A 242 -10.131 -0.874 -0.109 1.00 0.00 C ATOM 961 O LYS A 242 -10.157 -1.505 -1.143 1.00 0.00 O ATOM 962 CB LYS A 242 -12.240 0.259 -0.886 1.00 0.00 C ATOM 963 CG LYS A 242 -13.643 -0.182 -0.461 1.00 0.00 C ATOM 964 CD LYS A 242 -14.100 0.634 0.749 1.00 0.00 C ATOM 965 CE LYS A 242 -14.081 2.123 0.397 1.00 0.00 C ATOM 966 NZ LYS A 242 -15.040 2.754 1.345 1.00 0.00 N ATOM 0 H LYS A 242 -10.025 1.752 -0.138 1.00 0.00 H new ATOM 0 HA LYS A 242 -11.776 -0.358 1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -12.254 1.304 -1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -11.910 -0.323 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -14.342 -0.047 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -13.641 -1.244 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -15.104 0.332 1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -13.445 0.442 1.599 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -13.081 2.543 0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -14.382 2.288 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -15.082 3.778 1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -15.984 2.340 1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -14.724 2.586 2.322 1.00 0.00 H new ATOM 980 N LYS A 243 -9.129 -0.932 0.726 1.00 0.00 N ATOM 981 CA LYS A 243 -7.928 -1.795 0.474 1.00 0.00 C ATOM 982 C LYS A 243 -8.244 -3.010 -0.412 1.00 0.00 C ATOM 983 O LYS A 243 -7.419 -3.437 -1.192 1.00 0.00 O ATOM 984 CB LYS A 243 -7.499 -2.263 1.865 1.00 0.00 C ATOM 985 CG LYS A 243 -6.370 -1.371 2.382 1.00 0.00 C ATOM 986 CD LYS A 243 -6.418 -1.324 3.911 1.00 0.00 C ATOM 987 CE LYS A 243 -5.401 -2.313 4.486 1.00 0.00 C ATOM 988 NZ LYS A 243 -5.907 -2.634 5.851 1.00 0.00 N ATOM 0 H LYS A 243 -9.088 -0.404 1.598 1.00 0.00 H new ATOM 0 HA LYS A 243 -7.156 -1.240 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -8.347 -2.227 2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -7.167 -3.300 1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -5.406 -1.756 2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -6.470 -0.366 1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -6.198 -0.315 4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -7.420 -1.572 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -5.330 -3.210 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -4.404 -1.875 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -5.262 -3.308 6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -5.958 -1.763 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -6.855 -3.056 5.780 1.00 0.00 H new ATOM 1002 N TYR A 244 -9.408 -3.586 -0.300 1.00 0.00 N ATOM 1003 CA TYR A 244 -9.711 -4.776 -1.148 1.00 0.00 C ATOM 1004 C TYR A 244 -10.852 -4.441 -2.120 1.00 0.00 C ATOM 1005 O TYR A 244 -12.014 -4.611 -1.807 1.00 0.00 O ATOM 1006 CB TYR A 244 -10.134 -5.857 -0.153 1.00 0.00 C ATOM 1007 CG TYR A 244 -9.659 -7.207 -0.635 1.00 0.00 C ATOM 1008 CD1 TYR A 244 -8.350 -7.347 -1.112 1.00 0.00 C ATOM 1009 CD2 TYR A 244 -10.507 -8.318 -0.584 1.00 0.00 C ATOM 1010 CE1 TYR A 244 -7.889 -8.595 -1.543 1.00 0.00 C ATOM 1011 CE2 TYR A 244 -10.046 -9.570 -1.012 1.00 0.00 C ATOM 1012 CZ TYR A 244 -8.736 -9.708 -1.491 1.00 0.00 C ATOM 1013 OH TYR A 244 -8.283 -10.942 -1.913 1.00 0.00 O ATOM 0 H TYR A 244 -10.153 -3.292 0.331 1.00 0.00 H new ATOM 0 HA TYR A 244 -8.865 -5.096 -1.756 1.00 0.00 H new ATOM 0 HB2 TYR A 244 -9.715 -5.643 0.830 1.00 0.00 H new ATOM 0 HB3 TYR A 244 -11.219 -5.860 -0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 244 -7.695 -6.489 -1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 244 -11.516 -8.211 -0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 244 -6.881 -8.700 -1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 244 -10.700 -10.429 -0.973 1.00 0.00 H new ATOM 0 HH TYR A 244 -8.997 -11.606 -1.809 1.00 0.00 H new ATOM 1023 N HIS A 245 -10.531 -3.947 -3.291 1.00 0.00 N ATOM 1024 CA HIS A 245 -11.599 -3.583 -4.274 1.00 0.00 C ATOM 1025 C HIS A 245 -11.949 -4.764 -5.179 1.00 0.00 C ATOM 1026 O HIS A 245 -11.719 -5.911 -4.854 1.00 0.00 O ATOM 1027 CB HIS A 245 -11.006 -2.459 -5.124 1.00 0.00 C ATOM 1028 CG HIS A 245 -10.466 -1.372 -4.240 1.00 0.00 C ATOM 1029 ND1 HIS A 245 -9.300 -1.269 -3.530 1.00 0.00 N flip ATOM 1030 CD2 HIS A 245 -11.152 -0.191 -4.016 1.00 0.00 C flip ATOM 1031 CE1 HIS A 245 -9.256 -0.044 -2.874 1.00 0.00 C flip ATOM 1032 NE2 HIS A 245 -10.396 0.566 -3.201 1.00 0.00 N flip ATOM 0 H HIS A 245 -9.576 -3.780 -3.608 1.00 0.00 H new ATOM 0 HA HIS A 245 -12.514 -3.289 -3.759 1.00 0.00 H new ATOM 0 HB2 HIS A 245 -10.210 -2.852 -5.757 1.00 0.00 H new ATOM 0 HB3 HIS A 245 -11.770 -2.053 -5.787 1.00 0.00 H new ATOM 0 HD2 HIS A 245 -12.117 0.074 -4.421 1.00 0.00 H new ATOM 0 HE1 HIS A 245 -8.469 0.332 -2.237 1.00 0.00 H new ATOM 0 HE2 HIS A 245 -10.662 1.494 -2.873 1.00 0.00 H new ATOM 1040 N ASN A 246 -12.502 -4.471 -6.325 1.00 0.00 N ATOM 1041 CA ASN A 246 -12.878 -5.542 -7.289 1.00 0.00 C ATOM 1042 C ASN A 246 -12.653 -5.038 -8.718 1.00 0.00 C ATOM 1043 O ASN A 246 -13.234 -4.055 -9.136 1.00 0.00 O ATOM 1044 CB ASN A 246 -14.364 -5.803 -7.029 1.00 0.00 C ATOM 1045 CG ASN A 246 -14.985 -6.506 -8.238 1.00 0.00 C ATOM 1046 OD1 ASN A 246 -14.295 -7.151 -9.002 1.00 0.00 O ATOM 1047 ND2 ASN A 246 -16.269 -6.408 -8.443 1.00 0.00 N ATOM 0 H ASN A 246 -12.711 -3.523 -6.637 1.00 0.00 H new ATOM 0 HA ASN A 246 -12.287 -6.450 -7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -14.484 -6.418 -6.137 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -14.880 -4.862 -6.839 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -16.694 -6.873 -9.245 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -16.848 -5.866 -7.801 1.00 0.00 H new ATOM 1054 N VAL A 247 -11.812 -5.694 -9.469 1.00 0.00 N ATOM 1055 CA VAL A 247 -11.552 -5.238 -10.865 1.00 0.00 C ATOM 1056 C VAL A 247 -11.436 -6.445 -11.799 1.00 0.00 C ATOM 1057 O VAL A 247 -10.618 -7.321 -11.598 1.00 0.00 O ATOM 1058 CB VAL A 247 -10.223 -4.482 -10.790 1.00 0.00 C ATOM 1059 CG1 VAL A 247 -10.004 -3.703 -12.088 1.00 0.00 C ATOM 1060 CG2 VAL A 247 -10.257 -3.505 -9.608 1.00 0.00 C ATOM 0 H VAL A 247 -11.295 -6.524 -9.178 1.00 0.00 H new ATOM 0 HA VAL A 247 -12.354 -4.612 -11.256 1.00 0.00 H new ATOM 0 HB VAL A 247 -9.409 -5.193 -10.652 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -9.058 -3.165 -12.034 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -9.980 -4.396 -12.929 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -10.818 -2.992 -12.227 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -9.311 -2.966 -9.554 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -11.072 -2.794 -9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -10.412 -4.059 -8.682 1.00 0.00 H new ATOM 1070 N GLY A 248 -12.251 -6.501 -12.818 1.00 0.00 N ATOM 1071 CA GLY A 248 -12.188 -7.656 -13.758 1.00 0.00 C ATOM 1072 C GLY A 248 -12.399 -8.955 -12.979 1.00 0.00 C ATOM 1073 O GLY A 248 -11.599 -9.867 -13.047 1.00 0.00 O ATOM 0 H GLY A 248 -12.956 -5.798 -13.039 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -12.951 -7.553 -14.530 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -11.223 -7.675 -14.264 1.00 0.00 H new ATOM 1077 N LEU A 249 -13.469 -9.044 -12.237 1.00 0.00 N ATOM 1078 CA LEU A 249 -13.730 -10.282 -11.449 1.00 0.00 C ATOM 1079 C LEU A 249 -12.522 -10.604 -10.567 1.00 0.00 C ATOM 1080 O LEU A 249 -12.319 -11.731 -10.159 1.00 0.00 O ATOM 1081 CB LEU A 249 -13.948 -11.380 -12.490 1.00 0.00 C ATOM 1082 CG LEU A 249 -15.425 -11.777 -12.509 1.00 0.00 C ATOM 1083 CD1 LEU A 249 -16.175 -10.913 -13.525 1.00 0.00 C ATOM 1084 CD2 LEU A 249 -15.551 -13.249 -12.903 1.00 0.00 C ATOM 0 H LEU A 249 -14.174 -8.313 -12.142 1.00 0.00 H new ATOM 0 HA LEU A 249 -14.590 -10.179 -10.787 1.00 0.00 H new ATOM 0 HB2 LEU A 249 -13.642 -11.028 -13.475 1.00 0.00 H new ATOM 0 HB3 LEU A 249 -13.330 -12.247 -12.255 1.00 0.00 H new ATOM 0 HG LEU A 249 -15.853 -11.626 -11.518 1.00 0.00 H new ATOM 0 HD11 LEU A 249 -17.227 -11.197 -13.538 1.00 0.00 H new ATOM 0 HD12 LEU A 249 -16.086 -9.863 -13.246 1.00 0.00 H new ATOM 0 HD13 LEU A 249 -15.747 -11.063 -14.516 1.00 0.00 H new ATOM 0 HD21 LEU A 249 -16.603 -13.533 -12.917 1.00 0.00 H new ATOM 0 HD22 LEU A 249 -15.122 -13.399 -13.894 1.00 0.00 H new ATOM 0 HD23 LEU A 249 -15.018 -13.866 -12.180 1.00 0.00 H new ATOM 1096 N SER A 250 -11.720 -9.620 -10.269 1.00 0.00 N ATOM 1097 CA SER A 250 -10.526 -9.863 -9.411 1.00 0.00 C ATOM 1098 C SER A 250 -10.447 -8.792 -8.323 1.00 0.00 C ATOM 1099 O SER A 250 -10.319 -7.617 -8.606 1.00 0.00 O ATOM 1100 CB SER A 250 -9.330 -9.758 -10.357 1.00 0.00 C ATOM 1101 OG SER A 250 -9.587 -10.526 -11.525 1.00 0.00 O ATOM 0 H SER A 250 -11.840 -8.657 -10.583 1.00 0.00 H new ATOM 0 HA SER A 250 -10.560 -10.830 -8.910 1.00 0.00 H new ATOM 0 HB2 SER A 250 -9.153 -8.716 -10.624 1.00 0.00 H new ATOM 0 HB3 SER A 250 -8.428 -10.118 -9.862 1.00 0.00 H new ATOM 0 HG SER A 250 -10.128 -10.000 -12.150 1.00 0.00 H new ATOM 1107 N LYS A 251 -10.530 -9.182 -7.083 1.00 0.00 N ATOM 1108 CA LYS A 251 -10.467 -8.174 -5.989 1.00 0.00 C ATOM 1109 C LYS A 251 -9.029 -8.015 -5.485 1.00 0.00 C ATOM 1110 O LYS A 251 -8.763 -8.077 -4.302 1.00 0.00 O ATOM 1111 CB LYS A 251 -11.390 -8.715 -4.892 1.00 0.00 C ATOM 1112 CG LYS A 251 -10.676 -9.807 -4.099 1.00 0.00 C ATOM 1113 CD LYS A 251 -11.710 -10.738 -3.462 1.00 0.00 C ATOM 1114 CE LYS A 251 -12.115 -11.817 -4.468 1.00 0.00 C ATOM 1115 NZ LYS A 251 -11.527 -13.079 -3.935 1.00 0.00 N ATOM 0 H LYS A 251 -10.638 -10.150 -6.780 1.00 0.00 H new ATOM 0 HA LYS A 251 -10.781 -7.184 -6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -11.688 -7.906 -4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -12.302 -9.114 -5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -10.016 -10.375 -4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -10.050 -9.360 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -11.296 -11.199 -2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -12.586 -10.168 -3.152 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -13.199 -11.891 -4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -11.732 -11.593 -5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -11.762 -13.867 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -10.494 -12.981 -3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -11.915 -13.270 -2.989 1.00 0.00 H new ATOM 1129 N CYS A 252 -8.106 -7.789 -6.381 1.00 0.00 N ATOM 1130 CA CYS A 252 -6.682 -7.598 -5.967 1.00 0.00 C ATOM 1131 C CYS A 252 -6.630 -6.722 -4.716 1.00 0.00 C ATOM 1132 O CYS A 252 -7.593 -6.066 -4.374 1.00 0.00 O ATOM 1133 CB CYS A 252 -6.024 -6.895 -7.154 1.00 0.00 C ATOM 1134 SG CYS A 252 -6.252 -7.899 -8.645 1.00 0.00 S ATOM 0 H CYS A 252 -8.275 -7.728 -7.385 1.00 0.00 H new ATOM 0 HA CYS A 252 -6.178 -8.534 -5.724 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -6.463 -5.908 -7.296 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -4.962 -6.747 -6.960 1.00 0.00 H new ATOM 0 HG CYS A 252 -5.696 -7.304 -9.658 1.00 0.00 H new ATOM 1140 N GLU A 253 -5.523 -6.688 -4.024 1.00 0.00 N ATOM 1141 CA GLU A 253 -5.472 -5.824 -2.807 1.00 0.00 C ATOM 1142 C GLU A 253 -5.040 -4.427 -3.190 1.00 0.00 C ATOM 1143 O GLU A 253 -4.545 -4.193 -4.272 1.00 0.00 O ATOM 1144 CB GLU A 253 -4.476 -6.431 -1.814 1.00 0.00 C ATOM 1145 CG GLU A 253 -3.380 -7.212 -2.538 1.00 0.00 C ATOM 1146 CD GLU A 253 -2.234 -7.510 -1.566 1.00 0.00 C ATOM 1147 OE1 GLU A 253 -1.594 -6.568 -1.129 1.00 0.00 O ATOM 1148 OE2 GLU A 253 -2.015 -8.675 -1.279 1.00 0.00 O ATOM 0 H GLU A 253 -4.671 -7.206 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 253 -6.459 -5.769 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -4.027 -5.639 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -5.002 -7.092 -1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -3.785 -8.143 -2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -3.010 -6.637 -3.387 1.00 0.00 H new ATOM 1155 N ILE A 254 -5.244 -3.492 -2.315 1.00 0.00 N ATOM 1156 CA ILE A 254 -4.872 -2.089 -2.644 1.00 0.00 C ATOM 1157 C ILE A 254 -4.223 -1.380 -1.451 1.00 0.00 C ATOM 1158 O ILE A 254 -4.836 -1.152 -0.427 1.00 0.00 O ATOM 1159 CB ILE A 254 -6.202 -1.421 -3.038 1.00 0.00 C ATOM 1160 CG1 ILE A 254 -6.444 -1.622 -4.537 1.00 0.00 C ATOM 1161 CG2 ILE A 254 -6.164 0.083 -2.737 1.00 0.00 C ATOM 1162 CD1 ILE A 254 -6.934 -3.049 -4.799 1.00 0.00 C ATOM 0 H ILE A 254 -5.650 -3.633 -1.390 1.00 0.00 H new ATOM 0 HA ILE A 254 -4.131 -2.040 -3.442 1.00 0.00 H new ATOM 0 HB ILE A 254 -7.005 -1.877 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 254 -7.181 -0.904 -4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 254 -5.524 -1.437 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 254 -7.114 0.535 -3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 254 -5.995 0.237 -1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 254 -5.356 0.547 -3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 254 -7.104 -3.185 -5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 254 -6.182 -3.760 -4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 254 -7.865 -3.219 -4.259 1.00 0.00 H new ATOM 1174 N LYS A 255 -2.992 -0.996 -1.614 1.00 0.00 N ATOM 1175 CA LYS A 255 -2.269 -0.254 -0.552 1.00 0.00 C ATOM 1176 C LYS A 255 -1.722 1.017 -1.196 1.00 0.00 C ATOM 1177 O LYS A 255 -0.886 0.956 -2.073 1.00 0.00 O ATOM 1178 CB LYS A 255 -1.135 -1.178 -0.111 1.00 0.00 C ATOM 1179 CG LYS A 255 -0.716 -0.842 1.322 1.00 0.00 C ATOM 1180 CD LYS A 255 -0.607 0.676 1.487 1.00 0.00 C ATOM 1181 CE LYS A 255 -0.135 1.003 2.905 1.00 0.00 C ATOM 1182 NZ LYS A 255 -0.266 2.482 3.020 1.00 0.00 N ATOM 0 H LYS A 255 -2.445 -1.169 -2.458 1.00 0.00 H new ATOM 0 HA LYS A 255 -2.887 0.020 0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -1.457 -2.218 -0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -0.284 -1.069 -0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -1.444 -1.242 2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 255 0.241 -1.312 1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 255 0.093 1.082 0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -1.573 1.143 1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -0.744 0.493 3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 255 0.895 0.684 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 0.133 2.796 3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 0.248 2.938 2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -1.271 2.746 2.974 1.00 0.00 H new ATOM 1196 N VAL A 256 -2.224 2.156 -0.820 1.00 0.00 N ATOM 1197 CA VAL A 256 -1.766 3.418 -1.467 1.00 0.00 C ATOM 1198 C VAL A 256 -0.257 3.417 -1.730 1.00 0.00 C ATOM 1199 O VAL A 256 0.483 2.593 -1.229 1.00 0.00 O ATOM 1200 CB VAL A 256 -2.138 4.536 -0.512 1.00 0.00 C ATOM 1201 CG1 VAL A 256 -1.679 4.189 0.905 1.00 0.00 C ATOM 1202 CG2 VAL A 256 -1.462 5.822 -0.978 1.00 0.00 C ATOM 0 H VAL A 256 -2.931 2.271 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 256 -2.239 3.539 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 256 -3.220 4.669 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 256 -1.950 4.998 1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 256 -2.162 3.267 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 256 -0.597 4.055 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 256 -1.721 6.635 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 256 -0.381 5.684 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 256 -1.801 6.067 -1.985 1.00 0.00 H new ATOM 1212 N ALA A 257 0.196 4.350 -2.524 1.00 0.00 N ATOM 1213 CA ALA A 257 1.642 4.434 -2.853 1.00 0.00 C ATOM 1214 C ALA A 257 2.068 5.896 -3.021 1.00 0.00 C ATOM 1215 O ALA A 257 1.265 6.762 -3.334 1.00 0.00 O ATOM 1216 CB ALA A 257 1.776 3.696 -4.183 1.00 0.00 C ATOM 0 H ALA A 257 -0.385 5.065 -2.962 1.00 0.00 H new ATOM 0 HA ALA A 257 2.269 4.007 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 257 2.818 3.709 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 257 1.447 2.664 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 257 1.159 4.187 -4.936 1.00 0.00 H new