USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 595 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 167 THR OG1 : rot 170:sc= 0 USER MOD Set 1.2: A 187 MET CE :methyl -161:sc= 0 (180deg=-0.255) USER MOD Single : A 163 ASN : amide:sc= -0.292 K(o=-0.29,f=-1.2) USER MOD Single : A 164 LYS NZ :NH3+ -167:sc= -0.0209 (180deg=-0.209) USER MOD Single : A 165 GLN :FLIP amide:sc= -0.544 F(o=-1.2,f=-0.54) USER MOD Single : A 173 CYS SG : rot 180:sc= 0.119 USER MOD Single : A 176 THR OG1 : rot -160:sc= -0.951 USER MOD Single : A 180 SER OG : rot -120:sc= -1.88! USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ -148:sc= -0.768 (180deg=-1.86!) USER MOD Single : A 186 MET CE :methyl 166:sc= -2.1 (180deg=-2.47!) USER MOD Single : A 194 CYS SG : rot 180:sc= 0 USER MOD Single : A 195 CYS SG : rot 105:sc= 1.05 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.034) USER MOD Single : A 205 LYS NZ :NH3+ -154:sc= 0.197 (180deg=0.041) USER MOD Single : A 206 LYS NZ :NH3+ -146:sc= 1.19 (180deg=0.149) USER MOD Single : A 212 THR OG1 : rot 88:sc= 0.161 USER MOD Single : A 215 SER OG : rot 150:sc= -0.314 USER MOD Single : A 218 THR OG1 : rot 89:sc= 0.647 USER MOD Single : A 223 HIS : no HD1:sc= -1.53 X(o=-1.5,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 155 -14.921 -1.679 -0.615 1.00 2.57 N ATOM 66 CA PRO A 155 -13.883 -0.652 -0.680 1.00 2.35 C ATOM 67 C PRO A 155 -12.484 -1.257 -0.753 1.00 2.15 C ATOM 68 O PRO A 155 -12.125 -2.121 0.051 1.00 2.14 O ATOM 69 CB PRO A 155 -14.079 0.117 0.627 1.00 2.38 C ATOM 70 CG PRO A 155 -14.648 -0.881 1.568 1.00 2.54 C ATOM 71 CD PRO A 155 -15.515 -1.780 0.733 1.00 2.69 C ATOM 0 HA PRO A 155 -13.965 -0.029 -1.570 1.00 2.35 H new ATOM 0 HB2 PRO A 155 -13.135 0.517 0.997 1.00 2.38 H new ATOM 0 HB3 PRO A 155 -14.753 0.963 0.492 1.00 2.38 H new ATOM 0 HG2 PRO A 155 -13.859 -1.447 2.062 1.00 2.54 H new ATOM 0 HG3 PRO A 155 -15.229 -0.394 2.351 1.00 2.54 H new ATOM 0 HD2 PRO A 155 -15.501 -2.806 1.102 1.00 2.69 H new ATOM 0 HD3 PRO A 155 -16.555 -1.453 0.739 1.00 2.69 H new ATOM 79 N ILE A 156 -11.699 -0.810 -1.721 1.00 2.02 N ATOM 80 CA ILE A 156 -10.351 -1.327 -1.919 1.00 1.83 C ATOM 81 C ILE A 156 -9.364 -0.194 -2.182 1.00 1.65 C ATOM 82 O ILE A 156 -9.760 0.927 -2.509 1.00 1.71 O ATOM 83 CB ILE A 156 -10.298 -2.346 -3.086 1.00 1.96 C ATOM 84 CG1 ILE A 156 -10.996 -1.818 -4.346 1.00 2.15 C ATOM 85 CG2 ILE A 156 -10.899 -3.676 -2.658 1.00 2.13 C ATOM 86 CD1 ILE A 156 -10.172 -0.840 -5.147 1.00 2.11 C ATOM 0 H ILE A 156 -11.973 -0.086 -2.386 1.00 2.02 H new ATOM 0 HA ILE A 156 -10.067 -1.840 -1.000 1.00 1.83 H new ATOM 0 HB ILE A 156 -9.248 -2.497 -3.339 1.00 1.96 H new ATOM 0 HG12 ILE A 156 -11.258 -2.663 -4.983 1.00 2.15 H new ATOM 0 HG13 ILE A 156 -11.930 -1.336 -4.056 1.00 2.15 H new ATOM 0 HG21 ILE A 156 -10.854 -4.380 -3.489 1.00 2.13 H new ATOM 0 HG22 ILE A 156 -10.336 -4.075 -1.814 1.00 2.13 H new ATOM 0 HG23 ILE A 156 -11.938 -3.528 -2.364 1.00 2.13 H new ATOM 0 HD11 ILE A 156 -10.739 -0.516 -6.020 1.00 2.11 H new ATOM 0 HD12 ILE A 156 -9.932 0.025 -4.529 1.00 2.11 H new ATOM 0 HD13 ILE A 156 -9.249 -1.322 -5.471 1.00 2.11 H new ATOM 98 N VAL A 157 -8.086 -0.486 -2.015 1.00 1.45 N ATOM 99 CA VAL A 157 -7.033 0.440 -2.374 1.00 1.29 C ATOM 100 C VAL A 157 -6.049 -0.262 -3.295 1.00 1.25 C ATOM 101 O VAL A 157 -5.570 -1.356 -2.992 1.00 1.18 O ATOM 102 CB VAL A 157 -6.267 0.978 -1.141 1.00 1.14 C ATOM 103 CG1 VAL A 157 -5.282 2.065 -1.548 1.00 1.44 C ATOM 104 CG2 VAL A 157 -7.221 1.494 -0.073 1.00 1.67 C ATOM 0 H VAL A 157 -7.753 -1.369 -1.628 1.00 1.45 H new ATOM 0 HA VAL A 157 -7.501 1.291 -2.869 1.00 1.29 H new ATOM 0 HB VAL A 157 -5.707 0.146 -0.714 1.00 1.14 H new ATOM 0 HG11 VAL A 157 -4.755 2.428 -0.665 1.00 1.44 H new ATOM 0 HG12 VAL A 157 -4.562 1.657 -2.258 1.00 1.44 H new ATOM 0 HG13 VAL A 157 -5.822 2.890 -2.013 1.00 1.44 H new ATOM 0 HG21 VAL A 157 -6.649 1.864 0.778 1.00 1.67 H new ATOM 0 HG22 VAL A 157 -7.824 2.303 -0.484 1.00 1.67 H new ATOM 0 HG23 VAL A 157 -7.874 0.685 0.253 1.00 1.67 H new ATOM 114 N ARG A 158 -5.776 0.350 -4.430 1.00 1.38 N ATOM 115 CA ARG A 158 -4.849 -0.214 -5.395 1.00 1.47 C ATOM 116 C ARG A 158 -3.435 0.247 -5.096 1.00 1.29 C ATOM 117 O ARG A 158 -3.085 1.407 -5.297 1.00 1.32 O ATOM 118 CB ARG A 158 -5.257 0.178 -6.808 1.00 1.78 C ATOM 119 CG ARG A 158 -6.577 -0.445 -7.233 1.00 2.00 C ATOM 120 CD ARG A 158 -7.001 0.013 -8.613 1.00 2.31 C ATOM 121 NE ARG A 158 -7.363 1.427 -8.638 1.00 2.65 N ATOM 122 CZ ARG A 158 -7.900 2.029 -9.694 1.00 2.95 C ATOM 123 NH1 ARG A 158 -8.111 1.342 -10.811 1.00 3.05 N ATOM 124 NH2 ARG A 158 -8.221 3.319 -9.638 1.00 3.61 N ATOM 0 H ARG A 158 -6.184 1.242 -4.709 1.00 1.38 H new ATOM 0 HA ARG A 158 -4.878 -1.301 -5.319 1.00 1.47 H new ATOM 0 HB2 ARG A 158 -5.336 1.263 -6.871 1.00 1.78 H new ATOM 0 HB3 ARG A 158 -4.476 -0.126 -7.505 1.00 1.78 H new ATOM 0 HG2 ARG A 158 -6.485 -1.531 -7.224 1.00 2.00 H new ATOM 0 HG3 ARG A 158 -7.350 -0.184 -6.511 1.00 2.00 H new ATOM 0 HD2 ARG A 158 -6.189 -0.165 -9.318 1.00 2.31 H new ATOM 0 HD3 ARG A 158 -7.850 -0.584 -8.947 1.00 2.31 H new ATOM 0 HE ARG A 158 -7.195 1.983 -7.800 1.00 2.65 H new ATOM 0 HH11 ARG A 158 -7.861 0.354 -10.857 1.00 3.05 H new ATOM 0 HH12 ARG A 158 -8.523 1.802 -11.623 1.00 3.05 H new ATOM 0 HH21 ARG A 158 -8.055 3.849 -8.783 1.00 3.61 H new ATOM 0 HH22 ARG A 158 -8.633 3.778 -10.451 1.00 3.61 H new ATOM 138 N VAL A 159 -2.641 -0.670 -4.596 1.00 1.17 N ATOM 139 CA VAL A 159 -1.283 -0.386 -4.177 1.00 1.00 C ATOM 140 C VAL A 159 -0.287 -0.696 -5.278 1.00 1.24 C ATOM 141 O VAL A 159 -0.218 -1.816 -5.758 1.00 1.40 O ATOM 142 CB VAL A 159 -0.917 -1.231 -2.950 1.00 0.77 C ATOM 143 CG1 VAL A 159 0.563 -1.114 -2.649 1.00 0.79 C ATOM 144 CG2 VAL A 159 -1.755 -0.825 -1.749 1.00 0.68 C ATOM 0 H VAL A 159 -2.919 -1.643 -4.466 1.00 1.17 H new ATOM 0 HA VAL A 159 -1.236 0.676 -3.937 1.00 1.00 H new ATOM 0 HB VAL A 159 -1.135 -2.276 -3.171 1.00 0.77 H new ATOM 0 HG11 VAL A 159 0.806 -1.720 -1.776 1.00 0.79 H new ATOM 0 HG12 VAL A 159 1.137 -1.466 -3.506 1.00 0.79 H new ATOM 0 HG13 VAL A 159 0.812 -0.072 -2.449 1.00 0.79 H new ATOM 0 HG21 VAL A 159 -1.480 -1.436 -0.890 1.00 0.68 H new ATOM 0 HG22 VAL A 159 -1.576 0.225 -1.519 1.00 0.68 H new ATOM 0 HG23 VAL A 159 -2.811 -0.972 -1.976 1.00 0.68 H new ATOM 154 N PHE A 160 0.495 0.285 -5.671 1.00 1.35 N ATOM 155 CA PHE A 160 1.551 0.046 -6.630 1.00 1.60 C ATOM 156 C PHE A 160 2.814 -0.398 -5.919 1.00 1.50 C ATOM 157 O PHE A 160 3.522 0.414 -5.329 1.00 1.42 O ATOM 158 CB PHE A 160 1.821 1.293 -7.470 1.00 1.81 C ATOM 159 CG PHE A 160 0.788 1.533 -8.531 1.00 2.01 C ATOM 160 CD1 PHE A 160 -0.551 1.554 -8.202 1.00 1.91 C ATOM 161 CD2 PHE A 160 1.157 1.745 -9.850 1.00 2.34 C ATOM 162 CE1 PHE A 160 -1.514 1.780 -9.162 1.00 2.13 C ATOM 163 CE2 PHE A 160 0.199 1.971 -10.821 1.00 2.54 C ATOM 164 CZ PHE A 160 -1.139 1.986 -10.476 1.00 2.44 C ATOM 0 H PHE A 160 0.421 1.249 -5.345 1.00 1.35 H new ATOM 0 HA PHE A 160 1.228 -0.749 -7.302 1.00 1.60 H new ATOM 0 HB2 PHE A 160 1.865 2.162 -6.813 1.00 1.81 H new ATOM 0 HB3 PHE A 160 2.800 1.200 -7.941 1.00 1.81 H new ATOM 0 HD1 PHE A 160 -0.850 1.391 -7.177 1.00 1.91 H new ATOM 0 HD2 PHE A 160 2.202 1.734 -10.122 1.00 2.34 H new ATOM 0 HE1 PHE A 160 -2.559 1.796 -8.888 1.00 2.13 H new ATOM 0 HE2 PHE A 160 0.496 2.135 -11.846 1.00 2.54 H new ATOM 0 HZ PHE A 160 -1.891 2.158 -11.232 1.00 2.44 H new ATOM 174 N LEU A 161 3.085 -1.698 -5.977 1.00 1.56 N ATOM 175 CA LEU A 161 4.263 -2.272 -5.364 1.00 1.52 C ATOM 176 C LEU A 161 5.524 -1.716 -6.012 1.00 1.73 C ATOM 177 O LEU A 161 5.458 -1.069 -7.063 1.00 1.95 O ATOM 178 CB LEU A 161 4.265 -3.798 -5.533 1.00 1.63 C ATOM 179 CG LEU A 161 2.928 -4.521 -5.356 1.00 1.54 C ATOM 180 CD1 LEU A 161 2.170 -4.028 -4.139 1.00 2.07 C ATOM 181 CD2 LEU A 161 2.082 -4.436 -6.608 1.00 1.85 C ATOM 0 H LEU A 161 2.490 -2.377 -6.452 1.00 1.56 H new ATOM 0 HA LEU A 161 4.246 -2.016 -4.305 1.00 1.52 H new ATOM 0 HB2 LEU A 161 4.644 -4.027 -6.529 1.00 1.63 H new ATOM 0 HB3 LEU A 161 4.973 -4.217 -4.818 1.00 1.63 H new ATOM 0 HG LEU A 161 3.156 -5.573 -5.183 1.00 1.54 H new ATOM 0 HD11 LEU A 161 1.228 -4.569 -4.053 1.00 2.07 H new ATOM 0 HD12 LEU A 161 2.769 -4.198 -3.244 1.00 2.07 H new ATOM 0 HD13 LEU A 161 1.968 -2.962 -4.243 1.00 2.07 H new ATOM 0 HD21 LEU A 161 1.140 -4.960 -6.447 1.00 1.85 H new ATOM 0 HD22 LEU A 161 1.880 -3.390 -6.841 1.00 1.85 H new ATOM 0 HD23 LEU A 161 2.616 -4.896 -7.440 1.00 1.85 H new ATOM 193 N PRO A 162 6.687 -1.954 -5.397 1.00 1.72 N ATOM 194 CA PRO A 162 7.973 -1.696 -6.041 1.00 1.96 C ATOM 195 C PRO A 162 8.026 -2.335 -7.432 1.00 2.24 C ATOM 196 O PRO A 162 7.260 -3.255 -7.723 1.00 2.27 O ATOM 197 CB PRO A 162 8.975 -2.358 -5.094 1.00 1.92 C ATOM 198 CG PRO A 162 8.315 -2.328 -3.758 1.00 1.65 C ATOM 199 CD PRO A 162 6.842 -2.451 -4.016 1.00 1.51 C ATOM 0 HA PRO A 162 8.170 -0.635 -6.198 1.00 1.96 H new ATOM 0 HB2 PRO A 162 9.196 -3.380 -5.403 1.00 1.92 H new ATOM 0 HB3 PRO A 162 9.922 -1.818 -5.080 1.00 1.92 H new ATOM 0 HG2 PRO A 162 8.670 -3.145 -3.130 1.00 1.65 H new ATOM 0 HG3 PRO A 162 8.542 -1.400 -3.232 1.00 1.65 H new ATOM 0 HD2 PRO A 162 6.503 -3.483 -3.921 1.00 1.51 H new ATOM 0 HD3 PRO A 162 6.261 -1.859 -3.309 1.00 1.51 H new ATOM 207 N ASN A 163 8.909 -1.832 -8.291 1.00 2.48 N ATOM 208 CA ASN A 163 9.002 -2.282 -9.688 1.00 2.78 C ATOM 209 C ASN A 163 7.779 -1.810 -10.483 1.00 2.84 C ATOM 210 O ASN A 163 7.523 -2.267 -11.598 1.00 3.05 O ATOM 211 CB ASN A 163 9.156 -3.810 -9.777 1.00 2.88 C ATOM 212 CG ASN A 163 9.558 -4.282 -11.163 1.00 3.09 C ATOM 213 OD1 ASN A 163 10.270 -3.584 -11.892 1.00 3.40 O ATOM 214 ND2 ASN A 163 9.107 -5.470 -11.538 1.00 3.47 N ATOM 0 H ASN A 163 9.580 -1.104 -8.045 1.00 2.48 H new ATOM 0 HA ASN A 163 9.895 -1.837 -10.126 1.00 2.78 H new ATOM 0 HB2 ASN A 163 9.904 -4.138 -9.056 1.00 2.88 H new ATOM 0 HB3 ASN A 163 8.215 -4.282 -9.496 1.00 2.88 H new ATOM 0 HD21 ASN A 163 9.346 -5.839 -12.459 1.00 3.47 H new ATOM 0 HD22 ASN A 163 8.521 -6.016 -10.906 1.00 3.47 H new ATOM 221 N LYS A 164 7.028 -0.887 -9.881 1.00 2.69 N ATOM 222 CA LYS A 164 5.888 -0.228 -10.522 1.00 2.78 C ATOM 223 C LYS A 164 4.788 -1.208 -10.936 1.00 2.78 C ATOM 224 O LYS A 164 4.186 -1.074 -12.004 1.00 3.01 O ATOM 225 CB LYS A 164 6.353 0.602 -11.720 1.00 3.11 C ATOM 226 CG LYS A 164 7.289 1.730 -11.326 1.00 3.16 C ATOM 227 CD LYS A 164 6.610 2.751 -10.422 1.00 3.36 C ATOM 228 CE LYS A 164 5.495 3.496 -11.138 1.00 3.97 C ATOM 229 NZ LYS A 164 6.003 4.281 -12.292 1.00 4.66 N ATOM 0 H LYS A 164 7.195 -0.572 -8.925 1.00 2.69 H new ATOM 0 HA LYS A 164 5.448 0.435 -9.777 1.00 2.78 H new ATOM 0 HB2 LYS A 164 6.857 -0.049 -12.434 1.00 3.11 H new ATOM 0 HB3 LYS A 164 5.483 1.018 -12.227 1.00 3.11 H new ATOM 0 HG2 LYS A 164 8.159 1.317 -10.815 1.00 3.16 H new ATOM 0 HG3 LYS A 164 7.654 2.228 -12.224 1.00 3.16 H new ATOM 0 HD2 LYS A 164 6.203 2.245 -9.546 1.00 3.36 H new ATOM 0 HD3 LYS A 164 7.350 3.466 -10.063 1.00 3.36 H new ATOM 0 HE2 LYS A 164 4.747 2.783 -11.485 1.00 3.97 H new ATOM 0 HE3 LYS A 164 4.996 4.164 -10.436 1.00 3.97 H new ATOM 0 HZ1 LYS A 164 5.266 4.940 -12.615 1.00 4.66 H new ATOM 0 HZ2 LYS A 164 6.845 4.819 -12.002 1.00 4.66 H new ATOM 0 HZ3 LYS A 164 6.255 3.635 -13.067 1.00 4.66 H new ATOM 243 N GLN A 165 4.519 -2.183 -10.084 1.00 2.56 N ATOM 244 CA GLN A 165 3.407 -3.091 -10.287 1.00 2.56 C ATOM 245 C GLN A 165 2.238 -2.627 -9.431 1.00 2.31 C ATOM 246 O GLN A 165 2.395 -1.689 -8.668 1.00 2.15 O ATOM 247 CB GLN A 165 3.834 -4.507 -9.920 1.00 2.53 C ATOM 248 CG GLN A 165 3.940 -5.421 -11.132 1.00 2.86 C ATOM 249 CD GLN A 165 4.364 -6.830 -10.785 1.00 3.08 C ATOM 250 OE1 GLN A 165 3.395 -7.694 -10.535 1.00 3.33 O flip ATOM 251 NE2 GLN A 165 5.553 -7.144 -10.751 1.00 3.57 N flip ATOM 0 H GLN A 165 5.061 -2.365 -9.239 1.00 2.56 H new ATOM 0 HA GLN A 165 3.098 -3.093 -11.332 1.00 2.56 H new ATOM 0 HB2 GLN A 165 4.798 -4.471 -9.412 1.00 2.53 H new ATOM 0 HB3 GLN A 165 3.117 -4.927 -9.215 1.00 2.53 H new ATOM 0 HG2 GLN A 165 2.975 -5.454 -11.639 1.00 2.86 H new ATOM 0 HG3 GLN A 165 4.656 -4.997 -11.836 1.00 2.86 H new ATOM 0 HE21 GLN A 165 6.270 -6.447 -10.950 1.00 3.57 H new ATOM 0 HE22 GLN A 165 5.821 -8.101 -10.524 1.00 3.57 H new ATOM 260 N ARG A 166 1.070 -3.248 -9.549 1.00 2.31 N ATOM 261 CA ARG A 166 -0.051 -2.855 -8.716 1.00 2.09 C ATOM 262 C ARG A 166 -0.842 -4.061 -8.220 1.00 2.04 C ATOM 263 O ARG A 166 -1.189 -4.961 -8.984 1.00 2.28 O ATOM 264 CB ARG A 166 -0.966 -1.879 -9.451 1.00 2.22 C ATOM 265 CG ARG A 166 -1.639 -2.442 -10.676 1.00 2.51 C ATOM 266 CD ARG A 166 -2.604 -1.439 -11.285 1.00 2.64 C ATOM 267 NE ARG A 166 -3.361 -2.020 -12.394 1.00 2.98 N ATOM 268 CZ ARG A 166 -4.300 -1.373 -13.085 1.00 3.20 C ATOM 269 NH1 ARG A 166 -4.570 -0.099 -12.828 1.00 3.17 N ATOM 270 NH2 ARG A 166 -4.966 -2.001 -14.044 1.00 3.54 N ATOM 0 H ARG A 166 0.880 -4.010 -10.200 1.00 2.31 H new ATOM 0 HA ARG A 166 0.362 -2.350 -7.843 1.00 2.09 H new ATOM 0 HB2 ARG A 166 -1.734 -1.532 -8.759 1.00 2.22 H new ATOM 0 HB3 ARG A 166 -0.382 -1.006 -9.743 1.00 2.22 H new ATOM 0 HG2 ARG A 166 -0.885 -2.719 -11.413 1.00 2.51 H new ATOM 0 HG3 ARG A 166 -2.176 -3.353 -10.412 1.00 2.51 H new ATOM 0 HD2 ARG A 166 -3.294 -1.087 -10.518 1.00 2.64 H new ATOM 0 HD3 ARG A 166 -2.050 -0.570 -11.639 1.00 2.64 H new ATOM 0 HE ARG A 166 -3.157 -2.984 -12.656 1.00 2.98 H new ATOM 0 HH11 ARG A 166 -4.057 0.393 -12.097 1.00 3.17 H new ATOM 0 HH12 ARG A 166 -5.290 0.387 -13.362 1.00 3.17 H new ATOM 0 HH21 ARG A 166 -4.760 -2.978 -14.252 1.00 3.54 H new ATOM 0 HH22 ARG A 166 -5.685 -1.507 -14.573 1.00 3.54 H new ATOM 284 N THR A 167 -1.081 -4.076 -6.919 1.00 1.77 N ATOM 285 CA THR A 167 -1.879 -5.085 -6.275 1.00 1.75 C ATOM 286 C THR A 167 -2.943 -4.390 -5.420 1.00 1.63 C ATOM 287 O THR A 167 -2.650 -3.405 -4.745 1.00 1.62 O ATOM 288 CB THR A 167 -0.977 -6.002 -5.419 1.00 1.62 C ATOM 289 OG1 THR A 167 -0.985 -7.333 -5.944 1.00 1.91 O ATOM 290 CG2 THR A 167 -1.403 -6.015 -3.967 1.00 1.47 C ATOM 0 H THR A 167 -0.716 -3.372 -6.277 1.00 1.77 H new ATOM 0 HA THR A 167 -2.374 -5.712 -7.017 1.00 1.75 H new ATOM 0 HB THR A 167 0.035 -5.601 -5.464 1.00 1.62 H new ATOM 0 HG1 THR A 167 -0.293 -7.864 -5.499 1.00 1.91 H new ATOM 0 HG21 THR A 167 -0.743 -6.672 -3.400 1.00 1.47 H new ATOM 0 HG22 THR A 167 -1.345 -5.005 -3.562 1.00 1.47 H new ATOM 0 HG23 THR A 167 -2.428 -6.378 -3.892 1.00 1.47 H new ATOM 298 N VAL A 168 -4.174 -4.865 -5.470 1.00 1.71 N ATOM 299 CA VAL A 168 -5.245 -4.222 -4.731 1.00 1.63 C ATOM 300 C VAL A 168 -5.439 -4.889 -3.375 1.00 1.55 C ATOM 301 O VAL A 168 -5.251 -6.097 -3.230 1.00 1.69 O ATOM 302 CB VAL A 168 -6.582 -4.244 -5.507 1.00 1.90 C ATOM 303 CG1 VAL A 168 -7.564 -3.259 -4.925 1.00 2.22 C ATOM 304 CG2 VAL A 168 -6.372 -3.974 -6.975 1.00 2.31 C ATOM 0 H VAL A 168 -4.455 -5.685 -6.008 1.00 1.71 H new ATOM 0 HA VAL A 168 -4.950 -3.182 -4.590 1.00 1.63 H new ATOM 0 HB VAL A 168 -6.999 -5.246 -5.405 1.00 1.90 H new ATOM 0 HG11 VAL A 168 -8.495 -3.296 -5.491 1.00 2.22 H new ATOM 0 HG12 VAL A 168 -7.761 -3.514 -3.884 1.00 2.22 H new ATOM 0 HG13 VAL A 168 -7.146 -2.254 -4.979 1.00 2.22 H new ATOM 0 HG21 VAL A 168 -7.332 -3.997 -7.490 1.00 2.31 H new ATOM 0 HG22 VAL A 168 -5.915 -2.993 -7.103 1.00 2.31 H new ATOM 0 HG23 VAL A 168 -5.717 -4.737 -7.395 1.00 2.31 H new ATOM 314 N VAL A 169 -5.779 -4.092 -2.381 1.00 1.38 N ATOM 315 CA VAL A 169 -6.097 -4.605 -1.064 1.00 1.41 C ATOM 316 C VAL A 169 -7.321 -3.881 -0.502 1.00 1.50 C ATOM 317 O VAL A 169 -7.360 -2.653 -0.475 1.00 1.41 O ATOM 318 CB VAL A 169 -4.894 -4.480 -0.091 1.00 1.24 C ATOM 319 CG1 VAL A 169 -4.386 -3.047 -0.006 1.00 1.57 C ATOM 320 CG2 VAL A 169 -5.254 -5.002 1.293 1.00 1.67 C ATOM 0 H VAL A 169 -5.842 -3.077 -2.463 1.00 1.38 H new ATOM 0 HA VAL A 169 -6.324 -5.666 -1.164 1.00 1.41 H new ATOM 0 HB VAL A 169 -4.089 -5.095 -0.493 1.00 1.24 H new ATOM 0 HG11 VAL A 169 -3.544 -3.000 0.685 1.00 1.57 H new ATOM 0 HG12 VAL A 169 -4.064 -2.716 -0.993 1.00 1.57 H new ATOM 0 HG13 VAL A 169 -5.185 -2.398 0.352 1.00 1.57 H new ATOM 0 HG21 VAL A 169 -4.393 -4.903 1.955 1.00 1.67 H new ATOM 0 HG22 VAL A 169 -6.088 -4.426 1.694 1.00 1.67 H new ATOM 0 HG23 VAL A 169 -5.539 -6.052 1.223 1.00 1.67 H new ATOM 330 N PRO A 170 -8.363 -4.636 -0.112 1.00 1.73 N ATOM 331 CA PRO A 170 -9.571 -4.078 0.491 1.00 1.87 C ATOM 332 C PRO A 170 -9.259 -3.151 1.645 1.00 1.79 C ATOM 333 O PRO A 170 -8.445 -3.472 2.511 1.00 1.76 O ATOM 334 CB PRO A 170 -10.343 -5.309 0.995 1.00 2.12 C ATOM 335 CG PRO A 170 -9.391 -6.447 0.869 1.00 2.10 C ATOM 336 CD PRO A 170 -8.484 -6.083 -0.265 1.00 1.90 C ATOM 0 HA PRO A 170 -10.132 -3.477 -0.225 1.00 1.87 H new ATOM 0 HB2 PRO A 170 -10.663 -5.177 2.028 1.00 2.12 H new ATOM 0 HB3 PRO A 170 -11.241 -5.480 0.402 1.00 2.12 H new ATOM 0 HG2 PRO A 170 -8.828 -6.592 1.791 1.00 2.10 H new ATOM 0 HG3 PRO A 170 -9.918 -7.380 0.667 1.00 2.10 H new ATOM 0 HD2 PRO A 170 -7.518 -6.582 -0.190 1.00 1.90 H new ATOM 0 HD3 PRO A 170 -8.910 -6.356 -1.231 1.00 1.90 H new ATOM 344 N ALA A 171 -9.905 -2.001 1.639 1.00 1.82 N ATOM 345 CA ALA A 171 -9.730 -1.019 2.692 1.00 1.82 C ATOM 346 C ALA A 171 -10.164 -1.614 4.018 1.00 2.05 C ATOM 347 O ALA A 171 -11.343 -1.898 4.236 1.00 2.28 O ATOM 348 CB ALA A 171 -10.525 0.231 2.370 1.00 1.88 C ATOM 0 H ALA A 171 -10.561 -1.722 0.910 1.00 1.82 H new ATOM 0 HA ALA A 171 -8.678 -0.743 2.764 1.00 1.82 H new ATOM 0 HB1 ALA A 171 -10.389 0.964 3.165 1.00 1.88 H new ATOM 0 HB2 ALA A 171 -10.177 0.651 1.426 1.00 1.88 H new ATOM 0 HB3 ALA A 171 -11.582 -0.021 2.287 1.00 1.88 H new ATOM 354 N ARG A 172 -9.196 -1.848 4.879 1.00 2.03 N ATOM 355 CA ARG A 172 -9.438 -2.528 6.131 1.00 2.28 C ATOM 356 C ARG A 172 -9.570 -1.541 7.284 1.00 2.44 C ATOM 357 O ARG A 172 -8.611 -0.873 7.660 1.00 2.39 O ATOM 358 CB ARG A 172 -8.316 -3.533 6.381 1.00 2.23 C ATOM 359 CG ARG A 172 -8.294 -4.692 5.390 1.00 2.18 C ATOM 360 CD ARG A 172 -9.577 -5.518 5.420 1.00 2.43 C ATOM 361 NE ARG A 172 -10.736 -4.774 4.924 1.00 2.82 N ATOM 362 CZ ARG A 172 -11.988 -5.223 4.967 1.00 3.26 C ATOM 363 NH1 ARG A 172 -12.245 -6.447 5.408 1.00 3.26 N ATOM 364 NH2 ARG A 172 -12.983 -4.443 4.562 1.00 3.98 N ATOM 0 H ARG A 172 -8.225 -1.573 4.731 1.00 2.03 H new ATOM 0 HA ARG A 172 -10.386 -3.063 6.068 1.00 2.28 H new ATOM 0 HB2 ARG A 172 -7.359 -3.013 6.338 1.00 2.23 H new ATOM 0 HB3 ARG A 172 -8.417 -3.932 7.390 1.00 2.23 H new ATOM 0 HG2 ARG A 172 -8.142 -4.301 4.384 1.00 2.18 H new ATOM 0 HG3 ARG A 172 -7.445 -5.339 5.613 1.00 2.18 H new ATOM 0 HD2 ARG A 172 -9.441 -6.416 4.817 1.00 2.43 H new ATOM 0 HD3 ARG A 172 -9.770 -5.846 6.441 1.00 2.43 H new ATOM 0 HE ARG A 172 -10.573 -3.852 4.519 1.00 2.82 H new ATOM 0 HH11 ARG A 172 -11.481 -7.049 5.716 1.00 3.26 H new ATOM 0 HH12 ARG A 172 -13.206 -6.787 5.439 1.00 3.26 H new ATOM 0 HH21 ARG A 172 -12.787 -3.503 4.219 1.00 3.98 H new ATOM 0 HH22 ARG A 172 -13.944 -4.784 4.594 1.00 3.98 H new ATOM 378 N CYS A 173 -10.777 -1.446 7.827 1.00 2.68 N ATOM 379 CA CYS A 173 -11.049 -0.573 8.957 1.00 2.89 C ATOM 380 C CYS A 173 -10.518 -1.191 10.242 1.00 3.07 C ATOM 381 O CYS A 173 -10.679 -2.393 10.479 1.00 3.19 O ATOM 382 CB CYS A 173 -12.550 -0.313 9.065 1.00 3.08 C ATOM 383 SG CYS A 173 -13.559 -1.807 8.954 1.00 3.37 S ATOM 0 H CYS A 173 -11.589 -1.969 7.498 1.00 2.68 H new ATOM 0 HA CYS A 173 -10.541 0.378 8.800 1.00 2.89 H new ATOM 0 HB2 CYS A 173 -12.756 0.183 10.013 1.00 3.08 H new ATOM 0 HB3 CYS A 173 -12.848 0.375 8.274 1.00 3.08 H new ATOM 0 HG CYS A 173 -14.816 -1.491 9.058 1.00 3.37 H new ATOM 389 N GLY A 174 -9.869 -0.374 11.059 1.00 3.11 N ATOM 390 CA GLY A 174 -9.233 -0.881 12.257 1.00 3.31 C ATOM 391 C GLY A 174 -7.979 -1.657 11.918 1.00 3.16 C ATOM 392 O GLY A 174 -7.449 -2.404 12.740 1.00 3.34 O ATOM 0 H GLY A 174 -9.772 0.631 10.913 1.00 3.11 H new ATOM 0 HA2 GLY A 174 -8.984 -0.052 12.920 1.00 3.31 H new ATOM 0 HA3 GLY A 174 -9.928 -1.524 12.798 1.00 3.31 H new ATOM 396 N VAL A 175 -7.519 -1.476 10.690 1.00 2.87 N ATOM 397 CA VAL A 175 -6.344 -2.158 10.187 1.00 2.70 C ATOM 398 C VAL A 175 -5.386 -1.138 9.604 1.00 2.51 C ATOM 399 O VAL A 175 -5.804 -0.146 9.004 1.00 2.45 O ATOM 400 CB VAL A 175 -6.720 -3.206 9.117 1.00 2.53 C ATOM 401 CG1 VAL A 175 -5.487 -3.879 8.538 1.00 2.60 C ATOM 402 CG2 VAL A 175 -7.625 -4.263 9.713 1.00 2.77 C ATOM 0 H VAL A 175 -7.954 -0.849 10.014 1.00 2.87 H new ATOM 0 HA VAL A 175 -5.866 -2.684 11.013 1.00 2.70 H new ATOM 0 HB VAL A 175 -7.239 -2.681 8.316 1.00 2.53 H new ATOM 0 HG11 VAL A 175 -5.790 -4.610 7.788 1.00 2.60 H new ATOM 0 HG12 VAL A 175 -4.847 -3.128 8.075 1.00 2.60 H new ATOM 0 HG13 VAL A 175 -4.939 -4.382 9.335 1.00 2.60 H new ATOM 0 HG21 VAL A 175 -7.882 -4.995 8.948 1.00 2.77 H new ATOM 0 HG22 VAL A 175 -7.110 -4.762 10.534 1.00 2.77 H new ATOM 0 HG23 VAL A 175 -8.535 -3.794 10.087 1.00 2.77 H new ATOM 412 N THR A 176 -4.108 -1.382 9.782 1.00 2.46 N ATOM 413 CA THR A 176 -3.104 -0.446 9.359 1.00 2.32 C ATOM 414 C THR A 176 -2.621 -0.835 7.983 1.00 1.98 C ATOM 415 O THR A 176 -2.943 -1.926 7.492 1.00 1.90 O ATOM 416 CB THR A 176 -1.916 -0.429 10.336 1.00 2.50 C ATOM 417 OG1 THR A 176 -1.353 -1.742 10.445 1.00 2.55 O ATOM 418 CG2 THR A 176 -2.345 0.054 11.714 1.00 2.83 C ATOM 0 H THR A 176 -3.742 -2.227 10.220 1.00 2.46 H new ATOM 0 HA THR A 176 -3.541 0.552 9.339 1.00 2.32 H new ATOM 0 HB THR A 176 -1.168 0.261 9.944 1.00 2.50 H new ATOM 0 HG1 THR A 176 -0.830 -1.806 11.271 1.00 2.55 H new ATOM 0 HG21 THR A 176 -1.485 0.055 12.383 1.00 2.83 H new ATOM 0 HG22 THR A 176 -2.746 1.064 11.637 1.00 2.83 H new ATOM 0 HG23 THR A 176 -3.112 -0.612 12.110 1.00 2.83 H new ATOM 426 N VAL A 177 -1.852 0.029 7.353 1.00 1.82 N ATOM 427 CA VAL A 177 -1.251 -0.323 6.085 1.00 1.52 C ATOM 428 C VAL A 177 -0.348 -1.535 6.290 1.00 1.52 C ATOM 429 O VAL A 177 -0.100 -2.287 5.375 1.00 1.33 O ATOM 430 CB VAL A 177 -0.439 0.842 5.462 1.00 1.45 C ATOM 431 CG1 VAL A 177 -1.113 2.173 5.727 1.00 1.78 C ATOM 432 CG2 VAL A 177 0.989 0.861 5.974 1.00 1.92 C ATOM 0 H VAL A 177 -1.631 0.965 7.692 1.00 1.82 H new ATOM 0 HA VAL A 177 -2.055 -0.553 5.386 1.00 1.52 H new ATOM 0 HB VAL A 177 -0.407 0.677 4.385 1.00 1.45 H new ATOM 0 HG11 VAL A 177 -0.524 2.974 5.280 1.00 1.78 H new ATOM 0 HG12 VAL A 177 -2.111 2.169 5.290 1.00 1.78 H new ATOM 0 HG13 VAL A 177 -1.189 2.335 6.802 1.00 1.78 H new ATOM 0 HG21 VAL A 177 1.529 1.690 5.516 1.00 1.92 H new ATOM 0 HG22 VAL A 177 0.986 0.984 7.057 1.00 1.92 H new ATOM 0 HG23 VAL A 177 1.480 -0.077 5.717 1.00 1.92 H new ATOM 442 N ARG A 178 0.098 -1.740 7.521 1.00 1.79 N ATOM 443 CA ARG A 178 1.008 -2.819 7.830 1.00 1.88 C ATOM 444 C ARG A 178 0.394 -4.186 7.549 1.00 1.85 C ATOM 445 O ARG A 178 1.062 -5.062 7.008 1.00 1.73 O ATOM 446 CB ARG A 178 1.466 -2.694 9.284 1.00 2.23 C ATOM 447 CG ARG A 178 2.441 -3.765 9.723 1.00 2.43 C ATOM 448 CD ARG A 178 3.549 -3.945 8.705 1.00 2.70 C ATOM 449 NE ARG A 178 4.544 -4.922 9.136 1.00 3.12 N ATOM 450 CZ ARG A 178 4.510 -6.214 8.818 1.00 3.76 C ATOM 451 NH1 ARG A 178 3.494 -6.706 8.119 1.00 4.24 N ATOM 452 NH2 ARG A 178 5.490 -7.018 9.209 1.00 4.27 N ATOM 0 H ARG A 178 -0.161 -1.166 8.323 1.00 1.79 H new ATOM 0 HA ARG A 178 1.876 -2.738 7.176 1.00 1.88 H new ATOM 0 HB2 ARG A 178 1.929 -1.717 9.424 1.00 2.23 H new ATOM 0 HB3 ARG A 178 0.591 -2.728 9.933 1.00 2.23 H new ATOM 0 HG2 ARG A 178 2.870 -3.497 10.688 1.00 2.43 H new ATOM 0 HG3 ARG A 178 1.912 -4.708 9.860 1.00 2.43 H new ATOM 0 HD2 ARG A 178 3.119 -4.263 7.755 1.00 2.70 H new ATOM 0 HD3 ARG A 178 4.037 -2.986 8.529 1.00 2.70 H new ATOM 0 HE ARG A 178 5.315 -4.594 9.718 1.00 3.12 H new ATOM 0 HH11 ARG A 178 2.734 -6.093 7.823 1.00 4.24 H new ATOM 0 HH12 ARG A 178 3.473 -7.697 7.878 1.00 4.24 H new ATOM 0 HH21 ARG A 178 6.269 -6.646 9.753 1.00 4.27 H new ATOM 0 HH22 ARG A 178 5.465 -8.008 8.966 1.00 4.27 H new ATOM 466 N ASP A 179 -0.866 -4.365 7.896 1.00 2.00 N ATOM 467 CA ASP A 179 -1.544 -5.632 7.657 1.00 2.07 C ATOM 468 C ASP A 179 -1.936 -5.742 6.195 1.00 1.81 C ATOM 469 O ASP A 179 -1.608 -6.714 5.503 1.00 1.77 O ATOM 470 CB ASP A 179 -2.805 -5.733 8.510 1.00 2.32 C ATOM 471 CG ASP A 179 -3.264 -7.164 8.709 1.00 2.51 C ATOM 472 OD1 ASP A 179 -2.991 -7.739 9.786 1.00 2.78 O ATOM 473 OD2 ASP A 179 -3.910 -7.719 7.797 1.00 2.87 O ATOM 0 H ASP A 179 -1.443 -3.653 8.344 1.00 2.00 H new ATOM 0 HA ASP A 179 -0.861 -6.439 7.922 1.00 2.07 H new ATOM 0 HB2 ASP A 179 -2.618 -5.277 9.482 1.00 2.32 H new ATOM 0 HB3 ASP A 179 -3.604 -5.162 8.038 1.00 2.32 H new ATOM 478 N SER A 180 -2.611 -4.710 5.724 1.00 1.66 N ATOM 479 CA SER A 180 -3.164 -4.713 4.387 1.00 1.46 C ATOM 480 C SER A 180 -2.057 -4.792 3.333 1.00 1.22 C ATOM 481 O SER A 180 -2.123 -5.589 2.386 1.00 1.22 O ATOM 482 CB SER A 180 -4.036 -3.470 4.217 1.00 1.40 C ATOM 483 OG SER A 180 -5.217 -3.589 4.988 1.00 1.99 O ATOM 0 H SER A 180 -2.789 -3.856 6.252 1.00 1.66 H new ATOM 0 HA SER A 180 -3.784 -5.598 4.243 1.00 1.46 H new ATOM 0 HB2 SER A 180 -3.481 -2.583 4.524 1.00 1.40 H new ATOM 0 HB3 SER A 180 -4.292 -3.338 3.166 1.00 1.40 H new ATOM 0 HG SER A 180 -5.998 -3.544 4.398 1.00 1.99 H new ATOM 489 N LEU A 181 -1.024 -3.992 3.516 1.00 1.10 N ATOM 490 CA LEU A 181 0.112 -4.008 2.630 1.00 0.92 C ATOM 491 C LEU A 181 0.956 -5.258 2.820 1.00 1.10 C ATOM 492 O LEU A 181 1.644 -5.671 1.898 1.00 1.07 O ATOM 493 CB LEU A 181 0.978 -2.787 2.869 1.00 0.85 C ATOM 494 CG LEU A 181 0.557 -1.516 2.142 1.00 0.68 C ATOM 495 CD1 LEU A 181 0.971 -1.594 0.697 1.00 0.94 C ATOM 496 CD2 LEU A 181 -0.941 -1.265 2.254 1.00 1.34 C ATOM 0 H LEU A 181 -0.953 -3.319 4.279 1.00 1.10 H new ATOM 0 HA LEU A 181 -0.272 -4.002 1.610 1.00 0.92 H new ATOM 0 HB2 LEU A 181 0.994 -2.581 3.939 1.00 0.85 H new ATOM 0 HB3 LEU A 181 2.000 -3.028 2.576 1.00 0.85 H new ATOM 0 HG LEU A 181 1.061 -0.675 2.619 1.00 0.68 H new ATOM 0 HD11 LEU A 181 0.667 -0.683 0.182 1.00 0.94 H new ATOM 0 HD12 LEU A 181 2.054 -1.703 0.634 1.00 0.94 H new ATOM 0 HD13 LEU A 181 0.492 -2.453 0.227 1.00 0.94 H new ATOM 0 HD21 LEU A 181 -1.197 -0.349 1.722 1.00 1.34 H new ATOM 0 HD22 LEU A 181 -1.484 -2.103 1.817 1.00 1.34 H new ATOM 0 HD23 LEU A 181 -1.215 -1.163 3.304 1.00 1.34 H new ATOM 508 N LYS A 182 0.933 -5.844 4.020 1.00 1.35 N ATOM 509 CA LYS A 182 1.699 -7.068 4.258 1.00 1.55 C ATOM 510 C LYS A 182 1.307 -8.130 3.238 1.00 1.54 C ATOM 511 O LYS A 182 2.170 -8.799 2.676 1.00 1.58 O ATOM 512 CB LYS A 182 1.517 -7.594 5.693 1.00 1.84 C ATOM 513 CG LYS A 182 0.568 -8.762 5.835 1.00 2.25 C ATOM 514 CD LYS A 182 0.356 -9.108 7.286 1.00 2.48 C ATOM 515 CE LYS A 182 -1.030 -9.651 7.479 1.00 2.59 C ATOM 516 NZ LYS A 182 -1.181 -11.023 6.926 1.00 3.08 N ATOM 0 H LYS A 182 0.406 -5.501 4.823 1.00 1.35 H new ATOM 0 HA LYS A 182 2.756 -6.830 4.140 1.00 1.55 H new ATOM 0 HB2 LYS A 182 2.492 -7.889 6.081 1.00 1.84 H new ATOM 0 HB3 LYS A 182 1.159 -6.777 6.320 1.00 1.84 H new ATOM 0 HG2 LYS A 182 -0.388 -8.518 5.372 1.00 2.25 H new ATOM 0 HG3 LYS A 182 0.967 -9.627 5.305 1.00 2.25 H new ATOM 0 HD2 LYS A 182 1.093 -9.844 7.606 1.00 2.48 H new ATOM 0 HD3 LYS A 182 0.500 -8.223 7.906 1.00 2.48 H new ATOM 0 HE2 LYS A 182 -1.269 -9.662 8.543 1.00 2.59 H new ATOM 0 HE3 LYS A 182 -1.748 -8.987 6.998 1.00 2.59 H new ATOM 0 HZ1 LYS A 182 -2.154 -11.355 7.083 1.00 3.08 H new ATOM 0 HZ2 LYS A 182 -0.980 -11.010 5.906 1.00 3.08 H new ATOM 0 HZ3 LYS A 182 -0.515 -11.664 7.402 1.00 3.08 H new ATOM 530 N LYS A 183 0.006 -8.264 2.978 1.00 1.56 N ATOM 531 CA LYS A 183 -0.447 -9.167 1.929 1.00 1.62 C ATOM 532 C LYS A 183 0.025 -8.667 0.573 1.00 1.47 C ATOM 533 O LYS A 183 0.548 -9.435 -0.237 1.00 1.59 O ATOM 534 CB LYS A 183 -1.968 -9.292 1.899 1.00 1.72 C ATOM 535 CG LYS A 183 -2.450 -10.136 0.727 1.00 1.85 C ATOM 536 CD LYS A 183 -3.861 -9.785 0.293 1.00 1.95 C ATOM 537 CE LYS A 183 -3.982 -8.329 -0.123 1.00 2.25 C ATOM 538 NZ LYS A 183 -5.323 -8.026 -0.680 1.00 2.75 N ATOM 0 H LYS A 183 -0.737 -7.768 3.470 1.00 1.56 H new ATOM 0 HA LYS A 183 -0.023 -10.148 2.145 1.00 1.62 H new ATOM 0 HB2 LYS A 183 -2.313 -9.737 2.832 1.00 1.72 H new ATOM 0 HB3 LYS A 183 -2.412 -8.298 1.837 1.00 1.72 H new ATOM 0 HG2 LYS A 183 -1.771 -10.002 -0.115 1.00 1.85 H new ATOM 0 HG3 LYS A 183 -2.411 -11.190 1.003 1.00 1.85 H new ATOM 0 HD2 LYS A 183 -4.154 -10.425 -0.539 1.00 1.95 H new ATOM 0 HD3 LYS A 183 -4.553 -9.987 1.111 1.00 1.95 H new ATOM 0 HE2 LYS A 183 -3.792 -7.688 0.738 1.00 2.25 H new ATOM 0 HE3 LYS A 183 -3.219 -8.098 -0.866 1.00 2.25 H new ATOM 0 HZ1 LYS A 183 -5.238 -7.287 -1.407 1.00 2.75 H new ATOM 0 HZ2 LYS A 183 -5.724 -8.886 -1.106 1.00 2.75 H new ATOM 0 HZ3 LYS A 183 -5.948 -7.693 0.082 1.00 2.75 H new ATOM 552 N ALA A 184 -0.170 -7.372 0.342 1.00 1.26 N ATOM 553 CA ALA A 184 0.185 -6.744 -0.927 1.00 1.18 C ATOM 554 C ALA A 184 1.620 -7.071 -1.333 1.00 1.25 C ATOM 555 O ALA A 184 1.883 -7.486 -2.465 1.00 1.43 O ATOM 556 CB ALA A 184 -0.005 -5.236 -0.822 1.00 0.93 C ATOM 0 H ALA A 184 -0.576 -6.732 1.024 1.00 1.26 H new ATOM 0 HA ALA A 184 -0.473 -7.141 -1.700 1.00 1.18 H new ATOM 0 HB1 ALA A 184 0.261 -4.769 -1.770 1.00 0.93 H new ATOM 0 HB2 ALA A 184 -1.047 -5.016 -0.588 1.00 0.93 H new ATOM 0 HB3 ALA A 184 0.635 -4.843 -0.032 1.00 0.93 H new ATOM 562 N LEU A 185 2.535 -6.882 -0.401 1.00 1.18 N ATOM 563 CA LEU A 185 3.930 -7.190 -0.607 1.00 1.30 C ATOM 564 C LEU A 185 4.132 -8.696 -0.752 1.00 1.54 C ATOM 565 O LEU A 185 4.688 -9.160 -1.747 1.00 1.70 O ATOM 566 CB LEU A 185 4.744 -6.643 0.569 1.00 1.28 C ATOM 567 CG LEU A 185 4.755 -5.115 0.690 1.00 1.20 C ATOM 568 CD1 LEU A 185 4.673 -4.695 2.145 1.00 1.69 C ATOM 569 CD2 LEU A 185 6.008 -4.529 0.054 1.00 1.54 C ATOM 0 H LEU A 185 2.326 -6.508 0.525 1.00 1.18 H new ATOM 0 HA LEU A 185 4.272 -6.720 -1.529 1.00 1.30 H new ATOM 0 HB2 LEU A 185 4.348 -7.063 1.493 1.00 1.28 H new ATOM 0 HB3 LEU A 185 5.772 -6.993 0.475 1.00 1.28 H new ATOM 0 HG LEU A 185 3.883 -4.731 0.160 1.00 1.20 H new ATOM 0 HD11 LEU A 185 4.682 -3.607 2.211 1.00 1.69 H new ATOM 0 HD12 LEU A 185 3.751 -5.077 2.583 1.00 1.69 H new ATOM 0 HD13 LEU A 185 5.527 -5.098 2.689 1.00 1.69 H new ATOM 0 HD21 LEU A 185 5.993 -3.444 0.153 1.00 1.54 H new ATOM 0 HD22 LEU A 185 6.890 -4.926 0.555 1.00 1.54 H new ATOM 0 HD23 LEU A 185 6.039 -4.797 -1.002 1.00 1.54 H new ATOM 581 N MET A 186 3.635 -9.457 0.221 1.00 1.61 N ATOM 582 CA MET A 186 3.873 -10.900 0.277 1.00 1.84 C ATOM 583 C MET A 186 3.364 -11.636 -0.964 1.00 1.98 C ATOM 584 O MET A 186 3.904 -12.685 -1.319 1.00 2.18 O ATOM 585 CB MET A 186 3.241 -11.505 1.532 1.00 1.94 C ATOM 586 CG MET A 186 4.016 -11.233 2.819 1.00 1.99 C ATOM 587 SD MET A 186 5.220 -12.521 3.222 1.00 2.29 S ATOM 588 CE MET A 186 6.453 -12.279 1.946 1.00 2.25 C ATOM 0 H MET A 186 3.063 -9.098 0.985 1.00 1.61 H new ATOM 0 HA MET A 186 4.955 -11.030 0.312 1.00 1.84 H new ATOM 0 HB2 MET A 186 2.230 -11.113 1.641 1.00 1.94 H new ATOM 0 HB3 MET A 186 3.152 -12.583 1.396 1.00 1.94 H new ATOM 0 HG2 MET A 186 4.534 -10.278 2.727 1.00 1.99 H new ATOM 0 HG3 MET A 186 3.311 -11.135 3.644 1.00 1.99 H new ATOM 0 HE1 MET A 186 7.360 -12.824 2.208 1.00 2.25 H new ATOM 0 HE2 MET A 186 6.070 -12.649 0.995 1.00 2.25 H new ATOM 0 HE3 MET A 186 6.681 -11.217 1.857 1.00 2.25 H new ATOM 598 N MET A 187 2.349 -11.094 -1.634 1.00 1.91 N ATOM 599 CA MET A 187 1.818 -11.744 -2.832 1.00 2.11 C ATOM 600 C MET A 187 2.850 -11.738 -3.953 1.00 2.24 C ATOM 601 O MET A 187 2.934 -12.684 -4.737 1.00 2.50 O ATOM 602 CB MET A 187 0.516 -11.092 -3.312 1.00 2.07 C ATOM 603 CG MET A 187 -0.693 -11.446 -2.461 1.00 2.07 C ATOM 604 SD MET A 187 -2.243 -11.348 -3.378 1.00 2.22 S ATOM 605 CE MET A 187 -2.391 -9.581 -3.594 1.00 1.99 C ATOM 0 H MET A 187 1.885 -10.223 -1.375 1.00 1.91 H new ATOM 0 HA MET A 187 1.592 -12.775 -2.561 1.00 2.11 H new ATOM 0 HB2 MET A 187 0.642 -10.009 -3.316 1.00 2.07 H new ATOM 0 HB3 MET A 187 0.326 -11.395 -4.342 1.00 2.07 H new ATOM 0 HG2 MET A 187 -0.572 -12.455 -2.067 1.00 2.07 H new ATOM 0 HG3 MET A 187 -0.739 -10.773 -1.605 1.00 2.07 H new ATOM 0 HE1 MET A 187 -3.425 -9.329 -3.830 1.00 1.99 H new ATOM 0 HE2 MET A 187 -2.095 -9.076 -2.674 1.00 1.99 H new ATOM 0 HE3 MET A 187 -1.743 -9.259 -4.409 1.00 1.99 H new ATOM 615 N ARG A 188 3.633 -10.672 -4.023 1.00 2.10 N ATOM 616 CA ARG A 188 4.720 -10.576 -4.991 1.00 2.26 C ATOM 617 C ARG A 188 6.021 -11.106 -4.418 1.00 2.31 C ATOM 618 O ARG A 188 7.058 -11.107 -5.082 1.00 2.49 O ATOM 619 CB ARG A 188 4.900 -9.135 -5.424 1.00 2.17 C ATOM 620 CG ARG A 188 3.968 -8.752 -6.545 1.00 2.35 C ATOM 621 CD ARG A 188 4.512 -7.584 -7.343 1.00 2.34 C ATOM 622 NE ARG A 188 5.877 -7.846 -7.801 1.00 2.97 N ATOM 623 CZ ARG A 188 6.879 -6.973 -7.729 1.00 3.63 C ATOM 624 NH1 ARG A 188 6.678 -5.770 -7.217 1.00 3.90 N ATOM 625 NH2 ARG A 188 8.086 -7.312 -8.163 1.00 4.43 N ATOM 0 H ARG A 188 3.537 -9.856 -3.418 1.00 2.10 H new ATOM 0 HA ARG A 188 4.456 -11.188 -5.854 1.00 2.26 H new ATOM 0 HB2 ARG A 188 4.728 -8.478 -4.571 1.00 2.17 H new ATOM 0 HB3 ARG A 188 5.931 -8.980 -5.743 1.00 2.17 H new ATOM 0 HG2 ARG A 188 3.819 -9.607 -7.204 1.00 2.35 H new ATOM 0 HG3 ARG A 188 2.992 -8.492 -6.136 1.00 2.35 H new ATOM 0 HD2 ARG A 188 3.868 -7.395 -8.202 1.00 2.34 H new ATOM 0 HD3 ARG A 188 4.498 -6.683 -6.730 1.00 2.34 H new ATOM 0 HE ARG A 188 6.074 -8.762 -8.204 1.00 2.97 H new ATOM 0 HH11 ARG A 188 5.753 -5.509 -6.876 1.00 3.90 H new ATOM 0 HH12 ARG A 188 7.448 -5.103 -7.163 1.00 3.90 H new ATOM 0 HH21 ARG A 188 8.246 -8.241 -8.552 1.00 4.43 H new ATOM 0 HH22 ARG A 188 8.854 -6.643 -8.108 1.00 4.43 H new ATOM 639 N GLY A 189 5.949 -11.544 -3.181 1.00 2.21 N ATOM 640 CA GLY A 189 7.119 -12.062 -2.497 1.00 2.31 C ATOM 641 C GLY A 189 7.924 -10.958 -1.855 1.00 2.19 C ATOM 642 O GLY A 189 9.075 -11.154 -1.462 1.00 2.31 O ATOM 0 H GLY A 189 5.094 -11.553 -2.626 1.00 2.21 H new ATOM 0 HA2 GLY A 189 6.808 -12.777 -1.735 1.00 2.31 H new ATOM 0 HA3 GLY A 189 7.745 -12.604 -3.206 1.00 2.31 H new ATOM 646 N LEU A 190 7.300 -9.799 -1.743 1.00 1.98 N ATOM 647 CA LEU A 190 7.945 -8.616 -1.204 1.00 1.90 C ATOM 648 C LEU A 190 7.747 -8.567 0.303 1.00 1.80 C ATOM 649 O LEU A 190 6.848 -9.216 0.838 1.00 1.79 O ATOM 650 CB LEU A 190 7.341 -7.364 -1.841 1.00 1.80 C ATOM 651 CG LEU A 190 7.084 -7.452 -3.342 1.00 2.15 C ATOM 652 CD1 LEU A 190 6.510 -6.152 -3.851 1.00 2.28 C ATOM 653 CD2 LEU A 190 8.350 -7.807 -4.100 1.00 2.37 C ATOM 0 H LEU A 190 6.330 -9.652 -2.024 1.00 1.98 H new ATOM 0 HA LEU A 190 9.011 -8.655 -1.427 1.00 1.90 H new ATOM 0 HB2 LEU A 190 6.399 -7.141 -1.341 1.00 1.80 H new ATOM 0 HB3 LEU A 190 8.008 -6.523 -1.653 1.00 1.80 H new ATOM 0 HG LEU A 190 6.360 -8.249 -3.513 1.00 2.15 H new ATOM 0 HD11 LEU A 190 6.331 -6.228 -4.924 1.00 2.28 H new ATOM 0 HD12 LEU A 190 5.570 -5.945 -3.340 1.00 2.28 H new ATOM 0 HD13 LEU A 190 7.214 -5.343 -3.657 1.00 2.28 H new ATOM 0 HD21 LEU A 190 8.132 -7.862 -5.167 1.00 2.37 H new ATOM 0 HD22 LEU A 190 9.107 -7.043 -3.923 1.00 2.37 H new ATOM 0 HD23 LEU A 190 8.722 -8.772 -3.756 1.00 2.37 H new ATOM 665 N ILE A 191 8.577 -7.802 0.986 1.00 1.81 N ATOM 666 CA ILE A 191 8.468 -7.677 2.429 1.00 1.83 C ATOM 667 C ILE A 191 8.375 -6.219 2.859 1.00 1.70 C ATOM 668 O ILE A 191 9.034 -5.345 2.295 1.00 1.69 O ATOM 669 CB ILE A 191 9.657 -8.340 3.148 1.00 2.08 C ATOM 670 CG1 ILE A 191 10.976 -7.701 2.707 1.00 2.17 C ATOM 671 CG2 ILE A 191 9.658 -9.833 2.864 1.00 2.25 C ATOM 672 CD1 ILE A 191 12.160 -8.121 3.538 1.00 2.42 C ATOM 0 H ILE A 191 9.332 -7.259 0.568 1.00 1.81 H new ATOM 0 HA ILE A 191 7.550 -8.191 2.714 1.00 1.83 H new ATOM 0 HB ILE A 191 9.554 -8.187 4.222 1.00 2.08 H new ATOM 0 HG12 ILE A 191 11.164 -7.960 1.665 1.00 2.17 H new ATOM 0 HG13 ILE A 191 10.877 -6.616 2.753 1.00 2.17 H new ATOM 0 HG21 ILE A 191 10.501 -10.300 3.374 1.00 2.25 H new ATOM 0 HG22 ILE A 191 8.728 -10.272 3.224 1.00 2.25 H new ATOM 0 HG23 ILE A 191 9.747 -9.999 1.790 1.00 2.25 H new ATOM 0 HD11 ILE A 191 13.058 -7.628 3.166 1.00 2.42 H new ATOM 0 HD12 ILE A 191 11.994 -7.837 4.577 1.00 2.42 H new ATOM 0 HD13 ILE A 191 12.286 -9.202 3.472 1.00 2.42 H new ATOM 684 N PRO A 192 7.539 -5.946 3.871 1.00 1.68 N ATOM 685 CA PRO A 192 7.351 -4.598 4.415 1.00 1.62 C ATOM 686 C PRO A 192 8.546 -4.129 5.234 1.00 1.81 C ATOM 687 O PRO A 192 8.643 -2.959 5.593 1.00 1.84 O ATOM 688 CB PRO A 192 6.120 -4.745 5.314 1.00 1.67 C ATOM 689 CG PRO A 192 6.102 -6.180 5.708 1.00 1.84 C ATOM 690 CD PRO A 192 6.690 -6.943 4.554 1.00 1.78 C ATOM 0 HA PRO A 192 7.237 -3.856 3.625 1.00 1.62 H new ATOM 0 HB2 PRO A 192 6.189 -4.096 6.187 1.00 1.67 H new ATOM 0 HB3 PRO A 192 5.208 -4.470 4.784 1.00 1.67 H new ATOM 0 HG2 PRO A 192 6.683 -6.341 6.616 1.00 1.84 H new ATOM 0 HG3 PRO A 192 5.085 -6.513 5.916 1.00 1.84 H new ATOM 0 HD2 PRO A 192 7.273 -7.799 4.895 1.00 1.78 H new ATOM 0 HD3 PRO A 192 5.914 -7.329 3.892 1.00 1.78 H new ATOM 698 N GLU A 193 9.460 -5.053 5.511 1.00 2.01 N ATOM 699 CA GLU A 193 10.626 -4.766 6.335 1.00 2.24 C ATOM 700 C GLU A 193 11.540 -3.745 5.666 1.00 2.20 C ATOM 701 O GLU A 193 12.152 -2.916 6.337 1.00 2.35 O ATOM 702 CB GLU A 193 11.412 -6.048 6.600 1.00 2.47 C ATOM 703 CG GLU A 193 10.567 -7.173 7.169 1.00 2.64 C ATOM 704 CD GLU A 193 11.336 -8.469 7.316 1.00 2.94 C ATOM 705 OE1 GLU A 193 11.054 -9.419 6.555 1.00 3.24 O ATOM 706 OE2 GLU A 193 12.223 -8.544 8.192 1.00 3.32 O ATOM 0 H GLU A 193 9.413 -6.014 5.173 1.00 2.01 H new ATOM 0 HA GLU A 193 10.270 -4.350 7.277 1.00 2.24 H new ATOM 0 HB2 GLU A 193 11.869 -6.383 5.669 1.00 2.47 H new ATOM 0 HB3 GLU A 193 12.225 -5.829 7.293 1.00 2.47 H new ATOM 0 HG2 GLU A 193 10.180 -6.873 8.143 1.00 2.64 H new ATOM 0 HG3 GLU A 193 9.706 -7.338 6.521 1.00 2.64 H new ATOM 713 N CYS A 194 11.631 -3.811 4.347 1.00 2.09 N ATOM 714 CA CYS A 194 12.551 -2.954 3.612 1.00 2.14 C ATOM 715 C CYS A 194 11.827 -2.025 2.640 1.00 1.95 C ATOM 716 O CYS A 194 12.449 -1.449 1.753 1.00 2.06 O ATOM 717 CB CYS A 194 13.550 -3.818 2.847 1.00 2.29 C ATOM 718 SG CYS A 194 14.446 -4.996 3.884 1.00 2.85 S ATOM 0 H CYS A 194 11.083 -4.445 3.765 1.00 2.09 H new ATOM 0 HA CYS A 194 13.069 -2.327 4.338 1.00 2.14 H new ATOM 0 HB2 CYS A 194 13.020 -4.365 2.068 1.00 2.29 H new ATOM 0 HB3 CYS A 194 14.269 -3.169 2.348 1.00 2.29 H new ATOM 0 HG CYS A 194 15.267 -5.685 3.148 1.00 2.85 H new ATOM 724 N CYS A 195 10.526 -1.858 2.810 1.00 1.74 N ATOM 725 CA CYS A 195 9.753 -1.054 1.872 1.00 1.57 C ATOM 726 C CYS A 195 9.001 0.061 2.600 1.00 1.53 C ATOM 727 O CYS A 195 8.864 0.025 3.823 1.00 1.63 O ATOM 728 CB CYS A 195 8.769 -1.945 1.109 1.00 1.38 C ATOM 729 SG CYS A 195 9.549 -3.309 0.215 1.00 1.62 S ATOM 0 H CYS A 195 9.987 -2.261 3.577 1.00 1.74 H new ATOM 0 HA CYS A 195 10.441 -0.593 1.164 1.00 1.57 H new ATOM 0 HB2 CYS A 195 8.044 -2.354 1.813 1.00 1.38 H new ATOM 0 HB3 CYS A 195 8.214 -1.331 0.400 1.00 1.38 H new ATOM 0 HG CYS A 195 9.344 -4.421 0.856 1.00 1.62 H new ATOM 735 N ALA A 196 8.524 1.050 1.842 1.00 1.46 N ATOM 736 CA ALA A 196 7.829 2.203 2.407 1.00 1.48 C ATOM 737 C ALA A 196 6.504 2.446 1.712 1.00 1.27 C ATOM 738 O ALA A 196 6.339 2.092 0.560 1.00 1.25 O ATOM 739 CB ALA A 196 8.688 3.452 2.302 1.00 1.73 C ATOM 0 H ALA A 196 8.609 1.073 0.826 1.00 1.46 H new ATOM 0 HA ALA A 196 7.637 1.982 3.457 1.00 1.48 H new ATOM 0 HB1 ALA A 196 8.152 4.299 2.729 1.00 1.73 H new ATOM 0 HB2 ALA A 196 9.619 3.300 2.848 1.00 1.73 H new ATOM 0 HB3 ALA A 196 8.910 3.654 1.254 1.00 1.73 H new ATOM 745 N VAL A 197 5.567 3.073 2.398 1.00 1.22 N ATOM 746 CA VAL A 197 4.254 3.297 1.819 1.00 1.03 C ATOM 747 C VAL A 197 4.002 4.781 1.573 1.00 1.17 C ATOM 748 O VAL A 197 4.210 5.624 2.444 1.00 1.38 O ATOM 749 CB VAL A 197 3.145 2.687 2.698 1.00 0.96 C ATOM 750 CG1 VAL A 197 1.774 2.829 2.051 1.00 1.34 C ATOM 751 CG2 VAL A 197 3.456 1.231 2.968 1.00 1.38 C ATOM 0 H VAL A 197 5.687 3.433 3.345 1.00 1.22 H new ATOM 0 HA VAL A 197 4.231 2.792 0.854 1.00 1.03 H new ATOM 0 HB VAL A 197 3.116 3.233 3.641 1.00 0.96 H new ATOM 0 HG11 VAL A 197 1.018 2.387 2.700 1.00 1.34 H new ATOM 0 HG12 VAL A 197 1.551 3.885 1.900 1.00 1.34 H new ATOM 0 HG13 VAL A 197 1.771 2.316 1.089 1.00 1.34 H new ATOM 0 HG21 VAL A 197 2.671 0.801 3.590 1.00 1.38 H new ATOM 0 HG22 VAL A 197 3.509 0.689 2.024 1.00 1.38 H new ATOM 0 HG23 VAL A 197 4.412 1.153 3.485 1.00 1.38 H new ATOM 761 N TYR A 198 3.590 5.076 0.355 1.00 1.15 N ATOM 762 CA TYR A 198 3.289 6.423 -0.094 1.00 1.34 C ATOM 763 C TYR A 198 1.912 6.463 -0.742 1.00 1.26 C ATOM 764 O TYR A 198 1.371 5.428 -1.139 1.00 1.14 O ATOM 765 CB TYR A 198 4.306 6.872 -1.139 1.00 1.63 C ATOM 766 CG TYR A 198 5.595 7.423 -0.588 1.00 1.72 C ATOM 767 CD1 TYR A 198 5.854 8.778 -0.664 1.00 1.98 C ATOM 768 CD2 TYR A 198 6.562 6.596 -0.035 1.00 1.77 C ATOM 769 CE1 TYR A 198 7.040 9.304 -0.205 1.00 2.34 C ATOM 770 CE2 TYR A 198 7.753 7.113 0.438 1.00 2.18 C ATOM 771 CZ TYR A 198 7.989 8.469 0.347 1.00 2.48 C ATOM 772 OH TYR A 198 9.182 8.989 0.801 1.00 2.99 O ATOM 0 H TYR A 198 3.452 4.369 -0.367 1.00 1.15 H new ATOM 0 HA TYR A 198 3.322 7.081 0.774 1.00 1.34 H new ATOM 0 HB2 TYR A 198 4.539 6.024 -1.783 1.00 1.63 H new ATOM 0 HB3 TYR A 198 3.844 7.633 -1.768 1.00 1.63 H new ATOM 0 HD1 TYR A 198 5.112 9.436 -1.091 1.00 1.98 H new ATOM 0 HD2 TYR A 198 6.381 5.533 0.027 1.00 1.77 H new ATOM 0 HE1 TYR A 198 7.227 10.365 -0.277 1.00 2.34 H new ATOM 0 HE2 TYR A 198 8.494 6.460 0.876 1.00 2.18 H new ATOM 0 HH TYR A 198 9.738 8.267 1.161 1.00 2.99 H new ATOM 782 N ARG A 199 1.359 7.654 -0.865 1.00 1.43 N ATOM 783 CA ARG A 199 0.121 7.855 -1.604 1.00 1.48 C ATOM 784 C ARG A 199 0.208 9.137 -2.405 1.00 1.74 C ATOM 785 O ARG A 199 0.659 10.163 -1.905 1.00 1.91 O ATOM 786 CB ARG A 199 -1.094 7.882 -0.671 1.00 1.43 C ATOM 787 CG ARG A 199 -0.913 8.780 0.537 1.00 1.49 C ATOM 788 CD ARG A 199 -2.096 8.701 1.486 1.00 1.54 C ATOM 789 NE ARG A 199 -3.282 9.386 0.972 1.00 1.88 N ATOM 790 CZ ARG A 199 -3.822 10.461 1.546 1.00 2.06 C ATOM 791 NH1 ARG A 199 -3.254 11.012 2.614 1.00 2.20 N ATOM 792 NH2 ARG A 199 -4.940 10.980 1.059 1.00 2.64 N ATOM 0 H ARG A 199 1.749 8.505 -0.460 1.00 1.43 H new ATOM 0 HA ARG A 199 -0.012 7.014 -2.284 1.00 1.48 H new ATOM 0 HB2 ARG A 199 -1.966 8.216 -1.234 1.00 1.43 H new ATOM 0 HB3 ARG A 199 -1.303 6.868 -0.331 1.00 1.43 H new ATOM 0 HG2 ARG A 199 -0.004 8.496 1.067 1.00 1.49 H new ATOM 0 HG3 ARG A 199 -0.781 9.810 0.207 1.00 1.49 H new ATOM 0 HD2 ARG A 199 -2.338 7.654 1.671 1.00 1.54 H new ATOM 0 HD3 ARG A 199 -1.817 9.138 2.445 1.00 1.54 H new ATOM 0 HE ARG A 199 -3.720 9.020 0.127 1.00 1.88 H new ATOM 0 HH11 ARG A 199 -2.399 10.612 3.000 1.00 2.20 H new ATOM 0 HH12 ARG A 199 -3.673 11.835 3.047 1.00 2.20 H new ATOM 0 HH21 ARG A 199 -5.387 10.557 0.245 1.00 2.64 H new ATOM 0 HH22 ARG A 199 -5.354 11.803 1.498 1.00 2.64 H new ATOM 806 N ILE A 200 -0.204 9.070 -3.653 1.00 1.86 N ATOM 807 CA ILE A 200 -0.055 10.193 -4.556 1.00 2.14 C ATOM 808 C ILE A 200 -1.300 11.071 -4.540 1.00 2.23 C ATOM 809 O ILE A 200 -2.419 10.605 -4.777 1.00 2.21 O ATOM 810 CB ILE A 200 0.281 9.719 -5.997 1.00 2.31 C ATOM 811 CG1 ILE A 200 1.798 9.526 -6.180 1.00 2.35 C ATOM 812 CG2 ILE A 200 -0.234 10.707 -7.035 1.00 2.60 C ATOM 813 CD1 ILE A 200 2.500 8.833 -5.028 1.00 2.31 C ATOM 0 H ILE A 200 -0.645 8.249 -4.067 1.00 1.86 H new ATOM 0 HA ILE A 200 0.784 10.794 -4.206 1.00 2.14 H new ATOM 0 HB ILE A 200 -0.217 8.761 -6.144 1.00 2.31 H new ATOM 0 HG12 ILE A 200 1.969 8.949 -7.089 1.00 2.35 H new ATOM 0 HG13 ILE A 200 2.258 10.503 -6.331 1.00 2.35 H new ATOM 0 HG21 ILE A 200 0.016 10.349 -8.034 1.00 2.60 H new ATOM 0 HG22 ILE A 200 -1.316 10.800 -6.943 1.00 2.60 H new ATOM 0 HG23 ILE A 200 0.229 11.680 -6.872 1.00 2.60 H new ATOM 0 HD11 ILE A 200 3.563 8.744 -5.251 1.00 2.31 H new ATOM 0 HD12 ILE A 200 2.368 9.417 -4.117 1.00 2.31 H new ATOM 0 HD13 ILE A 200 2.074 7.840 -4.887 1.00 2.31 H new ATOM 825 N GLN A 201 -1.089 12.340 -4.224 1.00 2.38 N ATOM 826 CA GLN A 201 -2.156 13.320 -4.215 1.00 2.53 C ATOM 827 C GLN A 201 -2.055 14.155 -5.488 1.00 2.80 C ATOM 828 O GLN A 201 -1.723 13.612 -6.536 1.00 2.86 O ATOM 829 CB GLN A 201 -2.060 14.203 -2.964 1.00 2.58 C ATOM 830 CG GLN A 201 -3.398 14.776 -2.520 1.00 2.68 C ATOM 831 CD GLN A 201 -3.292 15.667 -1.297 1.00 2.82 C ATOM 832 OE1 GLN A 201 -4.201 15.700 -0.467 1.00 3.03 O ATOM 833 NE2 GLN A 201 -2.212 16.424 -1.192 1.00 3.22 N ATOM 0 H GLN A 201 -0.176 12.715 -3.968 1.00 2.38 H new ATOM 0 HA GLN A 201 -3.124 12.820 -4.187 1.00 2.53 H new ATOM 0 HB2 GLN A 201 -1.636 13.618 -2.148 1.00 2.58 H new ATOM 0 HB3 GLN A 201 -1.370 15.023 -3.160 1.00 2.58 H new ATOM 0 HG2 GLN A 201 -3.831 15.347 -3.341 1.00 2.68 H new ATOM 0 HG3 GLN A 201 -4.084 13.956 -2.306 1.00 2.68 H new ATOM 0 HE21 GLN A 201 -1.480 16.369 -1.900 1.00 3.22 H new ATOM 0 HE22 GLN A 201 -2.112 17.063 -0.403 1.00 3.22 H new ATOM 842 N ASP A 202 -2.306 15.458 -5.385 1.00 2.99 N ATOM 843 CA ASP A 202 -2.290 16.374 -6.535 1.00 3.26 C ATOM 844 C ASP A 202 -0.950 16.339 -7.271 1.00 3.36 C ATOM 845 O ASP A 202 -0.093 17.197 -7.054 1.00 3.48 O ATOM 846 CB ASP A 202 -2.535 17.796 -6.047 1.00 3.44 C ATOM 847 CG ASP A 202 -2.965 18.743 -7.152 1.00 3.72 C ATOM 848 OD1 ASP A 202 -2.147 19.063 -8.042 1.00 3.97 O ATOM 849 OD2 ASP A 202 -4.132 19.188 -7.125 1.00 4.02 O ATOM 0 H ASP A 202 -2.528 15.915 -4.500 1.00 2.99 H new ATOM 0 HA ASP A 202 -3.072 16.055 -7.224 1.00 3.26 H new ATOM 0 HB2 ASP A 202 -3.302 17.780 -5.273 1.00 3.44 H new ATOM 0 HB3 ASP A 202 -1.624 18.177 -5.586 1.00 3.44 H new ATOM 854 N GLY A 203 -0.769 15.339 -8.126 1.00 3.34 N ATOM 855 CA GLY A 203 0.482 15.162 -8.838 1.00 3.46 C ATOM 856 C GLY A 203 1.660 14.925 -7.907 1.00 3.33 C ATOM 857 O GLY A 203 2.802 14.842 -8.355 1.00 3.47 O ATOM 0 H GLY A 203 -1.478 14.638 -8.341 1.00 3.34 H new ATOM 0 HA2 GLY A 203 0.390 14.318 -9.522 1.00 3.46 H new ATOM 0 HA3 GLY A 203 0.677 16.045 -9.446 1.00 3.46 H new ATOM 861 N GLU A 204 1.383 14.788 -6.615 1.00 3.11 N ATOM 862 CA GLU A 204 2.439 14.742 -5.618 1.00 3.04 C ATOM 863 C GLU A 204 2.410 13.435 -4.843 1.00 2.75 C ATOM 864 O GLU A 204 1.570 12.576 -5.083 1.00 2.61 O ATOM 865 CB GLU A 204 2.275 15.905 -4.646 1.00 3.15 C ATOM 866 CG GLU A 204 1.071 15.743 -3.744 1.00 3.02 C ATOM 867 CD GLU A 204 0.895 16.888 -2.777 1.00 3.20 C ATOM 868 OE1 GLU A 204 -0.187 17.503 -2.776 1.00 3.45 O ATOM 869 OE2 GLU A 204 1.840 17.175 -2.010 1.00 3.48 O ATOM 0 H GLU A 204 0.439 14.707 -6.237 1.00 3.11 H new ATOM 0 HA GLU A 204 3.396 14.815 -6.135 1.00 3.04 H new ATOM 0 HB2 GLU A 204 3.173 15.993 -4.035 1.00 3.15 H new ATOM 0 HB3 GLU A 204 2.181 16.834 -5.209 1.00 3.15 H new ATOM 0 HG2 GLU A 204 0.175 15.653 -4.358 1.00 3.02 H new ATOM 0 HG3 GLU A 204 1.168 14.814 -3.183 1.00 3.02 H new ATOM 876 N LYS A 205 3.322 13.320 -3.896 1.00 2.71 N ATOM 877 CA LYS A 205 3.448 12.141 -3.061 1.00 2.46 C ATOM 878 C LYS A 205 3.344 12.513 -1.588 1.00 2.42 C ATOM 879 O LYS A 205 3.839 13.555 -1.158 1.00 2.62 O ATOM 880 CB LYS A 205 4.794 11.462 -3.303 1.00 2.49 C ATOM 881 CG LYS A 205 5.001 10.992 -4.727 1.00 2.61 C ATOM 882 CD LYS A 205 6.412 10.487 -4.954 1.00 2.75 C ATOM 883 CE LYS A 205 6.840 9.511 -3.868 1.00 2.53 C ATOM 884 NZ LYS A 205 7.982 8.659 -4.302 1.00 2.70 N ATOM 0 H LYS A 205 4.002 14.049 -3.683 1.00 2.71 H new ATOM 0 HA LYS A 205 2.639 11.459 -3.321 1.00 2.46 H new ATOM 0 HB2 LYS A 205 5.592 12.157 -3.041 1.00 2.49 H new ATOM 0 HB3 LYS A 205 4.883 10.607 -2.633 1.00 2.49 H new ATOM 0 HG2 LYS A 205 4.290 10.198 -4.955 1.00 2.61 H new ATOM 0 HG3 LYS A 205 4.794 11.812 -5.414 1.00 2.61 H new ATOM 0 HD2 LYS A 205 6.472 9.999 -5.927 1.00 2.75 H new ATOM 0 HD3 LYS A 205 7.102 11.331 -4.978 1.00 2.75 H new ATOM 0 HE2 LYS A 205 7.121 10.065 -2.973 1.00 2.53 H new ATOM 0 HE3 LYS A 205 5.996 8.876 -3.598 1.00 2.53 H new ATOM 0 HZ1 LYS A 205 7.967 7.763 -3.775 1.00 2.70 H new ATOM 0 HZ2 LYS A 205 7.902 8.463 -5.320 1.00 2.70 H new ATOM 0 HZ3 LYS A 205 8.876 9.156 -4.115 1.00 2.70 H new ATOM 898 N LYS A 206 2.691 11.655 -0.833 1.00 2.19 N ATOM 899 CA LYS A 206 2.602 11.790 0.613 1.00 2.19 C ATOM 900 C LYS A 206 3.063 10.487 1.256 1.00 2.01 C ATOM 901 O LYS A 206 2.499 9.428 0.978 1.00 1.82 O ATOM 902 CB LYS A 206 1.162 12.083 1.060 1.00 2.17 C ATOM 903 CG LYS A 206 0.549 13.346 0.474 1.00 2.38 C ATOM 904 CD LYS A 206 1.326 14.595 0.860 1.00 2.68 C ATOM 905 CE LYS A 206 0.517 15.851 0.579 1.00 2.93 C ATOM 906 NZ LYS A 206 1.331 17.087 0.700 1.00 3.25 N ATOM 0 H LYS A 206 2.203 10.839 -1.203 1.00 2.19 H new ATOM 0 HA LYS A 206 3.234 12.623 0.922 1.00 2.19 H new ATOM 0 HB2 LYS A 206 0.534 11.234 0.790 1.00 2.17 H new ATOM 0 HB3 LYS A 206 1.144 12.160 2.147 1.00 2.17 H new ATOM 0 HG2 LYS A 206 0.517 13.262 -0.612 1.00 2.38 H new ATOM 0 HG3 LYS A 206 -0.481 13.441 0.817 1.00 2.38 H new ATOM 0 HD2 LYS A 206 1.584 14.554 1.918 1.00 2.68 H new ATOM 0 HD3 LYS A 206 2.263 14.630 0.304 1.00 2.68 H new ATOM 0 HE2 LYS A 206 0.097 15.792 -0.425 1.00 2.93 H new ATOM 0 HE3 LYS A 206 -0.322 15.902 1.273 1.00 2.93 H new ATOM 0 HZ1 LYS A 206 0.739 17.858 1.070 1.00 3.25 H new ATOM 0 HZ2 LYS A 206 2.125 16.918 1.350 1.00 3.25 H new ATOM 0 HZ3 LYS A 206 1.700 17.352 -0.235 1.00 3.25 H new ATOM 920 N PRO A 207 4.104 10.530 2.093 1.00 2.11 N ATOM 921 CA PRO A 207 4.601 9.338 2.768 1.00 2.00 C ATOM 922 C PRO A 207 3.711 8.921 3.928 1.00 1.97 C ATOM 923 O PRO A 207 3.345 9.731 4.785 1.00 2.17 O ATOM 924 CB PRO A 207 5.981 9.751 3.251 1.00 2.22 C ATOM 925 CG PRO A 207 5.900 11.229 3.434 1.00 2.47 C ATOM 926 CD PRO A 207 4.883 11.733 2.438 1.00 2.38 C ATOM 0 HA PRO A 207 4.620 8.469 2.110 1.00 2.00 H new ATOM 0 HB2 PRO A 207 6.238 9.251 4.185 1.00 2.22 H new ATOM 0 HB3 PRO A 207 6.749 9.485 2.525 1.00 2.22 H new ATOM 0 HG2 PRO A 207 5.601 11.477 4.452 1.00 2.47 H new ATOM 0 HG3 PRO A 207 6.871 11.694 3.265 1.00 2.47 H new ATOM 0 HD2 PRO A 207 4.251 12.509 2.869 1.00 2.38 H new ATOM 0 HD3 PRO A 207 5.363 12.165 1.560 1.00 2.38 H new ATOM 934 N ILE A 208 3.373 7.651 3.949 1.00 1.77 N ATOM 935 CA ILE A 208 2.424 7.120 4.907 1.00 1.77 C ATOM 936 C ILE A 208 3.130 6.433 6.070 1.00 1.91 C ATOM 937 O ILE A 208 4.284 6.020 5.957 1.00 1.91 O ATOM 938 CB ILE A 208 1.492 6.124 4.195 1.00 1.50 C ATOM 939 CG1 ILE A 208 0.743 6.836 3.076 1.00 1.41 C ATOM 940 CG2 ILE A 208 0.513 5.490 5.167 1.00 1.59 C ATOM 941 CD1 ILE A 208 0.126 5.895 2.077 1.00 1.18 C ATOM 0 H ILE A 208 3.747 6.956 3.303 1.00 1.77 H new ATOM 0 HA ILE A 208 1.844 7.948 5.315 1.00 1.77 H new ATOM 0 HB ILE A 208 2.101 5.325 3.773 1.00 1.50 H new ATOM 0 HG12 ILE A 208 -0.040 7.457 3.511 1.00 1.41 H new ATOM 0 HG13 ILE A 208 1.430 7.505 2.558 1.00 1.41 H new ATOM 0 HG21 ILE A 208 -0.131 4.792 4.632 1.00 1.59 H new ATOM 0 HG22 ILE A 208 1.064 4.956 5.941 1.00 1.59 H new ATOM 0 HG23 ILE A 208 -0.098 6.267 5.627 1.00 1.59 H new ATOM 0 HD11 ILE A 208 -0.391 6.469 1.308 1.00 1.18 H new ATOM 0 HD12 ILE A 208 0.907 5.291 1.615 1.00 1.18 H new ATOM 0 HD13 ILE A 208 -0.585 5.242 2.583 1.00 1.18 H new ATOM 953 N GLY A 209 2.427 6.334 7.188 1.00 2.07 N ATOM 954 CA GLY A 209 2.930 5.607 8.327 1.00 2.25 C ATOM 955 C GLY A 209 2.343 4.217 8.357 1.00 2.13 C ATOM 956 O GLY A 209 1.198 4.017 7.951 1.00 2.01 O ATOM 0 H GLY A 209 1.506 6.751 7.324 1.00 2.07 H new ATOM 0 HA2 GLY A 209 4.017 5.550 8.280 1.00 2.25 H new ATOM 0 HA3 GLY A 209 2.678 6.136 9.246 1.00 2.25 H new ATOM 960 N TRP A 210 3.098 3.252 8.843 1.00 2.20 N ATOM 961 CA TRP A 210 2.662 1.865 8.791 1.00 2.11 C ATOM 962 C TRP A 210 1.494 1.595 9.737 1.00 2.30 C ATOM 963 O TRP A 210 0.828 0.567 9.629 1.00 2.25 O ATOM 964 CB TRP A 210 3.829 0.919 9.080 1.00 2.18 C ATOM 965 CG TRP A 210 4.812 0.851 7.948 1.00 1.97 C ATOM 966 CD1 TRP A 210 5.928 1.617 7.780 1.00 2.05 C ATOM 967 CD2 TRP A 210 4.751 -0.024 6.817 1.00 1.69 C ATOM 968 NE1 TRP A 210 6.568 1.267 6.615 1.00 1.86 N ATOM 969 CE2 TRP A 210 5.864 0.262 6.006 1.00 1.62 C ATOM 970 CE3 TRP A 210 3.866 -1.024 6.413 1.00 1.54 C ATOM 971 CZ2 TRP A 210 6.110 -0.417 4.814 1.00 1.40 C ATOM 972 CZ3 TRP A 210 4.110 -1.695 5.231 1.00 1.31 C ATOM 973 CH2 TRP A 210 5.226 -1.390 4.443 1.00 1.24 C ATOM 0 H TRP A 210 4.010 3.397 9.276 1.00 2.20 H new ATOM 0 HA TRP A 210 2.305 1.675 7.779 1.00 2.11 H new ATOM 0 HB2 TRP A 210 4.343 1.248 9.983 1.00 2.18 H new ATOM 0 HB3 TRP A 210 3.441 -0.080 9.280 1.00 2.18 H new ATOM 0 HD1 TRP A 210 6.260 2.386 8.462 1.00 2.05 H new ATOM 0 HE1 TRP A 210 7.427 1.687 6.261 1.00 1.86 H new ATOM 0 HE3 TRP A 210 3.004 -1.269 7.015 1.00 1.54 H new ATOM 0 HZ2 TRP A 210 6.970 -0.182 4.205 1.00 1.40 H new ATOM 0 HZ3 TRP A 210 3.428 -2.468 4.909 1.00 1.31 H new ATOM 0 HH2 TRP A 210 5.391 -1.934 3.525 1.00 1.24 H new ATOM 984 N ASP A 211 1.232 2.531 10.639 1.00 2.54 N ATOM 985 CA ASP A 211 0.149 2.402 11.582 1.00 2.76 C ATOM 986 C ASP A 211 -1.073 3.174 11.104 1.00 2.71 C ATOM 987 O ASP A 211 -2.056 3.318 11.832 1.00 2.92 O ATOM 988 CB ASP A 211 0.588 2.929 12.937 1.00 3.09 C ATOM 989 CG ASP A 211 0.975 4.392 12.903 1.00 3.39 C ATOM 990 OD1 ASP A 211 2.161 4.692 12.653 1.00 3.79 O ATOM 991 OD2 ASP A 211 0.098 5.252 13.129 1.00 3.79 O ATOM 0 H ASP A 211 1.767 3.395 10.731 1.00 2.54 H new ATOM 0 HA ASP A 211 -0.116 1.348 11.667 1.00 2.76 H new ATOM 0 HB2 ASP A 211 -0.220 2.789 13.655 1.00 3.09 H new ATOM 0 HB3 ASP A 211 1.435 2.342 13.292 1.00 3.09 H new ATOM 996 N THR A 212 -1.007 3.665 9.880 1.00 2.44 N ATOM 997 CA THR A 212 -2.095 4.430 9.305 1.00 2.39 C ATOM 998 C THR A 212 -3.225 3.502 8.874 1.00 2.29 C ATOM 999 O THR A 212 -2.990 2.499 8.203 1.00 2.10 O ATOM 1000 CB THR A 212 -1.597 5.261 8.104 1.00 2.18 C ATOM 1001 OG1 THR A 212 -0.667 6.254 8.557 1.00 2.33 O ATOM 1002 CG2 THR A 212 -2.749 5.934 7.368 1.00 2.12 C ATOM 0 H THR A 212 -0.204 3.546 9.262 1.00 2.44 H new ATOM 0 HA THR A 212 -2.475 5.114 10.064 1.00 2.39 H new ATOM 0 HB THR A 212 -1.106 4.582 7.407 1.00 2.18 H new ATOM 0 HG1 THR A 212 0.237 5.875 8.569 1.00 2.33 H new ATOM 0 HG21 THR A 212 -2.358 6.510 6.529 1.00 2.12 H new ATOM 0 HG22 THR A 212 -3.437 5.174 6.997 1.00 2.12 H new ATOM 0 HG23 THR A 212 -3.277 6.600 8.050 1.00 2.12 H new ATOM 1010 N ASP A 213 -4.440 3.822 9.304 1.00 2.46 N ATOM 1011 CA ASP A 213 -5.616 3.045 8.933 1.00 2.43 C ATOM 1012 C ASP A 213 -5.849 3.121 7.432 1.00 2.14 C ATOM 1013 O ASP A 213 -6.225 4.169 6.903 1.00 2.12 O ATOM 1014 CB ASP A 213 -6.858 3.548 9.676 1.00 2.70 C ATOM 1015 CG ASP A 213 -6.810 3.266 11.163 1.00 3.00 C ATOM 1016 OD1 ASP A 213 -7.506 2.335 11.619 1.00 3.38 O ATOM 1017 OD2 ASP A 213 -6.079 3.976 11.892 1.00 3.47 O ATOM 0 H ASP A 213 -4.636 4.617 9.912 1.00 2.46 H new ATOM 0 HA ASP A 213 -5.437 2.007 9.215 1.00 2.43 H new ATOM 0 HB2 ASP A 213 -6.960 4.622 9.518 1.00 2.70 H new ATOM 0 HB3 ASP A 213 -7.745 3.078 9.251 1.00 2.70 H new ATOM 1022 N ILE A 214 -5.630 2.001 6.753 1.00 1.95 N ATOM 1023 CA ILE A 214 -5.770 1.929 5.301 1.00 1.68 C ATOM 1024 C ILE A 214 -7.209 2.225 4.870 1.00 1.75 C ATOM 1025 O ILE A 214 -7.471 2.583 3.720 1.00 1.61 O ATOM 1026 CB ILE A 214 -5.307 0.550 4.761 1.00 1.51 C ATOM 1027 CG1 ILE A 214 -5.615 0.410 3.261 1.00 1.27 C ATOM 1028 CG2 ILE A 214 -5.938 -0.580 5.556 1.00 1.71 C ATOM 1029 CD1 ILE A 214 -5.311 -0.957 2.698 1.00 1.17 C ATOM 0 H ILE A 214 -5.352 1.122 7.189 1.00 1.95 H new ATOM 0 HA ILE A 214 -5.124 2.694 4.869 1.00 1.68 H new ATOM 0 HB ILE A 214 -4.226 0.486 4.884 1.00 1.51 H new ATOM 0 HG12 ILE A 214 -6.668 0.635 3.094 1.00 1.27 H new ATOM 0 HG13 ILE A 214 -5.039 1.155 2.711 1.00 1.27 H new ATOM 0 HG21 ILE A 214 -5.599 -1.537 5.160 1.00 1.71 H new ATOM 0 HG22 ILE A 214 -5.645 -0.496 6.603 1.00 1.71 H new ATOM 0 HG23 ILE A 214 -7.023 -0.518 5.477 1.00 1.71 H new ATOM 0 HD11 ILE A 214 -5.555 -0.975 1.636 1.00 1.17 H new ATOM 0 HD12 ILE A 214 -4.252 -1.178 2.831 1.00 1.17 H new ATOM 0 HD13 ILE A 214 -5.906 -1.706 3.220 1.00 1.17 H new ATOM 1041 N SER A 215 -8.131 2.133 5.817 1.00 2.01 N ATOM 1042 CA SER A 215 -9.537 2.355 5.543 1.00 2.14 C ATOM 1043 C SER A 215 -9.828 3.808 5.152 1.00 2.17 C ATOM 1044 O SER A 215 -10.887 4.109 4.599 1.00 2.27 O ATOM 1045 CB SER A 215 -10.363 1.958 6.760 1.00 2.43 C ATOM 1046 OG SER A 215 -9.783 2.465 7.953 1.00 2.91 O ATOM 0 H SER A 215 -7.925 1.904 6.789 1.00 2.01 H new ATOM 0 HA SER A 215 -9.814 1.734 4.691 1.00 2.14 H new ATOM 0 HB2 SER A 215 -11.379 2.338 6.655 1.00 2.43 H new ATOM 0 HB3 SER A 215 -10.434 0.872 6.818 1.00 2.43 H new ATOM 0 HG SER A 215 -10.488 2.638 8.612 1.00 2.91 H new ATOM 1052 N TRP A 216 -8.892 4.708 5.431 1.00 2.14 N ATOM 1053 CA TRP A 216 -9.081 6.112 5.098 1.00 2.20 C ATOM 1054 C TRP A 216 -8.644 6.389 3.667 1.00 1.97 C ATOM 1055 O TRP A 216 -9.201 7.255 2.994 1.00 2.05 O ATOM 1056 CB TRP A 216 -8.300 7.011 6.058 1.00 2.34 C ATOM 1057 CG TRP A 216 -8.750 6.909 7.482 1.00 2.73 C ATOM 1058 CD1 TRP A 216 -10.019 6.672 7.930 1.00 3.17 C ATOM 1059 CD2 TRP A 216 -7.936 7.063 8.647 1.00 3.19 C ATOM 1060 NE1 TRP A 216 -10.037 6.655 9.303 1.00 3.82 N ATOM 1061 CE2 TRP A 216 -8.772 6.898 9.767 1.00 3.89 C ATOM 1062 CE3 TRP A 216 -6.578 7.322 8.853 1.00 3.35 C ATOM 1063 CZ2 TRP A 216 -8.296 6.982 11.071 1.00 4.68 C ATOM 1064 CZ3 TRP A 216 -6.107 7.407 10.148 1.00 4.17 C ATOM 1065 CH2 TRP A 216 -6.963 7.238 11.243 1.00 4.80 C ATOM 0 H TRP A 216 -8.003 4.492 5.883 1.00 2.14 H new ATOM 0 HA TRP A 216 -10.144 6.335 5.194 1.00 2.20 H new ATOM 0 HB2 TRP A 216 -7.242 6.754 6.002 1.00 2.34 H new ATOM 0 HB3 TRP A 216 -8.395 8.046 5.730 1.00 2.34 H new ATOM 0 HD1 TRP A 216 -10.881 6.520 7.297 1.00 3.17 H new ATOM 0 HE1 TRP A 216 -10.859 6.488 9.883 1.00 3.82 H new ATOM 0 HE3 TRP A 216 -5.910 7.453 8.015 1.00 3.35 H new ATOM 0 HZ2 TRP A 216 -8.954 6.850 11.917 1.00 4.68 H new ATOM 0 HZ3 TRP A 216 -5.060 7.607 10.319 1.00 4.17 H new ATOM 0 HH2 TRP A 216 -6.563 7.311 12.244 1.00 4.80 H new ATOM 1076 N LEU A 217 -7.653 5.639 3.201 1.00 1.74 N ATOM 1077 CA LEU A 217 -7.079 5.866 1.891 1.00 1.56 C ATOM 1078 C LEU A 217 -7.850 5.127 0.799 1.00 1.52 C ATOM 1079 O LEU A 217 -7.351 4.966 -0.316 1.00 1.41 O ATOM 1080 CB LEU A 217 -5.607 5.443 1.876 1.00 1.37 C ATOM 1081 CG LEU A 217 -4.724 6.040 2.975 1.00 1.49 C ATOM 1082 CD1 LEU A 217 -5.044 7.502 3.160 1.00 2.13 C ATOM 1083 CD2 LEU A 217 -4.849 5.285 4.288 1.00 1.78 C ATOM 0 H LEU A 217 -7.232 4.866 3.717 1.00 1.74 H new ATOM 0 HA LEU A 217 -7.149 6.933 1.682 1.00 1.56 H new ATOM 0 HB2 LEU A 217 -5.561 4.357 1.951 1.00 1.37 H new ATOM 0 HB3 LEU A 217 -5.182 5.714 0.909 1.00 1.37 H new ATOM 0 HG LEU A 217 -3.687 5.941 2.655 1.00 1.49 H new ATOM 0 HD11 LEU A 217 -4.410 7.917 3.944 1.00 2.13 H new ATOM 0 HD12 LEU A 217 -4.863 8.035 2.227 1.00 2.13 H new ATOM 0 HD13 LEU A 217 -6.091 7.612 3.443 1.00 2.13 H new ATOM 0 HD21 LEU A 217 -4.204 5.746 5.036 1.00 1.78 H new ATOM 0 HD22 LEU A 217 -5.883 5.319 4.630 1.00 1.78 H new ATOM 0 HD23 LEU A 217 -4.550 4.247 4.141 1.00 1.78 H new ATOM 1095 N THR A 218 -9.055 4.666 1.119 1.00 1.67 N ATOM 1096 CA THR A 218 -9.931 4.087 0.113 1.00 1.73 C ATOM 1097 C THR A 218 -10.178 5.084 -1.017 1.00 1.80 C ATOM 1098 O THR A 218 -10.156 6.300 -0.806 1.00 1.87 O ATOM 1099 CB THR A 218 -11.290 3.696 0.700 1.00 1.96 C ATOM 1100 OG1 THR A 218 -11.131 3.197 2.034 1.00 2.01 O ATOM 1101 CG2 THR A 218 -11.959 2.640 -0.164 1.00 2.03 C ATOM 0 H THR A 218 -9.443 4.683 2.062 1.00 1.67 H new ATOM 0 HA THR A 218 -9.430 3.195 -0.263 1.00 1.73 H new ATOM 0 HB THR A 218 -11.920 4.585 0.724 1.00 1.96 H new ATOM 0 HG1 THR A 218 -11.183 3.941 2.670 1.00 2.01 H new ATOM 0 HG21 THR A 218 -12.924 2.374 0.268 1.00 2.03 H new ATOM 0 HG22 THR A 218 -12.108 3.033 -1.170 1.00 2.03 H new ATOM 0 HG23 THR A 218 -11.326 1.754 -0.211 1.00 2.03 H new ATOM 1109 N GLY A 219 -10.431 4.565 -2.203 1.00 1.85 N ATOM 1110 CA GLY A 219 -10.663 5.412 -3.356 1.00 2.01 C ATOM 1111 C GLY A 219 -9.382 5.967 -3.950 1.00 1.92 C ATOM 1112 O GLY A 219 -9.417 6.688 -4.948 1.00 2.12 O ATOM 0 H GLY A 219 -10.481 3.564 -2.393 1.00 1.85 H new ATOM 0 HA2 GLY A 219 -11.193 4.841 -4.118 1.00 2.01 H new ATOM 0 HA3 GLY A 219 -11.312 6.239 -3.068 1.00 2.01 H new ATOM 1116 N GLU A 220 -8.254 5.642 -3.339 1.00 1.70 N ATOM 1117 CA GLU A 220 -6.967 6.132 -3.802 1.00 1.64 C ATOM 1118 C GLU A 220 -6.094 4.994 -4.288 1.00 1.53 C ATOM 1119 O GLU A 220 -6.386 3.819 -4.044 1.00 1.46 O ATOM 1120 CB GLU A 220 -6.245 6.883 -2.685 1.00 1.55 C ATOM 1121 CG GLU A 220 -6.970 8.136 -2.245 1.00 1.91 C ATOM 1122 CD GLU A 220 -6.167 8.973 -1.271 1.00 2.14 C ATOM 1123 OE1 GLU A 220 -4.920 8.882 -1.274 1.00 2.60 O ATOM 1124 OE2 GLU A 220 -6.779 9.760 -0.521 1.00 2.61 O ATOM 0 H GLU A 220 -8.205 5.039 -2.518 1.00 1.70 H new ATOM 0 HA GLU A 220 -7.153 6.812 -4.633 1.00 1.64 H new ATOM 0 HB2 GLU A 220 -6.126 6.220 -1.828 1.00 1.55 H new ATOM 0 HB3 GLU A 220 -5.244 7.150 -3.023 1.00 1.55 H new ATOM 0 HG2 GLU A 220 -7.209 8.738 -3.122 1.00 1.91 H new ATOM 0 HG3 GLU A 220 -7.917 7.858 -1.782 1.00 1.91 H new ATOM 1131 N GLU A 221 -5.037 5.344 -4.997 1.00 1.59 N ATOM 1132 CA GLU A 221 -4.034 4.375 -5.379 1.00 1.54 C ATOM 1133 C GLU A 221 -2.730 4.691 -4.666 1.00 1.38 C ATOM 1134 O GLU A 221 -2.206 5.806 -4.754 1.00 1.49 O ATOM 1135 CB GLU A 221 -3.826 4.336 -6.894 1.00 1.83 C ATOM 1136 CG GLU A 221 -5.047 3.861 -7.663 1.00 2.05 C ATOM 1137 CD GLU A 221 -6.029 4.972 -7.979 1.00 2.55 C ATOM 1138 OE1 GLU A 221 -5.652 5.919 -8.699 1.00 3.04 O ATOM 1139 OE2 GLU A 221 -7.194 4.884 -7.538 1.00 3.06 O ATOM 0 H GLU A 221 -4.853 6.294 -5.319 1.00 1.59 H new ATOM 0 HA GLU A 221 -4.383 3.386 -5.081 1.00 1.54 H new ATOM 0 HB2 GLU A 221 -3.554 5.333 -7.241 1.00 1.83 H new ATOM 0 HB3 GLU A 221 -2.986 3.679 -7.120 1.00 1.83 H new ATOM 0 HG2 GLU A 221 -4.723 3.397 -8.594 1.00 2.05 H new ATOM 0 HG3 GLU A 221 -5.555 3.091 -7.083 1.00 2.05 H new ATOM 1146 N LEU A 222 -2.217 3.707 -3.957 1.00 1.15 N ATOM 1147 CA LEU A 222 -1.019 3.890 -3.154 1.00 1.01 C ATOM 1148 C LEU A 222 0.208 3.436 -3.922 1.00 1.13 C ATOM 1149 O LEU A 222 0.095 2.811 -4.973 1.00 1.30 O ATOM 1150 CB LEU A 222 -1.135 3.119 -1.834 1.00 0.74 C ATOM 1151 CG LEU A 222 -1.660 3.918 -0.633 1.00 0.82 C ATOM 1152 CD1 LEU A 222 -2.933 4.674 -0.985 1.00 1.27 C ATOM 1153 CD2 LEU A 222 -1.907 2.983 0.540 1.00 1.24 C ATOM 0 H LEU A 222 -2.611 2.767 -3.919 1.00 1.15 H new ATOM 0 HA LEU A 222 -0.915 4.951 -2.928 1.00 1.01 H new ATOM 0 HB2 LEU A 222 -1.792 2.264 -1.992 1.00 0.74 H new ATOM 0 HB3 LEU A 222 -0.152 2.723 -1.580 1.00 0.74 H new ATOM 0 HG LEU A 222 -0.904 4.653 -0.355 1.00 0.82 H new ATOM 0 HD11 LEU A 222 -3.279 5.230 -0.113 1.00 1.27 H new ATOM 0 HD12 LEU A 222 -2.730 5.368 -1.801 1.00 1.27 H new ATOM 0 HD13 LEU A 222 -3.703 3.967 -1.293 1.00 1.27 H new ATOM 0 HD21 LEU A 222 -2.279 3.556 1.389 1.00 1.24 H new ATOM 0 HD22 LEU A 222 -2.644 2.232 0.257 1.00 1.24 H new ATOM 0 HD23 LEU A 222 -0.974 2.490 0.815 1.00 1.24 H new ATOM 1165 N HIS A 223 1.377 3.774 -3.410 1.00 1.13 N ATOM 1166 CA HIS A 223 2.636 3.390 -4.033 1.00 1.30 C ATOM 1167 C HIS A 223 3.628 2.991 -2.955 1.00 1.19 C ATOM 1168 O HIS A 223 3.816 3.722 -1.992 1.00 1.19 O ATOM 1169 CB HIS A 223 3.222 4.548 -4.850 1.00 1.64 C ATOM 1170 CG HIS A 223 2.438 4.899 -6.076 1.00 1.93 C ATOM 1171 ND1 HIS A 223 2.718 4.378 -7.316 1.00 2.62 N ATOM 1172 CD2 HIS A 223 1.385 5.733 -6.251 1.00 2.09 C ATOM 1173 CE1 HIS A 223 1.874 4.872 -8.202 1.00 3.31 C ATOM 1174 NE2 HIS A 223 1.053 5.695 -7.581 1.00 2.97 N ATOM 0 H HIS A 223 1.484 4.320 -2.555 1.00 1.13 H new ATOM 0 HA HIS A 223 2.447 2.552 -4.704 1.00 1.30 H new ATOM 0 HB2 HIS A 223 3.289 5.429 -4.212 1.00 1.64 H new ATOM 0 HB3 HIS A 223 4.239 4.290 -5.145 1.00 1.64 H new ATOM 0 HD2 HIS A 223 0.898 6.319 -5.486 1.00 2.09 H new ATOM 0 HE1 HIS A 223 1.859 4.641 -9.257 1.00 3.31 H new ATOM 0 HE2 HIS A 223 0.294 6.218 -8.018 1.00 2.97 H new ATOM 1183 N VAL A 224 4.246 1.837 -3.098 1.00 1.19 N ATOM 1184 CA VAL A 224 5.240 1.400 -2.134 1.00 1.14 C ATOM 1185 C VAL A 224 6.639 1.559 -2.707 1.00 1.40 C ATOM 1186 O VAL A 224 6.901 1.218 -3.862 1.00 1.58 O ATOM 1187 CB VAL A 224 5.013 -0.063 -1.688 1.00 1.02 C ATOM 1188 CG1 VAL A 224 6.096 -0.526 -0.714 1.00 1.23 C ATOM 1189 CG2 VAL A 224 3.654 -0.206 -1.044 1.00 1.10 C ATOM 0 H VAL A 224 4.081 1.187 -3.866 1.00 1.19 H new ATOM 0 HA VAL A 224 5.136 2.033 -1.253 1.00 1.14 H new ATOM 0 HB VAL A 224 5.064 -0.692 -2.577 1.00 1.02 H new ATOM 0 HG11 VAL A 224 5.905 -1.558 -0.421 1.00 1.23 H new ATOM 0 HG12 VAL A 224 7.071 -0.460 -1.196 1.00 1.23 H new ATOM 0 HG13 VAL A 224 6.085 0.110 0.171 1.00 1.23 H new ATOM 0 HG21 VAL A 224 3.505 -1.240 -0.734 1.00 1.10 H new ATOM 0 HG22 VAL A 224 3.594 0.446 -0.173 1.00 1.10 H new ATOM 0 HG23 VAL A 224 2.881 0.073 -1.760 1.00 1.10 H new ATOM 1199 N GLU A 225 7.526 2.063 -1.876 1.00 1.47 N ATOM 1200 CA GLU A 225 8.903 2.296 -2.244 1.00 1.74 C ATOM 1201 C GLU A 225 9.749 1.257 -1.543 1.00 1.75 C ATOM 1202 O GLU A 225 9.247 0.508 -0.716 1.00 1.70 O ATOM 1203 CB GLU A 225 9.346 3.682 -1.780 1.00 1.91 C ATOM 1204 CG GLU A 225 8.377 4.792 -2.130 1.00 1.95 C ATOM 1205 CD GLU A 225 8.341 5.120 -3.609 1.00 2.31 C ATOM 1206 OE1 GLU A 225 9.145 5.972 -4.045 1.00 2.72 O ATOM 1207 OE2 GLU A 225 7.501 4.558 -4.338 1.00 2.74 O ATOM 0 H GLU A 225 7.307 2.325 -0.915 1.00 1.47 H new ATOM 0 HA GLU A 225 9.013 2.233 -3.327 1.00 1.74 H new ATOM 0 HB2 GLU A 225 9.485 3.664 -0.699 1.00 1.91 H new ATOM 0 HB3 GLU A 225 10.316 3.908 -2.223 1.00 1.91 H new ATOM 0 HG2 GLU A 225 7.377 4.506 -1.805 1.00 1.95 H new ATOM 0 HG3 GLU A 225 8.648 5.689 -1.574 1.00 1.95 H new ATOM 1214 N VAL A 226 11.007 1.181 -1.882 1.00 1.95 N ATOM 1215 CA VAL A 226 11.931 0.360 -1.128 1.00 2.02 C ATOM 1216 C VAL A 226 12.970 1.247 -0.467 1.00 2.19 C ATOM 1217 O VAL A 226 13.562 2.109 -1.120 1.00 2.37 O ATOM 1218 CB VAL A 226 12.614 -0.698 -1.998 1.00 2.21 C ATOM 1219 CG1 VAL A 226 13.578 -1.548 -1.181 1.00 2.61 C ATOM 1220 CG2 VAL A 226 11.577 -1.573 -2.670 1.00 2.56 C ATOM 0 H VAL A 226 11.421 1.674 -2.673 1.00 1.95 H new ATOM 0 HA VAL A 226 11.359 -0.174 -0.369 1.00 2.02 H new ATOM 0 HB VAL A 226 13.192 -0.182 -2.765 1.00 2.21 H new ATOM 0 HG11 VAL A 226 14.047 -2.290 -1.828 1.00 2.61 H new ATOM 0 HG12 VAL A 226 14.346 -0.909 -0.745 1.00 2.61 H new ATOM 0 HG13 VAL A 226 13.032 -2.054 -0.385 1.00 2.61 H new ATOM 0 HG21 VAL A 226 12.076 -2.321 -3.286 1.00 2.56 H new ATOM 0 HG22 VAL A 226 10.974 -2.071 -1.911 1.00 2.56 H new ATOM 0 HG23 VAL A 226 10.933 -0.957 -3.298 1.00 2.56 H new