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 201 GLN : amide:sc= -0.326 K(o=0.77,f=-11!) USER MOD Set 1.2: A 206 LYS NZ :NH3+ 167:sc= 1.1 (180deg=-0.0952) USER MOD Set 2.1: A 167 THR OG1 : rot 140:sc=-0.00139 USER MOD Set 2.2: A 187 MET CE :methyl -130:sc=-0.00601 (180deg=-0.0339) USER MOD Single : A 163 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -1.21 K(o=-1.2,f=-6!) USER MOD Single : A 173 CYS SG : rot 35:sc= 0.113 USER MOD Single : A 176 THR OG1 : rot -160:sc= -1.34 USER MOD Single : A 180 SER OG : rot -90:sc= 0.817 USER MOD Single : A 182 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.14) USER MOD Single : A 183 LYS NZ :NH3+ -147:sc= -0.691 (180deg=-2.11!) USER MOD Single : A 186 MET CE :methyl 172:sc= -1.78 (180deg=-2.08) USER MOD Single : A 194 CYS SG : rot 180:sc= 0 USER MOD Single : A 195 CYS SG : rot 104:sc= 1.21 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 LYS NZ :NH3+ -138:sc= 1.23 (180deg=0.484) USER MOD Single : A 212 THR OG1 : rot 95:sc= 0.00237 USER MOD Single : A 215 SER OG : rot -54:sc= -0.46 USER MOD Single : A 218 THR OG1 : rot 89:sc= 0.834 USER MOD Single : A 223 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 155 -14.857 -1.846 -0.651 1.00 2.57 N ATOM 66 CA PRO A 155 -13.789 -0.858 -0.651 1.00 2.35 C ATOM 67 C PRO A 155 -12.410 -1.502 -0.831 1.00 2.15 C ATOM 68 O PRO A 155 -12.100 -2.506 -0.188 1.00 2.14 O ATOM 69 CB PRO A 155 -13.934 -0.251 0.738 1.00 2.38 C ATOM 70 CG PRO A 155 -14.359 -1.390 1.598 1.00 2.54 C ATOM 71 CD PRO A 155 -15.155 -2.313 0.712 1.00 2.69 C ATOM 0 HA PRO A 155 -13.861 -0.139 -1.467 1.00 2.35 H new ATOM 0 HB2 PRO A 155 -12.994 0.179 1.084 1.00 2.38 H new ATOM 0 HB3 PRO A 155 -14.673 0.550 0.746 1.00 2.38 H new ATOM 0 HG2 PRO A 155 -13.494 -1.904 2.018 1.00 2.54 H new ATOM 0 HG3 PRO A 155 -14.961 -1.041 2.437 1.00 2.54 H new ATOM 0 HD2 PRO A 155 -14.859 -3.353 0.851 1.00 2.69 H new ATOM 0 HD3 PRO A 155 -16.221 -2.253 0.930 1.00 2.69 H new ATOM 79 N ILE A 156 -11.586 -0.935 -1.700 1.00 2.02 N ATOM 80 CA ILE A 156 -10.228 -1.433 -1.908 1.00 1.83 C ATOM 81 C ILE A 156 -9.247 -0.284 -2.071 1.00 1.65 C ATOM 82 O ILE A 156 -9.641 0.850 -2.342 1.00 1.71 O ATOM 83 CB ILE A 156 -10.119 -2.371 -3.138 1.00 1.96 C ATOM 84 CG1 ILE A 156 -10.825 -1.797 -4.371 1.00 2.15 C ATOM 85 CG2 ILE A 156 -10.664 -3.748 -2.805 1.00 2.13 C ATOM 86 CD1 ILE A 156 -10.050 -0.718 -5.085 1.00 2.11 C ATOM 0 H ILE A 156 -11.831 -0.129 -2.275 1.00 2.02 H new ATOM 0 HA ILE A 156 -9.977 -2.011 -1.018 1.00 1.83 H new ATOM 0 HB ILE A 156 -9.061 -2.457 -3.385 1.00 1.96 H new ATOM 0 HG12 ILE A 156 -11.025 -2.608 -5.071 1.00 2.15 H new ATOM 0 HG13 ILE A 156 -11.791 -1.393 -4.067 1.00 2.15 H new ATOM 0 HG21 ILE A 156 -10.580 -4.394 -3.679 1.00 2.13 H new ATOM 0 HG22 ILE A 156 -10.093 -4.176 -1.981 1.00 2.13 H new ATOM 0 HG23 ILE A 156 -11.711 -3.664 -2.515 1.00 2.13 H new ATOM 0 HD11 ILE A 156 -10.621 -0.368 -5.945 1.00 2.11 H new ATOM 0 HD12 ILE A 156 -9.873 0.114 -4.404 1.00 2.11 H new ATOM 0 HD13 ILE A 156 -9.095 -1.119 -5.423 1.00 2.11 H new ATOM 98 N VAL A 157 -7.976 -0.581 -1.879 1.00 1.45 N ATOM 99 CA VAL A 157 -6.920 0.356 -2.192 1.00 1.29 C ATOM 100 C VAL A 157 -5.927 -0.303 -3.132 1.00 1.25 C ATOM 101 O VAL A 157 -5.309 -1.315 -2.794 1.00 1.18 O ATOM 102 CB VAL A 157 -6.168 0.855 -0.941 1.00 1.14 C ATOM 103 CG1 VAL A 157 -5.173 1.939 -1.327 1.00 1.44 C ATOM 104 CG2 VAL A 157 -7.131 1.361 0.121 1.00 1.67 C ATOM 0 H VAL A 157 -7.650 -1.472 -1.504 1.00 1.45 H new ATOM 0 HA VAL A 157 -7.390 1.222 -2.658 1.00 1.29 H new ATOM 0 HB VAL A 157 -5.623 0.013 -0.514 1.00 1.14 H new ATOM 0 HG11 VAL A 157 -4.648 2.284 -0.437 1.00 1.44 H new ATOM 0 HG12 VAL A 157 -4.453 1.535 -2.039 1.00 1.44 H new ATOM 0 HG13 VAL A 157 -5.704 2.775 -1.782 1.00 1.44 H new ATOM 0 HG21 VAL A 157 -6.568 1.705 0.989 1.00 1.67 H new ATOM 0 HG22 VAL A 157 -7.716 2.187 -0.283 1.00 1.67 H new ATOM 0 HG23 VAL A 157 -7.800 0.554 0.419 1.00 1.67 H new ATOM 114 N ARG A 158 -5.801 0.256 -4.316 1.00 1.38 N ATOM 115 CA ARG A 158 -4.896 -0.274 -5.320 1.00 1.47 C ATOM 116 C ARG A 158 -3.480 0.221 -5.075 1.00 1.29 C ATOM 117 O ARG A 158 -3.147 1.371 -5.349 1.00 1.32 O ATOM 118 CB ARG A 158 -5.386 0.109 -6.708 1.00 1.78 C ATOM 119 CG ARG A 158 -6.673 -0.609 -7.095 1.00 2.00 C ATOM 120 CD ARG A 158 -7.302 -0.001 -8.330 1.00 2.31 C ATOM 121 NE ARG A 158 -8.623 -0.563 -8.602 1.00 2.65 N ATOM 122 CZ ARG A 158 -9.569 0.058 -9.307 1.00 2.95 C ATOM 123 NH1 ARG A 158 -9.344 1.261 -9.821 1.00 3.05 N ATOM 124 NH2 ARG A 158 -10.740 -0.531 -9.502 1.00 3.61 N ATOM 0 H ARG A 158 -6.317 1.085 -4.611 1.00 1.38 H new ATOM 0 HA ARG A 158 -4.880 -1.362 -5.251 1.00 1.47 H new ATOM 0 HB2 ARG A 158 -5.550 1.186 -6.747 1.00 1.78 H new ATOM 0 HB3 ARG A 158 -4.611 -0.122 -7.439 1.00 1.78 H new ATOM 0 HG2 ARG A 158 -6.462 -1.663 -7.275 1.00 2.00 H new ATOM 0 HG3 ARG A 158 -7.379 -0.563 -6.266 1.00 2.00 H new ATOM 0 HD2 ARG A 158 -7.386 1.078 -8.201 1.00 2.31 H new ATOM 0 HD3 ARG A 158 -6.652 -0.169 -9.189 1.00 2.31 H new ATOM 0 HE ARG A 158 -8.835 -1.488 -8.229 1.00 2.65 H new ATOM 0 HH11 ARG A 158 -8.443 1.716 -9.678 1.00 3.05 H new ATOM 0 HH12 ARG A 158 -10.072 1.730 -10.359 1.00 3.05 H new ATOM 0 HH21 ARG A 158 -10.916 -1.457 -9.113 1.00 3.61 H new ATOM 0 HH22 ARG A 158 -11.465 -0.058 -10.041 1.00 3.61 H new ATOM 138 N VAL A 159 -2.664 -0.664 -4.538 1.00 1.17 N ATOM 139 CA VAL A 159 -1.296 -0.352 -4.170 1.00 1.00 C ATOM 140 C VAL A 159 -0.329 -0.673 -5.297 1.00 1.24 C ATOM 141 O VAL A 159 -0.173 -1.828 -5.678 1.00 1.40 O ATOM 142 CB VAL A 159 -0.873 -1.153 -2.924 1.00 0.77 C ATOM 143 CG1 VAL A 159 0.611 -0.972 -2.651 1.00 0.79 C ATOM 144 CG2 VAL A 159 -1.702 -0.736 -1.723 1.00 0.68 C ATOM 0 H VAL A 159 -2.933 -1.628 -4.343 1.00 1.17 H new ATOM 0 HA VAL A 159 -1.260 0.717 -3.959 1.00 1.00 H new ATOM 0 HB VAL A 159 -1.053 -2.211 -3.112 1.00 0.77 H new ATOM 0 HG11 VAL A 159 0.891 -1.545 -1.767 1.00 0.79 H new ATOM 0 HG12 VAL A 159 1.184 -1.324 -3.509 1.00 0.79 H new ATOM 0 HG13 VAL A 159 0.824 0.083 -2.481 1.00 0.79 H new ATOM 0 HG21 VAL A 159 -1.392 -1.310 -0.850 1.00 0.68 H new ATOM 0 HG22 VAL A 159 -1.554 0.326 -1.530 1.00 0.68 H new ATOM 0 HG23 VAL A 159 -2.756 -0.924 -1.926 1.00 0.68 H new ATOM 154 N PHE A 160 0.325 0.343 -5.820 1.00 1.35 N ATOM 155 CA PHE A 160 1.354 0.134 -6.817 1.00 1.60 C ATOM 156 C PHE A 160 2.628 -0.347 -6.143 1.00 1.50 C ATOM 157 O PHE A 160 3.354 0.411 -5.502 1.00 1.42 O ATOM 158 CB PHE A 160 1.590 1.402 -7.638 1.00 1.81 C ATOM 159 CG PHE A 160 0.480 1.671 -8.620 1.00 2.01 C ATOM 160 CD1 PHE A 160 -0.836 1.722 -8.192 1.00 1.91 C ATOM 161 CD2 PHE A 160 0.750 1.868 -9.965 1.00 2.34 C ATOM 162 CE1 PHE A 160 -1.866 1.961 -9.079 1.00 2.13 C ATOM 163 CE2 PHE A 160 -0.277 2.109 -10.860 1.00 2.54 C ATOM 164 CZ PHE A 160 -1.586 2.152 -10.416 1.00 2.44 C ATOM 0 H PHE A 160 0.163 1.319 -5.572 1.00 1.35 H new ATOM 0 HA PHE A 160 1.023 -0.636 -7.514 1.00 1.60 H new ATOM 0 HB2 PHE A 160 1.689 2.253 -6.965 1.00 1.81 H new ATOM 0 HB3 PHE A 160 2.533 1.311 -8.177 1.00 1.81 H new ATOM 0 HD1 PHE A 160 -1.060 1.572 -7.146 1.00 1.91 H new ATOM 0 HD2 PHE A 160 1.770 1.833 -10.317 1.00 2.34 H new ATOM 0 HE1 PHE A 160 -2.887 1.998 -8.728 1.00 2.13 H new ATOM 0 HE2 PHE A 160 -0.056 2.264 -11.906 1.00 2.54 H new ATOM 0 HZ PHE A 160 -2.388 2.335 -11.115 1.00 2.44 H new ATOM 174 N LEU A 161 2.858 -1.634 -6.287 1.00 1.56 N ATOM 175 CA LEU A 161 3.976 -2.319 -5.668 1.00 1.52 C ATOM 176 C LEU A 161 5.289 -1.908 -6.324 1.00 1.73 C ATOM 177 O LEU A 161 5.285 -1.292 -7.393 1.00 1.95 O ATOM 178 CB LEU A 161 3.779 -3.824 -5.843 1.00 1.63 C ATOM 179 CG LEU A 161 2.362 -4.322 -5.579 1.00 1.54 C ATOM 180 CD1 LEU A 161 2.100 -5.582 -6.378 1.00 2.07 C ATOM 181 CD2 LEU A 161 2.156 -4.575 -4.095 1.00 1.85 C ATOM 0 H LEU A 161 2.264 -2.246 -6.847 1.00 1.56 H new ATOM 0 HA LEU A 161 4.018 -2.055 -4.611 1.00 1.52 H new ATOM 0 HB2 LEU A 161 4.060 -4.096 -6.860 1.00 1.63 H new ATOM 0 HB3 LEU A 161 4.462 -4.345 -5.173 1.00 1.63 H new ATOM 0 HG LEU A 161 1.654 -3.556 -5.894 1.00 1.54 H new ATOM 0 HD11 LEU A 161 1.086 -5.932 -6.184 1.00 2.07 H new ATOM 0 HD12 LEU A 161 2.213 -5.369 -7.441 1.00 2.07 H new ATOM 0 HD13 LEU A 161 2.812 -6.353 -6.085 1.00 2.07 H new ATOM 0 HD21 LEU A 161 1.140 -4.930 -3.924 1.00 1.85 H new ATOM 0 HD22 LEU A 161 2.866 -5.328 -3.752 1.00 1.85 H new ATOM 0 HD23 LEU A 161 2.315 -3.649 -3.543 1.00 1.85 H new ATOM 193 N PRO A 162 6.427 -2.238 -5.695 1.00 1.72 N ATOM 194 CA PRO A 162 7.746 -2.050 -6.302 1.00 1.96 C ATOM 195 C PRO A 162 7.820 -2.650 -7.703 1.00 2.24 C ATOM 196 O PRO A 162 7.070 -3.577 -8.033 1.00 2.27 O ATOM 197 CB PRO A 162 8.673 -2.804 -5.350 1.00 1.92 C ATOM 198 CG PRO A 162 7.991 -2.711 -4.031 1.00 1.65 C ATOM 199 CD PRO A 162 6.523 -2.794 -4.330 1.00 1.51 C ATOM 0 HA PRO A 162 8.001 -0.997 -6.426 1.00 1.96 H new ATOM 0 HB2 PRO A 162 8.804 -3.841 -5.659 1.00 1.92 H new ATOM 0 HB3 PRO A 162 9.665 -2.353 -5.319 1.00 1.92 H new ATOM 0 HG2 PRO A 162 8.303 -3.520 -3.370 1.00 1.65 H new ATOM 0 HG3 PRO A 162 8.236 -1.776 -3.528 1.00 1.65 H new ATOM 0 HD2 PRO A 162 6.160 -3.821 -4.287 1.00 1.51 H new ATOM 0 HD3 PRO A 162 5.933 -2.217 -3.617 1.00 1.51 H new ATOM 207 N ASN A 163 8.716 -2.108 -8.524 1.00 2.48 N ATOM 208 CA ASN A 163 8.898 -2.558 -9.904 1.00 2.78 C ATOM 209 C ASN A 163 7.690 -2.189 -10.761 1.00 2.84 C ATOM 210 O ASN A 163 7.426 -2.818 -11.786 1.00 3.05 O ATOM 211 CB ASN A 163 9.162 -4.070 -9.963 1.00 2.88 C ATOM 212 CG ASN A 163 10.518 -4.450 -9.392 1.00 3.09 C ATOM 213 OD1 ASN A 163 10.666 -4.654 -8.186 1.00 3.40 O ATOM 214 ND2 ASN A 163 11.513 -4.562 -10.258 1.00 3.47 N ATOM 0 H ASN A 163 9.336 -1.345 -8.253 1.00 2.48 H new ATOM 0 HA ASN A 163 9.772 -2.047 -10.308 1.00 2.78 H new ATOM 0 HB2 ASN A 163 8.381 -4.593 -9.412 1.00 2.88 H new ATOM 0 HB3 ASN A 163 9.101 -4.405 -10.998 1.00 2.88 H new ATOM 0 HD21 ASN A 163 12.444 -4.826 -9.934 1.00 3.47 H new ATOM 0 HD22 ASN A 163 11.349 -4.384 -11.249 1.00 3.47 H new ATOM 221 N LYS A 164 6.964 -1.161 -10.323 1.00 2.69 N ATOM 222 CA LYS A 164 5.836 -0.600 -11.074 1.00 2.78 C ATOM 223 C LYS A 164 4.722 -1.616 -11.309 1.00 2.78 C ATOM 224 O LYS A 164 4.021 -1.564 -12.322 1.00 3.01 O ATOM 225 CB LYS A 164 6.309 -0.014 -12.405 1.00 3.11 C ATOM 226 CG LYS A 164 7.174 1.222 -12.237 1.00 3.16 C ATOM 227 CD LYS A 164 6.399 2.385 -11.631 1.00 3.36 C ATOM 228 CE LYS A 164 5.271 2.845 -12.541 1.00 3.97 C ATOM 229 NZ LYS A 164 4.588 4.054 -12.012 1.00 4.66 N ATOM 0 H LYS A 164 7.140 -0.691 -9.435 1.00 2.69 H new ATOM 0 HA LYS A 164 5.418 0.198 -10.460 1.00 2.78 H new ATOM 0 HB2 LYS A 164 6.871 -0.772 -12.950 1.00 3.11 H new ATOM 0 HB3 LYS A 164 5.440 0.238 -13.014 1.00 3.11 H new ATOM 0 HG2 LYS A 164 8.026 0.984 -11.601 1.00 3.16 H new ATOM 0 HG3 LYS A 164 7.573 1.519 -13.207 1.00 3.16 H new ATOM 0 HD2 LYS A 164 5.989 2.086 -10.666 1.00 3.36 H new ATOM 0 HD3 LYS A 164 7.078 3.217 -11.444 1.00 3.36 H new ATOM 0 HE2 LYS A 164 5.669 3.058 -13.533 1.00 3.97 H new ATOM 0 HE3 LYS A 164 4.546 2.039 -12.655 1.00 3.97 H new ATOM 0 HZ1 LYS A 164 3.826 4.335 -12.662 1.00 4.66 H new ATOM 0 HZ2 LYS A 164 4.185 3.844 -11.076 1.00 4.66 H new ATOM 0 HZ3 LYS A 164 5.274 4.831 -11.927 1.00 4.66 H new ATOM 243 N GLN A 165 4.562 -2.535 -10.376 1.00 2.56 N ATOM 244 CA GLN A 165 3.446 -3.442 -10.385 1.00 2.56 C ATOM 245 C GLN A 165 2.356 -2.868 -9.502 1.00 2.31 C ATOM 246 O GLN A 165 2.524 -1.783 -8.962 1.00 2.15 O ATOM 247 CB GLN A 165 3.903 -4.803 -9.883 1.00 2.53 C ATOM 248 CG GLN A 165 4.296 -5.753 -11.001 1.00 2.86 C ATOM 249 CD GLN A 165 4.877 -7.057 -10.495 1.00 3.08 C ATOM 250 OE1 GLN A 165 5.495 -7.107 -9.431 1.00 3.33 O ATOM 251 NE2 GLN A 165 4.684 -8.123 -11.255 1.00 3.57 N ATOM 0 H GLN A 165 5.204 -2.668 -9.595 1.00 2.56 H new ATOM 0 HA GLN A 165 3.054 -3.568 -11.394 1.00 2.56 H new ATOM 0 HB2 GLN A 165 4.753 -4.669 -9.213 1.00 2.53 H new ATOM 0 HB3 GLN A 165 3.103 -5.254 -9.296 1.00 2.53 H new ATOM 0 HG2 GLN A 165 3.420 -5.966 -11.614 1.00 2.86 H new ATOM 0 HG3 GLN A 165 5.025 -5.263 -11.646 1.00 2.86 H new ATOM 0 HE21 GLN A 165 4.166 -8.039 -12.130 1.00 3.57 H new ATOM 0 HE22 GLN A 165 5.053 -9.029 -10.966 1.00 3.57 H new ATOM 260 N ARG A 166 1.226 -3.541 -9.391 1.00 2.31 N ATOM 261 CA ARG A 166 0.205 -3.110 -8.470 1.00 2.09 C ATOM 262 C ARG A 166 -0.586 -4.294 -7.934 1.00 2.04 C ATOM 263 O ARG A 166 -0.856 -5.256 -8.650 1.00 2.28 O ATOM 264 CB ARG A 166 -0.726 -2.098 -9.127 1.00 2.22 C ATOM 265 CG ARG A 166 -1.655 -2.685 -10.157 1.00 2.51 C ATOM 266 CD ARG A 166 -2.562 -1.624 -10.747 1.00 2.64 C ATOM 267 NE ARG A 166 -3.579 -2.197 -11.621 1.00 2.98 N ATOM 268 CZ ARG A 166 -4.479 -1.477 -12.289 1.00 3.20 C ATOM 269 NH1 ARG A 166 -4.469 -0.149 -12.210 1.00 3.17 N ATOM 270 NH2 ARG A 166 -5.382 -2.089 -13.043 1.00 3.54 N ATOM 0 H ARG A 166 0.998 -4.380 -9.924 1.00 2.31 H new ATOM 0 HA ARG A 166 0.700 -2.626 -7.628 1.00 2.09 H new ATOM 0 HB2 ARG A 166 -1.321 -1.614 -8.353 1.00 2.22 H new ATOM 0 HB3 ARG A 166 -0.124 -1.321 -9.599 1.00 2.22 H new ATOM 0 HG2 ARG A 166 -1.073 -3.152 -10.951 1.00 2.51 H new ATOM 0 HG3 ARG A 166 -2.258 -3.470 -9.701 1.00 2.51 H new ATOM 0 HD2 ARG A 166 -3.046 -1.072 -9.941 1.00 2.64 H new ATOM 0 HD3 ARG A 166 -1.963 -0.907 -11.309 1.00 2.64 H new ATOM 0 HE ARG A 166 -3.603 -3.211 -11.727 1.00 2.98 H new ATOM 0 HH11 ARG A 166 -3.770 0.322 -11.636 1.00 3.17 H new ATOM 0 HH12 ARG A 166 -5.160 0.398 -12.723 1.00 3.17 H new ATOM 0 HH21 ARG A 166 -5.385 -3.107 -13.110 1.00 3.54 H new ATOM 0 HH22 ARG A 166 -6.073 -1.542 -13.556 1.00 3.54 H new ATOM 284 N THR A 167 -0.893 -4.233 -6.658 1.00 1.77 N ATOM 285 CA THR A 167 -1.821 -5.139 -6.032 1.00 1.75 C ATOM 286 C THR A 167 -2.833 -4.327 -5.231 1.00 1.63 C ATOM 287 O THR A 167 -2.463 -3.372 -4.553 1.00 1.62 O ATOM 288 CB THR A 167 -1.080 -6.129 -5.114 1.00 1.62 C ATOM 289 OG1 THR A 167 -1.209 -7.462 -5.619 1.00 1.91 O ATOM 290 CG2 THR A 167 -1.585 -6.054 -3.688 1.00 1.47 C ATOM 0 H THR A 167 -0.498 -3.542 -6.020 1.00 1.77 H new ATOM 0 HA THR A 167 -2.336 -5.718 -6.798 1.00 1.75 H new ATOM 0 HB THR A 167 -0.026 -5.851 -5.105 1.00 1.62 H new ATOM 0 HG1 THR A 167 -0.357 -7.935 -5.515 1.00 1.91 H new ATOM 0 HG21 THR A 167 -1.038 -6.767 -3.071 1.00 1.47 H new ATOM 0 HG22 THR A 167 -1.433 -5.047 -3.301 1.00 1.47 H new ATOM 0 HG23 THR A 167 -2.648 -6.295 -3.665 1.00 1.47 H new ATOM 298 N VAL A 168 -4.101 -4.671 -5.316 1.00 1.71 N ATOM 299 CA VAL A 168 -5.100 -3.955 -4.547 1.00 1.63 C ATOM 300 C VAL A 168 -5.451 -4.737 -3.289 1.00 1.55 C ATOM 301 O VAL A 168 -5.491 -5.966 -3.298 1.00 1.69 O ATOM 302 CB VAL A 168 -6.367 -3.610 -5.385 1.00 1.90 C ATOM 303 CG1 VAL A 168 -6.213 -4.062 -6.828 1.00 2.22 C ATOM 304 CG2 VAL A 168 -7.642 -4.178 -4.794 1.00 2.31 C ATOM 0 H VAL A 168 -4.461 -5.427 -5.898 1.00 1.71 H new ATOM 0 HA VAL A 168 -4.668 -2.998 -4.253 1.00 1.63 H new ATOM 0 HB VAL A 168 -6.456 -2.524 -5.359 1.00 1.90 H new ATOM 0 HG11 VAL A 168 -7.113 -3.807 -7.387 1.00 2.22 H new ATOM 0 HG12 VAL A 168 -5.354 -3.562 -7.276 1.00 2.22 H new ATOM 0 HG13 VAL A 168 -6.061 -5.141 -6.857 1.00 2.22 H new ATOM 0 HG21 VAL A 168 -8.489 -3.903 -5.423 1.00 2.31 H new ATOM 0 HG22 VAL A 168 -7.566 -5.264 -4.741 1.00 2.31 H new ATOM 0 HG23 VAL A 168 -7.789 -3.776 -3.792 1.00 2.31 H new ATOM 314 N VAL A 169 -5.638 -4.021 -2.198 1.00 1.38 N ATOM 315 CA VAL A 169 -6.024 -4.630 -0.942 1.00 1.41 C ATOM 316 C VAL A 169 -7.317 -3.994 -0.445 1.00 1.50 C ATOM 317 O VAL A 169 -7.400 -2.775 -0.319 1.00 1.41 O ATOM 318 CB VAL A 169 -4.905 -4.497 0.126 1.00 1.24 C ATOM 319 CG1 VAL A 169 -4.436 -3.056 0.267 1.00 1.57 C ATOM 320 CG2 VAL A 169 -5.360 -5.038 1.475 1.00 1.67 C ATOM 0 H VAL A 169 -5.527 -3.008 -2.157 1.00 1.38 H new ATOM 0 HA VAL A 169 -6.184 -5.695 -1.111 1.00 1.41 H new ATOM 0 HB VAL A 169 -4.062 -5.096 -0.218 1.00 1.24 H new ATOM 0 HG11 VAL A 169 -3.653 -3.001 1.023 1.00 1.57 H new ATOM 0 HG12 VAL A 169 -4.044 -2.706 -0.688 1.00 1.57 H new ATOM 0 HG13 VAL A 169 -5.275 -2.428 0.567 1.00 1.57 H new ATOM 0 HG21 VAL A 169 -4.554 -4.930 2.201 1.00 1.67 H new ATOM 0 HG22 VAL A 169 -6.232 -4.480 1.816 1.00 1.67 H new ATOM 0 HG23 VAL A 169 -5.620 -6.092 1.375 1.00 1.67 H new ATOM 330 N PRO A 170 -8.365 -4.805 -0.213 1.00 1.73 N ATOM 331 CA PRO A 170 -9.626 -4.322 0.329 1.00 1.87 C ATOM 332 C PRO A 170 -9.398 -3.495 1.574 1.00 1.79 C ATOM 333 O PRO A 170 -8.689 -3.918 2.487 1.00 1.76 O ATOM 334 CB PRO A 170 -10.416 -5.602 0.652 1.00 2.12 C ATOM 335 CG PRO A 170 -9.442 -6.720 0.493 1.00 2.10 C ATOM 336 CD PRO A 170 -8.426 -6.237 -0.497 1.00 1.90 C ATOM 0 HA PRO A 170 -10.157 -3.672 -0.367 1.00 1.87 H new ATOM 0 HB2 PRO A 170 -10.817 -5.571 1.665 1.00 2.12 H new ATOM 0 HB3 PRO A 170 -11.264 -5.721 -0.022 1.00 2.12 H new ATOM 0 HG2 PRO A 170 -8.973 -6.969 1.445 1.00 2.10 H new ATOM 0 HG3 PRO A 170 -9.938 -7.623 0.136 1.00 2.10 H new ATOM 0 HD2 PRO A 170 -7.459 -6.720 -0.355 1.00 1.90 H new ATOM 0 HD3 PRO A 170 -8.734 -6.435 -1.524 1.00 1.90 H new ATOM 344 N ALA A 171 -9.991 -2.313 1.596 1.00 1.82 N ATOM 345 CA ALA A 171 -9.778 -1.376 2.686 1.00 1.82 C ATOM 346 C ALA A 171 -10.221 -2.006 3.992 1.00 2.05 C ATOM 347 O ALA A 171 -11.408 -2.218 4.233 1.00 2.28 O ATOM 348 CB ALA A 171 -10.524 -0.078 2.426 1.00 1.88 C ATOM 0 H ALA A 171 -10.625 -1.979 0.870 1.00 1.82 H new ATOM 0 HA ALA A 171 -8.716 -1.141 2.754 1.00 1.82 H new ATOM 0 HB1 ALA A 171 -10.353 0.612 3.253 1.00 1.88 H new ATOM 0 HB2 ALA A 171 -10.164 0.369 1.500 1.00 1.88 H new ATOM 0 HB3 ALA A 171 -11.591 -0.283 2.339 1.00 1.88 H new ATOM 354 N ARG A 172 -9.242 -2.355 4.804 1.00 2.03 N ATOM 355 CA ARG A 172 -9.484 -3.056 6.045 1.00 2.28 C ATOM 356 C ARG A 172 -9.681 -2.068 7.186 1.00 2.44 C ATOM 357 O ARG A 172 -8.759 -1.350 7.565 1.00 2.39 O ATOM 358 CB ARG A 172 -8.316 -4.001 6.322 1.00 2.23 C ATOM 359 CG ARG A 172 -8.207 -5.167 5.341 1.00 2.18 C ATOM 360 CD ARG A 172 -9.495 -5.983 5.243 1.00 2.43 C ATOM 361 NE ARG A 172 -10.551 -5.278 4.509 1.00 2.82 N ATOM 362 CZ ARG A 172 -11.749 -5.793 4.228 1.00 3.26 C ATOM 363 NH1 ARG A 172 -12.049 -7.033 4.590 1.00 3.26 N ATOM 364 NH2 ARG A 172 -12.649 -5.061 3.584 1.00 3.98 N ATOM 0 H ARG A 172 -8.258 -2.160 4.620 1.00 2.03 H new ATOM 0 HA ARG A 172 -10.398 -3.643 5.962 1.00 2.28 H new ATOM 0 HB2 ARG A 172 -7.388 -3.430 6.295 1.00 2.23 H new ATOM 0 HB3 ARG A 172 -8.417 -4.399 7.332 1.00 2.23 H new ATOM 0 HG2 ARG A 172 -7.951 -4.782 4.354 1.00 2.18 H new ATOM 0 HG3 ARG A 172 -7.391 -5.821 5.650 1.00 2.18 H new ATOM 0 HD2 ARG A 172 -9.284 -6.931 4.749 1.00 2.43 H new ATOM 0 HD3 ARG A 172 -9.849 -6.219 6.246 1.00 2.43 H new ATOM 0 HE ARG A 172 -10.356 -4.328 4.192 1.00 2.82 H new ATOM 0 HH11 ARG A 172 -11.362 -7.600 5.087 1.00 3.26 H new ATOM 0 HH12 ARG A 172 -12.967 -7.420 4.372 1.00 3.26 H new ATOM 0 HH21 ARG A 172 -12.424 -4.106 3.305 1.00 3.98 H new ATOM 0 HH22 ARG A 172 -13.566 -5.453 3.368 1.00 3.98 H new ATOM 378 N CYS A 173 -10.897 -2.012 7.711 1.00 2.68 N ATOM 379 CA CYS A 173 -11.235 -1.051 8.751 1.00 2.89 C ATOM 380 C CYS A 173 -10.815 -1.577 10.116 1.00 3.07 C ATOM 381 O CYS A 173 -11.226 -2.661 10.533 1.00 3.19 O ATOM 382 CB CYS A 173 -12.733 -0.734 8.715 1.00 3.08 C ATOM 383 SG CYS A 173 -13.803 -2.191 8.699 1.00 3.37 S ATOM 0 H CYS A 173 -11.666 -2.621 7.433 1.00 2.68 H new ATOM 0 HA CYS A 173 -10.690 -0.125 8.567 1.00 2.89 H new ATOM 0 HB2 CYS A 173 -12.984 -0.123 9.582 1.00 3.08 H new ATOM 0 HB3 CYS A 173 -12.944 -0.133 7.830 1.00 3.08 H new ATOM 0 HG CYS A 173 -13.261 -3.135 9.409 1.00 3.37 H new ATOM 389 N GLY A 174 -9.981 -0.810 10.799 1.00 3.11 N ATOM 390 CA GLY A 174 -9.397 -1.276 12.037 1.00 3.31 C ATOM 391 C GLY A 174 -8.079 -1.956 11.768 1.00 3.16 C ATOM 392 O GLY A 174 -7.513 -2.621 12.635 1.00 3.34 O ATOM 0 H GLY A 174 -9.698 0.129 10.517 1.00 3.11 H new ATOM 0 HA2 GLY A 174 -9.249 -0.437 12.716 1.00 3.31 H new ATOM 0 HA3 GLY A 174 -10.078 -1.969 12.530 1.00 3.31 H new ATOM 396 N VAL A 175 -7.607 -1.793 10.541 1.00 2.87 N ATOM 397 CA VAL A 175 -6.368 -2.397 10.093 1.00 2.70 C ATOM 398 C VAL A 175 -5.433 -1.320 9.581 1.00 2.51 C ATOM 399 O VAL A 175 -5.865 -0.346 8.959 1.00 2.45 O ATOM 400 CB VAL A 175 -6.629 -3.452 8.994 1.00 2.53 C ATOM 401 CG1 VAL A 175 -5.332 -4.024 8.440 1.00 2.60 C ATOM 402 CG2 VAL A 175 -7.476 -4.582 9.547 1.00 2.77 C ATOM 0 H VAL A 175 -8.077 -1.235 9.828 1.00 2.87 H new ATOM 0 HA VAL A 175 -5.903 -2.905 10.938 1.00 2.70 H new ATOM 0 HB VAL A 175 -7.157 -2.952 8.182 1.00 2.53 H new ATOM 0 HG11 VAL A 175 -5.559 -4.762 7.670 1.00 2.60 H new ATOM 0 HG12 VAL A 175 -4.735 -3.221 8.008 1.00 2.60 H new ATOM 0 HG13 VAL A 175 -4.771 -4.500 9.244 1.00 2.60 H new ATOM 0 HG21 VAL A 175 -7.654 -5.320 8.765 1.00 2.77 H new ATOM 0 HG22 VAL A 175 -6.954 -5.054 10.379 1.00 2.77 H new ATOM 0 HG23 VAL A 175 -8.430 -4.185 9.895 1.00 2.77 H new ATOM 412 N THR A 176 -4.157 -1.498 9.844 1.00 2.46 N ATOM 413 CA THR A 176 -3.170 -0.503 9.506 1.00 2.32 C ATOM 414 C THR A 176 -2.612 -0.792 8.130 1.00 1.98 C ATOM 415 O THR A 176 -2.869 -1.865 7.570 1.00 1.90 O ATOM 416 CB THR A 176 -2.024 -0.494 10.536 1.00 2.50 C ATOM 417 OG1 THR A 176 -1.493 -1.817 10.693 1.00 2.55 O ATOM 418 CG2 THR A 176 -2.497 0.028 11.887 1.00 2.83 C ATOM 0 H THR A 176 -3.779 -2.331 10.295 1.00 2.46 H new ATOM 0 HA THR A 176 -3.649 0.476 9.514 1.00 2.32 H new ATOM 0 HB THR A 176 -1.246 0.172 10.163 1.00 2.50 H new ATOM 0 HG1 THR A 176 -1.008 -1.876 11.543 1.00 2.55 H new ATOM 0 HG21 THR A 176 -1.665 0.022 12.591 1.00 2.83 H new ATOM 0 HG22 THR A 176 -2.869 1.046 11.774 1.00 2.83 H new ATOM 0 HG23 THR A 176 -3.296 -0.610 12.264 1.00 2.83 H new ATOM 426 N VAL A 177 -1.865 0.146 7.582 1.00 1.82 N ATOM 427 CA VAL A 177 -1.164 -0.083 6.330 1.00 1.52 C ATOM 428 C VAL A 177 -0.272 -1.308 6.473 1.00 1.52 C ATOM 429 O VAL A 177 -0.073 -2.061 5.528 1.00 1.33 O ATOM 430 CB VAL A 177 -0.306 1.135 5.944 1.00 1.45 C ATOM 431 CG1 VAL A 177 0.241 0.998 4.536 1.00 1.78 C ATOM 432 CG2 VAL A 177 -1.107 2.412 6.093 1.00 1.92 C ATOM 0 H VAL A 177 -1.727 1.074 7.982 1.00 1.82 H new ATOM 0 HA VAL A 177 -1.902 -0.244 5.544 1.00 1.52 H new ATOM 0 HB VAL A 177 0.545 1.180 6.623 1.00 1.45 H new ATOM 0 HG11 VAL A 177 0.843 1.874 4.293 1.00 1.78 H new ATOM 0 HG12 VAL A 177 0.860 0.103 4.472 1.00 1.78 H new ATOM 0 HG13 VAL A 177 -0.586 0.919 3.830 1.00 1.78 H new ATOM 0 HG21 VAL A 177 -0.487 3.265 5.816 1.00 1.92 H new ATOM 0 HG22 VAL A 177 -1.980 2.372 5.442 1.00 1.92 H new ATOM 0 HG23 VAL A 177 -1.431 2.520 7.128 1.00 1.92 H new ATOM 442 N ARG A 178 0.224 -1.511 7.687 1.00 1.79 N ATOM 443 CA ARG A 178 1.085 -2.631 8.005 1.00 1.88 C ATOM 444 C ARG A 178 0.483 -3.969 7.589 1.00 1.85 C ATOM 445 O ARG A 178 1.120 -4.724 6.868 1.00 1.73 O ATOM 446 CB ARG A 178 1.396 -2.618 9.502 1.00 2.23 C ATOM 447 CG ARG A 178 2.155 -3.835 9.992 1.00 2.43 C ATOM 448 CD ARG A 178 3.452 -4.034 9.230 1.00 2.70 C ATOM 449 NE ARG A 178 4.141 -5.257 9.639 1.00 3.12 N ATOM 450 CZ ARG A 178 5.446 -5.478 9.478 1.00 3.76 C ATOM 451 NH1 ARG A 178 6.228 -4.552 8.939 1.00 4.24 N ATOM 452 NH2 ARG A 178 5.978 -6.625 9.877 1.00 4.27 N ATOM 0 H ARG A 178 0.036 -0.897 8.479 1.00 1.79 H new ATOM 0 HA ARG A 178 2.007 -2.519 7.434 1.00 1.88 H new ATOM 0 HB2 ARG A 178 1.977 -1.725 9.733 1.00 2.23 H new ATOM 0 HB3 ARG A 178 0.460 -2.541 10.055 1.00 2.23 H new ATOM 0 HG2 ARG A 178 2.371 -3.725 11.055 1.00 2.43 H new ATOM 0 HG3 ARG A 178 1.530 -4.721 9.884 1.00 2.43 H new ATOM 0 HD2 ARG A 178 3.243 -4.075 8.161 1.00 2.70 H new ATOM 0 HD3 ARG A 178 4.105 -3.177 9.394 1.00 2.70 H new ATOM 0 HE ARG A 178 3.585 -5.991 10.078 1.00 3.12 H new ATOM 0 HH11 ARG A 178 5.832 -3.660 8.643 1.00 4.24 H new ATOM 0 HH12 ARG A 178 7.225 -4.732 8.821 1.00 4.24 H new ATOM 0 HH21 ARG A 178 5.389 -7.338 10.307 1.00 4.27 H new ATOM 0 HH22 ARG A 178 6.976 -6.794 9.754 1.00 4.27 H new ATOM 466 N ASP A 179 -0.731 -4.256 8.026 1.00 2.00 N ATOM 467 CA ASP A 179 -1.336 -5.563 7.775 1.00 2.07 C ATOM 468 C ASP A 179 -1.784 -5.686 6.328 1.00 1.81 C ATOM 469 O ASP A 179 -1.550 -6.699 5.661 1.00 1.77 O ATOM 470 CB ASP A 179 -2.546 -5.775 8.673 1.00 2.32 C ATOM 471 CG ASP A 179 -2.690 -7.221 9.091 1.00 2.51 C ATOM 472 OD1 ASP A 179 -1.940 -7.661 9.991 1.00 2.78 O ATOM 473 OD2 ASP A 179 -3.545 -7.927 8.518 1.00 2.87 O ATOM 0 H ASP A 179 -1.318 -3.610 8.553 1.00 2.00 H new ATOM 0 HA ASP A 179 -0.579 -6.318 7.988 1.00 2.07 H new ATOM 0 HB2 ASP A 179 -2.455 -5.148 9.560 1.00 2.32 H new ATOM 0 HB3 ASP A 179 -3.447 -5.457 8.149 1.00 2.32 H new ATOM 478 N SER A 180 -2.416 -4.635 5.851 1.00 1.66 N ATOM 479 CA SER A 180 -2.984 -4.625 4.519 1.00 1.46 C ATOM 480 C SER A 180 -1.885 -4.742 3.466 1.00 1.22 C ATOM 481 O SER A 180 -1.916 -5.611 2.582 1.00 1.22 O ATOM 482 CB SER A 180 -3.775 -3.337 4.346 1.00 1.40 C ATOM 483 OG SER A 180 -3.088 -2.239 4.924 1.00 1.99 O ATOM 0 H SER A 180 -2.550 -3.768 6.372 1.00 1.66 H new ATOM 0 HA SER A 180 -3.648 -5.480 4.389 1.00 1.46 H new ATOM 0 HB2 SER A 180 -3.943 -3.148 3.286 1.00 1.40 H new ATOM 0 HB3 SER A 180 -4.756 -3.443 4.810 1.00 1.40 H new ATOM 0 HG SER A 180 -3.354 -2.144 5.862 1.00 1.99 H new ATOM 489 N LEU A 181 -0.902 -3.871 3.578 1.00 1.10 N ATOM 490 CA LEU A 181 0.238 -3.900 2.703 1.00 0.92 C ATOM 491 C LEU A 181 1.101 -5.129 2.948 1.00 1.10 C ATOM 492 O LEU A 181 1.850 -5.546 2.068 1.00 1.07 O ATOM 493 CB LEU A 181 1.063 -2.651 2.915 1.00 0.85 C ATOM 494 CG LEU A 181 0.690 -1.457 2.049 1.00 0.68 C ATOM 495 CD1 LEU A 181 1.236 -1.644 0.650 1.00 0.94 C ATOM 496 CD2 LEU A 181 -0.820 -1.252 2.007 1.00 1.34 C ATOM 0 H LEU A 181 -0.877 -3.129 4.277 1.00 1.10 H new ATOM 0 HA LEU A 181 -0.123 -3.944 1.675 1.00 0.92 H new ATOM 0 HB2 LEU A 181 0.981 -2.357 3.961 1.00 0.85 H new ATOM 0 HB3 LEU A 181 2.110 -2.895 2.734 1.00 0.85 H new ATOM 0 HG LEU A 181 1.134 -0.565 2.490 1.00 0.68 H new ATOM 0 HD11 LEU A 181 0.965 -0.785 0.036 1.00 0.94 H new ATOM 0 HD12 LEU A 181 2.322 -1.732 0.692 1.00 0.94 H new ATOM 0 HD13 LEU A 181 0.815 -2.550 0.213 1.00 0.94 H new ATOM 0 HD21 LEU A 181 -1.053 -0.391 1.380 1.00 1.34 H new ATOM 0 HD22 LEU A 181 -1.297 -2.141 1.594 1.00 1.34 H new ATOM 0 HD23 LEU A 181 -1.192 -1.077 3.017 1.00 1.34 H new ATOM 508 N LYS A 182 1.011 -5.696 4.149 1.00 1.35 N ATOM 509 CA LYS A 182 1.733 -6.922 4.463 1.00 1.55 C ATOM 510 C LYS A 182 1.389 -7.988 3.434 1.00 1.54 C ATOM 511 O LYS A 182 2.277 -8.669 2.922 1.00 1.58 O ATOM 512 CB LYS A 182 1.409 -7.399 5.889 1.00 1.84 C ATOM 513 CG LYS A 182 0.835 -8.804 5.971 1.00 2.25 C ATOM 514 CD LYS A 182 0.131 -9.056 7.297 1.00 2.48 C ATOM 515 CE LYS A 182 1.048 -8.833 8.489 1.00 2.59 C ATOM 516 NZ LYS A 182 0.343 -9.057 9.779 1.00 3.08 N ATOM 0 H LYS A 182 0.448 -5.327 4.915 1.00 1.35 H new ATOM 0 HA LYS A 182 2.805 -6.727 4.423 1.00 1.55 H new ATOM 0 HB2 LYS A 182 2.319 -7.357 6.488 1.00 1.84 H new ATOM 0 HB3 LYS A 182 0.700 -6.704 6.338 1.00 1.84 H new ATOM 0 HG2 LYS A 182 0.132 -8.957 5.152 1.00 2.25 H new ATOM 0 HG3 LYS A 182 1.637 -9.531 5.842 1.00 2.25 H new ATOM 0 HD2 LYS A 182 -0.733 -8.397 7.378 1.00 2.48 H new ATOM 0 HD3 LYS A 182 -0.245 -10.079 7.317 1.00 2.48 H new ATOM 0 HE2 LYS A 182 1.903 -9.506 8.421 1.00 2.59 H new ATOM 0 HE3 LYS A 182 1.440 -7.816 8.461 1.00 2.59 H new ATOM 0 HZ1 LYS A 182 0.997 -8.879 10.568 1.00 3.08 H new ATOM 0 HZ2 LYS A 182 -0.468 -8.409 9.848 1.00 3.08 H new ATOM 0 HZ3 LYS A 182 0.006 -10.040 9.824 1.00 3.08 H new ATOM 530 N LYS A 183 0.101 -8.110 3.106 1.00 1.56 N ATOM 531 CA LYS A 183 -0.301 -8.999 2.026 1.00 1.62 C ATOM 532 C LYS A 183 0.276 -8.510 0.709 1.00 1.47 C ATOM 533 O LYS A 183 0.847 -9.285 -0.059 1.00 1.59 O ATOM 534 CB LYS A 183 -1.822 -9.087 1.875 1.00 1.72 C ATOM 535 CG LYS A 183 -2.215 -9.936 0.678 1.00 1.85 C ATOM 536 CD LYS A 183 -3.631 -9.682 0.188 1.00 1.95 C ATOM 537 CE LYS A 183 -3.849 -8.240 -0.233 1.00 2.25 C ATOM 538 NZ LYS A 183 -5.176 -8.059 -0.876 1.00 2.75 N ATOM 0 H LYS A 183 -0.663 -7.614 3.564 1.00 1.56 H new ATOM 0 HA LYS A 183 0.080 -9.988 2.279 1.00 1.62 H new ATOM 0 HB2 LYS A 183 -2.255 -9.511 2.781 1.00 1.72 H new ATOM 0 HB3 LYS A 183 -2.236 -8.085 1.763 1.00 1.72 H new ATOM 0 HG2 LYS A 183 -1.518 -9.744 -0.137 1.00 1.85 H new ATOM 0 HG3 LYS A 183 -2.114 -10.989 0.942 1.00 1.85 H new ATOM 0 HD2 LYS A 183 -3.844 -10.340 -0.655 1.00 1.95 H new ATOM 0 HD3 LYS A 183 -4.337 -9.937 0.978 1.00 1.95 H new ATOM 0 HE2 LYS A 183 -3.773 -7.589 0.638 1.00 2.25 H new ATOM 0 HE3 LYS A 183 -3.063 -7.938 -0.925 1.00 2.25 H new ATOM 0 HZ1 LYS A 183 -5.109 -7.324 -1.608 1.00 2.75 H new ATOM 0 HZ2 LYS A 183 -5.476 -8.955 -1.311 1.00 2.75 H new ATOM 0 HZ3 LYS A 183 -5.873 -7.772 -0.159 1.00 2.75 H new ATOM 552 N ALA A 184 0.114 -7.215 0.461 1.00 1.26 N ATOM 553 CA ALA A 184 0.522 -6.607 -0.800 1.00 1.18 C ATOM 554 C ALA A 184 1.965 -6.954 -1.163 1.00 1.25 C ATOM 555 O ALA A 184 2.238 -7.436 -2.265 1.00 1.43 O ATOM 556 CB ALA A 184 0.336 -5.097 -0.728 1.00 0.93 C ATOM 0 H ALA A 184 -0.301 -6.561 1.124 1.00 1.26 H new ATOM 0 HA ALA A 184 -0.112 -7.013 -1.588 1.00 1.18 H new ATOM 0 HB1 ALA A 184 0.642 -4.647 -1.672 1.00 0.93 H new ATOM 0 HB2 ALA A 184 -0.713 -4.868 -0.540 1.00 0.93 H new ATOM 0 HB3 ALA A 184 0.946 -4.693 0.080 1.00 0.93 H new ATOM 562 N LEU A 185 2.882 -6.723 -0.234 1.00 1.18 N ATOM 563 CA LEU A 185 4.289 -7.031 -0.457 1.00 1.30 C ATOM 564 C LEU A 185 4.504 -8.538 -0.558 1.00 1.54 C ATOM 565 O LEU A 185 5.148 -9.021 -1.492 1.00 1.70 O ATOM 566 CB LEU A 185 5.162 -6.465 0.674 1.00 1.28 C ATOM 567 CG LEU A 185 5.523 -4.982 0.596 1.00 1.20 C ATOM 568 CD1 LEU A 185 5.776 -4.518 -0.830 1.00 1.69 C ATOM 569 CD2 LEU A 185 4.462 -4.160 1.268 1.00 1.54 C ATOM 0 H LEU A 185 2.678 -6.323 0.682 1.00 1.18 H new ATOM 0 HA LEU A 185 4.582 -6.564 -1.397 1.00 1.30 H new ATOM 0 HB2 LEU A 185 4.647 -6.639 1.619 1.00 1.28 H new ATOM 0 HB3 LEU A 185 6.089 -7.038 0.706 1.00 1.28 H new ATOM 0 HG LEU A 185 6.464 -4.840 1.128 1.00 1.20 H new ATOM 0 HD11 LEU A 185 6.028 -3.458 -0.828 1.00 1.69 H new ATOM 0 HD12 LEU A 185 6.602 -5.087 -1.257 1.00 1.69 H new ATOM 0 HD13 LEU A 185 4.879 -4.676 -1.429 1.00 1.69 H new ATOM 0 HD21 LEU A 185 4.727 -3.104 1.208 1.00 1.54 H new ATOM 0 HD22 LEU A 185 3.506 -4.323 0.771 1.00 1.54 H new ATOM 0 HD23 LEU A 185 4.381 -4.455 2.314 1.00 1.54 H new ATOM 581 N MET A 186 3.948 -9.272 0.398 1.00 1.61 N ATOM 582 CA MET A 186 4.164 -10.716 0.492 1.00 1.84 C ATOM 583 C MET A 186 3.697 -11.474 -0.747 1.00 1.98 C ATOM 584 O MET A 186 4.269 -12.510 -1.083 1.00 2.18 O ATOM 585 CB MET A 186 3.485 -11.285 1.735 1.00 1.94 C ATOM 586 CG MET A 186 4.274 -11.069 3.020 1.00 1.99 C ATOM 587 SD MET A 186 5.360 -12.457 3.438 1.00 2.29 S ATOM 588 CE MET A 186 6.523 -12.441 2.073 1.00 2.25 C ATOM 0 H MET A 186 3.341 -8.891 1.124 1.00 1.61 H new ATOM 0 HA MET A 186 5.242 -10.857 0.566 1.00 1.84 H new ATOM 0 HB2 MET A 186 2.502 -10.827 1.842 1.00 1.94 H new ATOM 0 HB3 MET A 186 3.325 -12.354 1.593 1.00 1.94 H new ATOM 0 HG2 MET A 186 4.874 -10.164 2.922 1.00 1.99 H new ATOM 0 HG3 MET A 186 3.578 -10.902 3.842 1.00 1.99 H new ATOM 0 HE1 MET A 186 7.328 -13.148 2.273 1.00 2.25 H new ATOM 0 HE2 MET A 186 6.010 -12.726 1.154 1.00 2.25 H new ATOM 0 HE3 MET A 186 6.939 -11.440 1.961 1.00 2.25 H new ATOM 598 N MET A 187 2.686 -10.964 -1.443 1.00 1.91 N ATOM 599 CA MET A 187 2.167 -11.660 -2.622 1.00 2.11 C ATOM 600 C MET A 187 3.176 -11.597 -3.757 1.00 2.24 C ATOM 601 O MET A 187 3.246 -12.494 -4.595 1.00 2.50 O ATOM 602 CB MET A 187 0.825 -11.087 -3.092 1.00 2.07 C ATOM 603 CG MET A 187 -0.332 -11.371 -2.148 1.00 2.07 C ATOM 604 SD MET A 187 -1.927 -11.421 -2.993 1.00 2.22 S ATOM 605 CE MET A 187 -2.045 -9.736 -3.575 1.00 1.99 C ATOM 0 H MET A 187 2.215 -10.087 -1.219 1.00 1.91 H new ATOM 0 HA MET A 187 2.000 -12.698 -2.333 1.00 2.11 H new ATOM 0 HB2 MET A 187 0.925 -10.008 -3.214 1.00 2.07 H new ATOM 0 HB3 MET A 187 0.589 -11.499 -4.073 1.00 2.07 H new ATOM 0 HG2 MET A 187 -0.161 -12.324 -1.647 1.00 2.07 H new ATOM 0 HG3 MET A 187 -0.360 -10.604 -1.374 1.00 2.07 H new ATOM 0 HE1 MET A 187 -3.015 -9.323 -3.299 1.00 1.99 H new ATOM 0 HE2 MET A 187 -1.254 -9.138 -3.122 1.00 1.99 H new ATOM 0 HE3 MET A 187 -1.938 -9.717 -4.660 1.00 1.99 H new ATOM 615 N ARG A 188 3.956 -10.530 -3.772 1.00 2.10 N ATOM 616 CA ARG A 188 5.014 -10.367 -4.749 1.00 2.26 C ATOM 617 C ARG A 188 6.269 -11.093 -4.299 1.00 2.31 C ATOM 618 O ARG A 188 7.196 -11.300 -5.077 1.00 2.49 O ATOM 619 CB ARG A 188 5.310 -8.885 -4.935 1.00 2.17 C ATOM 620 CG ARG A 188 4.145 -8.096 -5.511 1.00 2.35 C ATOM 621 CD ARG A 188 3.932 -8.361 -7.000 1.00 2.34 C ATOM 622 NE ARG A 188 3.726 -9.777 -7.307 1.00 2.97 N ATOM 623 CZ ARG A 188 4.603 -10.537 -7.968 1.00 3.63 C ATOM 624 NH1 ARG A 188 5.748 -10.020 -8.407 1.00 3.90 N ATOM 625 NH2 ARG A 188 4.331 -11.820 -8.183 1.00 4.43 N ATOM 0 H ARG A 188 3.873 -9.758 -3.111 1.00 2.10 H new ATOM 0 HA ARG A 188 4.689 -10.795 -5.697 1.00 2.26 H new ATOM 0 HB2 ARG A 188 5.587 -8.455 -3.972 1.00 2.17 H new ATOM 0 HB3 ARG A 188 6.172 -8.776 -5.593 1.00 2.17 H new ATOM 0 HG2 ARG A 188 3.235 -8.350 -4.967 1.00 2.35 H new ATOM 0 HG3 ARG A 188 4.321 -7.031 -5.357 1.00 2.35 H new ATOM 0 HD2 ARG A 188 3.069 -7.791 -7.345 1.00 2.34 H new ATOM 0 HD3 ARG A 188 4.797 -7.997 -7.555 1.00 2.34 H new ATOM 0 HE ARG A 188 2.857 -10.211 -6.996 1.00 2.97 H new ATOM 0 HH11 ARG A 188 5.961 -9.037 -8.239 1.00 3.90 H new ATOM 0 HH12 ARG A 188 6.413 -10.607 -8.911 1.00 3.90 H new ATOM 0 HH21 ARG A 188 3.456 -12.220 -7.844 1.00 4.43 H new ATOM 0 HH22 ARG A 188 4.997 -12.405 -8.687 1.00 4.43 H new ATOM 639 N GLY A 189 6.282 -11.472 -3.034 1.00 2.21 N ATOM 640 CA GLY A 189 7.441 -12.122 -2.460 1.00 2.31 C ATOM 641 C GLY A 189 8.333 -11.129 -1.755 1.00 2.19 C ATOM 642 O GLY A 189 9.486 -11.425 -1.438 1.00 2.31 O ATOM 0 H GLY A 189 5.504 -11.340 -2.388 1.00 2.21 H new ATOM 0 HA2 GLY A 189 7.119 -12.889 -1.756 1.00 2.31 H new ATOM 0 HA3 GLY A 189 8.004 -12.626 -3.245 1.00 2.31 H new ATOM 646 N LEU A 190 7.798 -9.942 -1.513 1.00 1.98 N ATOM 647 CA LEU A 190 8.554 -8.874 -0.877 1.00 1.90 C ATOM 648 C LEU A 190 8.115 -8.701 0.567 1.00 1.80 C ATOM 649 O LEU A 190 7.160 -9.333 1.018 1.00 1.79 O ATOM 650 CB LEU A 190 8.383 -7.553 -1.637 1.00 1.80 C ATOM 651 CG LEU A 190 9.245 -7.387 -2.897 1.00 2.15 C ATOM 652 CD1 LEU A 190 8.801 -8.321 -4.008 1.00 2.28 C ATOM 653 CD2 LEU A 190 9.199 -5.953 -3.372 1.00 2.37 C ATOM 0 H LEU A 190 6.837 -9.693 -1.749 1.00 1.98 H new ATOM 0 HA LEU A 190 9.608 -9.150 -0.897 1.00 1.90 H new ATOM 0 HB2 LEU A 190 7.335 -7.453 -1.921 1.00 1.80 H new ATOM 0 HB3 LEU A 190 8.608 -6.733 -0.956 1.00 1.80 H new ATOM 0 HG LEU A 190 10.270 -7.648 -2.635 1.00 2.15 H new ATOM 0 HD11 LEU A 190 9.435 -8.174 -4.882 1.00 2.28 H new ATOM 0 HD12 LEU A 190 8.884 -9.354 -3.670 1.00 2.28 H new ATOM 0 HD13 LEU A 190 7.765 -8.107 -4.271 1.00 2.28 H new ATOM 0 HD21 LEU A 190 9.813 -5.846 -4.266 1.00 2.37 H new ATOM 0 HD22 LEU A 190 8.170 -5.679 -3.604 1.00 2.37 H new ATOM 0 HD23 LEU A 190 9.581 -5.298 -2.589 1.00 2.37 H new ATOM 665 N ILE A 191 8.820 -7.846 1.287 1.00 1.81 N ATOM 666 CA ILE A 191 8.535 -7.608 2.689 1.00 1.83 C ATOM 667 C ILE A 191 8.265 -6.129 2.951 1.00 1.70 C ATOM 668 O ILE A 191 8.917 -5.256 2.378 1.00 1.69 O ATOM 669 CB ILE A 191 9.704 -8.078 3.580 1.00 2.08 C ATOM 670 CG1 ILE A 191 10.996 -7.344 3.199 1.00 2.17 C ATOM 671 CG2 ILE A 191 9.882 -9.581 3.447 1.00 2.25 C ATOM 672 CD1 ILE A 191 12.173 -7.670 4.084 1.00 2.42 C ATOM 0 H ILE A 191 9.600 -7.302 0.919 1.00 1.81 H new ATOM 0 HA ILE A 191 7.643 -8.182 2.939 1.00 1.83 H new ATOM 0 HB ILE A 191 9.474 -7.843 4.619 1.00 2.08 H new ATOM 0 HG12 ILE A 191 11.251 -7.590 2.168 1.00 2.17 H new ATOM 0 HG13 ILE A 191 10.815 -6.270 3.234 1.00 2.17 H new ATOM 0 HG21 ILE A 191 10.709 -9.907 4.078 1.00 2.25 H new ATOM 0 HG22 ILE A 191 8.967 -10.085 3.759 1.00 2.25 H new ATOM 0 HG23 ILE A 191 10.098 -9.831 2.408 1.00 2.25 H new ATOM 0 HD11 ILE A 191 13.046 -7.111 3.748 1.00 2.42 H new ATOM 0 HD12 ILE A 191 11.941 -7.397 5.113 1.00 2.42 H new ATOM 0 HD13 ILE A 191 12.384 -8.738 4.031 1.00 2.42 H new ATOM 684 N PRO A 192 7.293 -5.835 3.824 1.00 1.68 N ATOM 685 CA PRO A 192 6.936 -4.457 4.186 1.00 1.62 C ATOM 686 C PRO A 192 7.998 -3.794 5.059 1.00 1.81 C ATOM 687 O PRO A 192 7.902 -2.614 5.388 1.00 1.84 O ATOM 688 CB PRO A 192 5.629 -4.620 4.965 1.00 1.67 C ATOM 689 CG PRO A 192 5.683 -6.000 5.520 1.00 1.84 C ATOM 690 CD PRO A 192 6.450 -6.825 4.521 1.00 1.78 C ATOM 0 HA PRO A 192 6.847 -3.816 3.309 1.00 1.62 H new ATOM 0 HB2 PRO A 192 5.547 -3.878 5.759 1.00 1.67 H new ATOM 0 HB3 PRO A 192 4.763 -4.489 4.316 1.00 1.67 H new ATOM 0 HG2 PRO A 192 6.175 -6.009 6.492 1.00 1.84 H new ATOM 0 HG3 PRO A 192 4.680 -6.400 5.667 1.00 1.84 H new ATOM 0 HD2 PRO A 192 7.053 -7.590 5.011 1.00 1.78 H new ATOM 0 HD3 PRO A 192 5.782 -7.340 3.830 1.00 1.78 H new ATOM 698 N GLU A 193 9.011 -4.566 5.426 1.00 2.01 N ATOM 699 CA GLU A 193 10.078 -4.080 6.287 1.00 2.24 C ATOM 700 C GLU A 193 10.937 -3.061 5.557 1.00 2.20 C ATOM 701 O GLU A 193 11.147 -1.944 6.029 1.00 2.35 O ATOM 702 CB GLU A 193 10.943 -5.245 6.704 1.00 2.47 C ATOM 703 CG GLU A 193 10.137 -6.400 7.238 1.00 2.64 C ATOM 704 CD GLU A 193 9.636 -6.178 8.648 1.00 2.94 C ATOM 705 OE1 GLU A 193 10.127 -6.866 9.568 1.00 3.24 O ATOM 706 OE2 GLU A 193 8.754 -5.320 8.847 1.00 3.32 O ATOM 0 H GLU A 193 9.116 -5.539 5.138 1.00 2.01 H new ATOM 0 HA GLU A 193 9.634 -3.603 7.160 1.00 2.24 H new ATOM 0 HB2 GLU A 193 11.531 -5.581 5.850 1.00 2.47 H new ATOM 0 HB3 GLU A 193 11.648 -4.915 7.467 1.00 2.47 H new ATOM 0 HG2 GLU A 193 9.285 -6.575 6.580 1.00 2.64 H new ATOM 0 HG3 GLU A 193 10.748 -7.302 7.215 1.00 2.64 H new ATOM 713 N CYS A 194 11.401 -3.454 4.380 1.00 2.09 N ATOM 714 CA CYS A 194 12.282 -2.613 3.578 1.00 2.14 C ATOM 715 C CYS A 194 11.512 -1.908 2.465 1.00 1.95 C ATOM 716 O CYS A 194 12.068 -1.579 1.419 1.00 2.06 O ATOM 717 CB CYS A 194 13.413 -3.457 2.985 1.00 2.29 C ATOM 718 SG CYS A 194 14.399 -4.331 4.222 1.00 2.85 S ATOM 0 H CYS A 194 11.181 -4.355 3.956 1.00 2.09 H new ATOM 0 HA CYS A 194 12.707 -1.848 4.229 1.00 2.14 H new ATOM 0 HB2 CYS A 194 12.987 -4.184 2.294 1.00 2.29 H new ATOM 0 HB3 CYS A 194 14.069 -2.810 2.402 1.00 2.29 H new ATOM 0 HG CYS A 194 15.329 -5.019 3.629 1.00 2.85 H new ATOM 724 N CYS A 195 10.232 -1.675 2.695 1.00 1.74 N ATOM 725 CA CYS A 195 9.402 -0.975 1.729 1.00 1.57 C ATOM 726 C CYS A 195 8.671 0.179 2.412 1.00 1.53 C ATOM 727 O CYS A 195 8.430 0.133 3.615 1.00 1.63 O ATOM 728 CB CYS A 195 8.409 -1.947 1.084 1.00 1.38 C ATOM 729 SG CYS A 195 9.190 -3.281 0.146 1.00 1.62 S ATOM 0 H CYS A 195 9.743 -1.961 3.544 1.00 1.74 H new ATOM 0 HA CYS A 195 10.035 -0.564 0.942 1.00 1.57 H new ATOM 0 HB2 CYS A 195 7.784 -2.382 1.864 1.00 1.38 H new ATOM 0 HB3 CYS A 195 7.748 -1.389 0.421 1.00 1.38 H new ATOM 0 HG CYS A 195 9.140 -4.383 0.835 1.00 1.62 H new ATOM 735 N ALA A 196 8.359 1.224 1.655 1.00 1.46 N ATOM 736 CA ALA A 196 7.679 2.396 2.196 1.00 1.48 C ATOM 737 C ALA A 196 6.376 2.645 1.479 1.00 1.27 C ATOM 738 O ALA A 196 6.240 2.318 0.314 1.00 1.25 O ATOM 739 CB ALA A 196 8.554 3.633 2.081 1.00 1.73 C ATOM 0 H ALA A 196 8.567 1.284 0.658 1.00 1.46 H new ATOM 0 HA ALA A 196 7.476 2.195 3.248 1.00 1.48 H new ATOM 0 HB1 ALA A 196 8.024 4.493 2.491 1.00 1.73 H new ATOM 0 HB2 ALA A 196 9.479 3.478 2.637 1.00 1.73 H new ATOM 0 HB3 ALA A 196 8.788 3.817 1.032 1.00 1.73 H new ATOM 745 N VAL A 197 5.424 3.245 2.152 1.00 1.22 N ATOM 746 CA VAL A 197 4.148 3.499 1.524 1.00 1.03 C ATOM 747 C VAL A 197 3.948 4.983 1.289 1.00 1.17 C ATOM 748 O VAL A 197 4.040 5.796 2.199 1.00 1.38 O ATOM 749 CB VAL A 197 2.985 2.906 2.337 1.00 0.96 C ATOM 750 CG1 VAL A 197 1.653 3.095 1.621 1.00 1.34 C ATOM 751 CG2 VAL A 197 3.251 1.442 2.584 1.00 1.38 C ATOM 0 H VAL A 197 5.504 3.562 3.118 1.00 1.22 H new ATOM 0 HA VAL A 197 4.154 2.999 0.556 1.00 1.03 H new ATOM 0 HB VAL A 197 2.918 3.432 3.289 1.00 0.96 H new ATOM 0 HG11 VAL A 197 0.852 2.665 2.223 1.00 1.34 H new ATOM 0 HG12 VAL A 197 1.466 4.159 1.475 1.00 1.34 H new ATOM 0 HG13 VAL A 197 1.687 2.597 0.652 1.00 1.34 H new ATOM 0 HG21 VAL A 197 2.430 1.015 3.160 1.00 1.38 H new ATOM 0 HG22 VAL A 197 3.334 0.921 1.630 1.00 1.38 H new ATOM 0 HG23 VAL A 197 4.181 1.330 3.141 1.00 1.38 H new ATOM 761 N TYR A 198 3.721 5.314 0.040 1.00 1.15 N ATOM 762 CA TYR A 198 3.491 6.677 -0.385 1.00 1.34 C ATOM 763 C TYR A 198 2.199 6.758 -1.161 1.00 1.26 C ATOM 764 O TYR A 198 1.733 5.756 -1.711 1.00 1.14 O ATOM 765 CB TYR A 198 4.604 7.141 -1.311 1.00 1.63 C ATOM 766 CG TYR A 198 5.789 7.783 -0.645 1.00 1.72 C ATOM 767 CD1 TYR A 198 5.950 9.151 -0.705 1.00 1.98 C ATOM 768 CD2 TYR A 198 6.763 7.030 -0.007 1.00 1.77 C ATOM 769 CE1 TYR A 198 7.045 9.766 -0.151 1.00 2.34 C ATOM 770 CE2 TYR A 198 7.866 7.634 0.562 1.00 2.18 C ATOM 771 CZ TYR A 198 8.004 9.005 0.486 1.00 2.48 C ATOM 772 OH TYR A 198 9.104 9.613 1.046 1.00 2.99 O ATOM 0 H TYR A 198 3.690 4.636 -0.721 1.00 1.15 H new ATOM 0 HA TYR A 198 3.453 7.304 0.506 1.00 1.34 H new ATOM 0 HB2 TYR A 198 4.955 6.283 -1.884 1.00 1.63 H new ATOM 0 HB3 TYR A 198 4.184 7.850 -2.024 1.00 1.63 H new ATOM 0 HD1 TYR A 198 5.199 9.751 -1.198 1.00 1.98 H new ATOM 0 HD2 TYR A 198 6.657 5.956 0.045 1.00 1.77 H new ATOM 0 HE1 TYR A 198 7.155 10.839 -0.213 1.00 2.34 H new ATOM 0 HE2 TYR A 198 8.615 7.038 1.063 1.00 2.18 H new ATOM 0 HH TYR A 198 9.680 8.934 1.455 1.00 2.99 H new ATOM 782 N ARG A 199 1.620 7.935 -1.221 1.00 1.43 N ATOM 783 CA ARG A 199 0.541 8.171 -2.137 1.00 1.48 C ATOM 784 C ARG A 199 0.637 9.567 -2.708 1.00 1.74 C ATOM 785 O ARG A 199 1.102 10.495 -2.042 1.00 1.91 O ATOM 786 CB ARG A 199 -0.803 7.902 -1.487 1.00 1.43 C ATOM 787 CG ARG A 199 -1.353 8.995 -0.602 1.00 1.49 C ATOM 788 CD ARG A 199 -0.467 9.405 0.562 1.00 1.54 C ATOM 789 NE ARG A 199 -1.122 10.429 1.376 1.00 1.88 N ATOM 790 CZ ARG A 199 -0.754 10.769 2.611 1.00 2.06 C ATOM 791 NH1 ARG A 199 0.305 10.205 3.177 1.00 2.20 N ATOM 792 NH2 ARG A 199 -1.433 11.695 3.269 1.00 2.64 N ATOM 0 H ARG A 199 1.880 8.737 -0.647 1.00 1.43 H new ATOM 0 HA ARG A 199 0.626 7.470 -2.967 1.00 1.48 H new ATOM 0 HB2 ARG A 199 -1.529 7.703 -2.275 1.00 1.43 H new ATOM 0 HB3 ARG A 199 -0.719 6.992 -0.893 1.00 1.43 H new ATOM 0 HG2 ARG A 199 -1.544 9.874 -1.217 1.00 1.49 H new ATOM 0 HG3 ARG A 199 -2.314 8.668 -0.206 1.00 1.49 H new ATOM 0 HD2 ARG A 199 -0.241 8.534 1.177 1.00 1.54 H new ATOM 0 HD3 ARG A 199 0.483 9.785 0.186 1.00 1.54 H new ATOM 0 HE ARG A 199 -1.919 10.919 0.969 1.00 1.88 H new ATOM 0 HH11 ARG A 199 0.844 9.506 2.667 1.00 2.20 H new ATOM 0 HH12 ARG A 199 0.580 10.471 4.123 1.00 2.20 H new ATOM 0 HH21 ARG A 199 -2.236 12.147 2.831 1.00 2.64 H new ATOM 0 HH22 ARG A 199 -1.154 11.957 4.214 1.00 2.64 H new ATOM 806 N ILE A 200 0.258 9.696 -3.959 1.00 1.86 N ATOM 807 CA ILE A 200 0.355 10.956 -4.650 1.00 2.14 C ATOM 808 C ILE A 200 -0.894 11.787 -4.403 1.00 2.23 C ATOM 809 O ILE A 200 -2.016 11.341 -4.658 1.00 2.21 O ATOM 810 CB ILE A 200 0.559 10.752 -6.165 1.00 2.31 C ATOM 811 CG1 ILE A 200 1.853 9.982 -6.424 1.00 2.35 C ATOM 812 CG2 ILE A 200 0.593 12.087 -6.891 1.00 2.60 C ATOM 813 CD1 ILE A 200 3.090 10.658 -5.894 1.00 2.31 C ATOM 0 H ILE A 200 -0.123 8.935 -4.521 1.00 1.86 H new ATOM 0 HA ILE A 200 1.224 11.485 -4.259 1.00 2.14 H new ATOM 0 HB ILE A 200 -0.282 10.174 -6.548 1.00 2.31 H new ATOM 0 HG12 ILE A 200 1.771 8.993 -5.972 1.00 2.35 H new ATOM 0 HG13 ILE A 200 1.966 9.833 -7.498 1.00 2.35 H new ATOM 0 HG21 ILE A 200 0.738 11.917 -7.958 1.00 2.60 H new ATOM 0 HG22 ILE A 200 -0.349 12.612 -6.732 1.00 2.60 H new ATOM 0 HG23 ILE A 200 1.414 12.690 -6.505 1.00 2.60 H new ATOM 0 HD11 ILE A 200 3.964 10.046 -6.119 1.00 2.31 H new ATOM 0 HD12 ILE A 200 3.200 11.635 -6.364 1.00 2.31 H new ATOM 0 HD13 ILE A 200 3.003 10.782 -4.815 1.00 2.31 H new ATOM 825 N GLN A 201 -0.692 12.977 -3.876 1.00 2.38 N ATOM 826 CA GLN A 201 -1.770 13.912 -3.661 1.00 2.53 C ATOM 827 C GLN A 201 -1.677 14.980 -4.741 1.00 2.80 C ATOM 828 O GLN A 201 -1.368 14.651 -5.883 1.00 2.86 O ATOM 829 CB GLN A 201 -1.680 14.524 -2.260 1.00 2.58 C ATOM 830 CG GLN A 201 -3.022 14.989 -1.721 1.00 2.68 C ATOM 831 CD GLN A 201 -2.944 15.491 -0.295 1.00 2.82 C ATOM 832 OE1 GLN A 201 -2.107 15.048 0.490 1.00 3.03 O ATOM 833 NE2 GLN A 201 -3.820 16.417 0.050 1.00 3.22 N ATOM 0 H GLN A 201 0.224 13.320 -3.586 1.00 2.38 H new ATOM 0 HA GLN A 201 -2.734 13.408 -3.723 1.00 2.53 H new ATOM 0 HB2 GLN A 201 -1.257 13.788 -1.576 1.00 2.58 H new ATOM 0 HB3 GLN A 201 -0.993 15.370 -2.284 1.00 2.58 H new ATOM 0 HG2 GLN A 201 -3.408 15.783 -2.360 1.00 2.68 H new ATOM 0 HG3 GLN A 201 -3.733 14.165 -1.772 1.00 2.68 H new ATOM 0 HE21 GLN A 201 -4.498 16.757 -0.632 1.00 3.22 H new ATOM 0 HE22 GLN A 201 -3.819 16.792 0.999 1.00 3.22 H new ATOM 842 N ASP A 202 -1.895 16.239 -4.376 1.00 2.99 N ATOM 843 CA ASP A 202 -1.899 17.358 -5.326 1.00 3.26 C ATOM 844 C ASP A 202 -0.604 17.434 -6.135 1.00 3.36 C ATOM 845 O ASP A 202 0.302 18.197 -5.799 1.00 3.48 O ATOM 846 CB ASP A 202 -2.069 18.662 -4.564 1.00 3.44 C ATOM 847 CG ASP A 202 -2.323 19.843 -5.482 1.00 3.72 C ATOM 848 OD1 ASP A 202 -1.364 20.581 -5.791 1.00 3.97 O ATOM 849 OD2 ASP A 202 -3.483 20.038 -5.902 1.00 4.02 O ATOM 0 H ASP A 202 -2.075 16.518 -3.412 1.00 2.99 H new ATOM 0 HA ASP A 202 -2.725 17.195 -6.019 1.00 3.26 H new ATOM 0 HB2 ASP A 202 -2.899 18.565 -3.865 1.00 3.44 H new ATOM 0 HB3 ASP A 202 -1.174 18.852 -3.972 1.00 3.44 H new ATOM 854 N GLY A 203 -0.522 16.628 -7.186 1.00 3.34 N ATOM 855 CA GLY A 203 0.647 16.600 -8.039 1.00 3.46 C ATOM 856 C GLY A 203 1.916 16.213 -7.303 1.00 3.33 C ATOM 857 O GLY A 203 3.009 16.297 -7.864 1.00 3.47 O ATOM 0 H GLY A 203 -1.261 15.982 -7.465 1.00 3.34 H new ATOM 0 HA2 GLY A 203 0.478 15.895 -8.853 1.00 3.46 H new ATOM 0 HA3 GLY A 203 0.782 17.583 -8.491 1.00 3.46 H new ATOM 861 N GLU A 204 1.792 15.787 -6.050 1.00 3.11 N ATOM 862 CA GLU A 204 2.967 15.556 -5.232 1.00 3.04 C ATOM 863 C GLU A 204 2.859 14.272 -4.429 1.00 2.75 C ATOM 864 O GLU A 204 1.868 13.562 -4.498 1.00 2.61 O ATOM 865 CB GLU A 204 3.147 16.736 -4.298 1.00 3.15 C ATOM 866 CG GLU A 204 2.087 16.807 -3.223 1.00 3.02 C ATOM 867 CD GLU A 204 2.261 18.004 -2.320 1.00 3.20 C ATOM 868 OE1 GLU A 204 3.275 18.069 -1.599 1.00 3.45 O ATOM 869 OE2 GLU A 204 1.378 18.884 -2.317 1.00 3.48 O ATOM 0 H GLU A 204 0.902 15.598 -5.588 1.00 3.11 H new ATOM 0 HA GLU A 204 3.830 15.452 -5.890 1.00 3.04 H new ATOM 0 HB2 GLU A 204 4.129 16.674 -3.829 1.00 3.15 H new ATOM 0 HB3 GLU A 204 3.129 17.658 -4.879 1.00 3.15 H new ATOM 0 HG2 GLU A 204 1.103 16.848 -3.690 1.00 3.02 H new ATOM 0 HG3 GLU A 204 2.119 15.896 -2.625 1.00 3.02 H new ATOM 876 N LYS A 205 3.887 14.004 -3.652 1.00 2.71 N ATOM 877 CA LYS A 205 3.972 12.789 -2.869 1.00 2.46 C ATOM 878 C LYS A 205 3.754 13.061 -1.398 1.00 2.42 C ATOM 879 O LYS A 205 4.277 14.024 -0.837 1.00 2.62 O ATOM 880 CB LYS A 205 5.335 12.144 -3.048 1.00 2.49 C ATOM 881 CG LYS A 205 5.642 11.800 -4.479 1.00 2.61 C ATOM 882 CD LYS A 205 7.052 11.279 -4.642 1.00 2.75 C ATOM 883 CE LYS A 205 7.285 10.034 -3.808 1.00 2.53 C ATOM 884 NZ LYS A 205 8.393 9.205 -4.359 1.00 2.70 N ATOM 0 H LYS A 205 4.690 14.624 -3.545 1.00 2.71 H new ATOM 0 HA LYS A 205 3.189 12.119 -3.223 1.00 2.46 H new ATOM 0 HB2 LYS A 205 6.102 12.820 -2.670 1.00 2.49 H new ATOM 0 HB3 LYS A 205 5.383 11.238 -2.444 1.00 2.49 H new ATOM 0 HG2 LYS A 205 4.934 11.050 -4.832 1.00 2.61 H new ATOM 0 HG3 LYS A 205 5.507 12.684 -5.102 1.00 2.61 H new ATOM 0 HD2 LYS A 205 7.239 11.055 -5.692 1.00 2.75 H new ATOM 0 HD3 LYS A 205 7.763 12.052 -4.350 1.00 2.75 H new ATOM 0 HE2 LYS A 205 7.519 10.321 -2.783 1.00 2.53 H new ATOM 0 HE3 LYS A 205 6.370 9.443 -3.772 1.00 2.53 H new ATOM 0 HZ1 LYS A 205 8.127 8.200 -4.321 1.00 2.70 H new ATOM 0 HZ2 LYS A 205 8.573 9.478 -5.346 1.00 2.70 H new ATOM 0 HZ3 LYS A 205 9.254 9.357 -3.795 1.00 2.70 H new ATOM 898 N LYS A 206 2.983 12.196 -0.791 1.00 2.19 N ATOM 899 CA LYS A 206 2.767 12.216 0.639 1.00 2.19 C ATOM 900 C LYS A 206 3.103 10.841 1.205 1.00 2.01 C ATOM 901 O LYS A 206 2.495 9.840 0.820 1.00 1.82 O ATOM 902 CB LYS A 206 1.316 12.577 0.961 1.00 2.17 C ATOM 903 CG LYS A 206 0.877 13.946 0.467 1.00 2.38 C ATOM 904 CD LYS A 206 1.704 15.058 1.084 1.00 2.68 C ATOM 905 CE LYS A 206 1.173 16.427 0.697 1.00 2.93 C ATOM 906 NZ LYS A 206 -0.151 16.709 1.311 1.00 3.25 N ATOM 0 H LYS A 206 2.482 11.451 -1.276 1.00 2.19 H new ATOM 0 HA LYS A 206 3.410 12.971 1.091 1.00 2.19 H new ATOM 0 HB2 LYS A 206 0.663 11.822 0.524 1.00 2.17 H new ATOM 0 HB3 LYS A 206 1.176 12.534 2.041 1.00 2.17 H new ATOM 0 HG2 LYS A 206 0.965 13.986 -0.619 1.00 2.38 H new ATOM 0 HG3 LYS A 206 -0.175 14.099 0.707 1.00 2.38 H new ATOM 0 HD2 LYS A 206 1.698 14.958 2.169 1.00 2.68 H new ATOM 0 HD3 LYS A 206 2.741 14.964 0.761 1.00 2.68 H new ATOM 0 HE2 LYS A 206 1.885 17.192 1.006 1.00 2.93 H new ATOM 0 HE3 LYS A 206 1.089 16.489 -0.388 1.00 2.93 H new ATOM 0 HZ1 LYS A 206 -0.374 17.719 1.206 1.00 3.25 H new ATOM 0 HZ2 LYS A 206 -0.882 16.142 0.836 1.00 3.25 H new ATOM 0 HZ3 LYS A 206 -0.125 16.463 2.321 1.00 3.25 H new ATOM 920 N PRO A 207 4.102 10.760 2.087 1.00 2.11 N ATOM 921 CA PRO A 207 4.506 9.493 2.686 1.00 2.00 C ATOM 922 C PRO A 207 3.527 9.025 3.758 1.00 1.97 C ATOM 923 O PRO A 207 3.053 9.812 4.579 1.00 2.17 O ATOM 924 CB PRO A 207 5.875 9.806 3.273 1.00 2.22 C ATOM 925 CG PRO A 207 5.836 11.263 3.586 1.00 2.47 C ATOM 926 CD PRO A 207 4.921 11.891 2.567 1.00 2.38 C ATOM 0 HA PRO A 207 4.527 8.676 1.965 1.00 2.00 H new ATOM 0 HB2 PRO A 207 6.065 9.215 4.169 1.00 2.22 H new ATOM 0 HB3 PRO A 207 6.670 9.576 2.564 1.00 2.22 H new ATOM 0 HG2 PRO A 207 5.467 11.434 4.597 1.00 2.47 H new ATOM 0 HG3 PRO A 207 6.834 11.699 3.533 1.00 2.47 H new ATOM 0 HD2 PRO A 207 4.304 12.672 3.011 1.00 2.38 H new ATOM 0 HD3 PRO A 207 5.483 12.352 1.754 1.00 2.38 H new ATOM 934 N ILE A 208 3.214 7.744 3.725 1.00 1.77 N ATOM 935 CA ILE A 208 2.208 7.174 4.601 1.00 1.77 C ATOM 936 C ILE A 208 2.842 6.424 5.769 1.00 1.91 C ATOM 937 O ILE A 208 3.966 5.926 5.673 1.00 1.91 O ATOM 938 CB ILE A 208 1.293 6.231 3.793 1.00 1.50 C ATOM 939 CG1 ILE A 208 0.580 7.033 2.705 1.00 1.41 C ATOM 940 CG2 ILE A 208 0.292 5.541 4.705 1.00 1.59 C ATOM 941 CD1 ILE A 208 0.120 6.208 1.527 1.00 1.18 C ATOM 0 H ILE A 208 3.648 7.071 3.093 1.00 1.77 H new ATOM 0 HA ILE A 208 1.616 7.989 5.017 1.00 1.77 H new ATOM 0 HB ILE A 208 1.898 5.455 3.324 1.00 1.50 H new ATOM 0 HG12 ILE A 208 -0.284 7.531 3.144 1.00 1.41 H new ATOM 0 HG13 ILE A 208 1.251 7.814 2.347 1.00 1.41 H new ATOM 0 HG21 ILE A 208 -0.343 4.881 4.115 1.00 1.59 H new ATOM 0 HG22 ILE A 208 0.825 4.957 5.455 1.00 1.59 H new ATOM 0 HG23 ILE A 208 -0.325 6.290 5.201 1.00 1.59 H new ATOM 0 HD11 ILE A 208 -0.376 6.854 0.802 1.00 1.18 H new ATOM 0 HD12 ILE A 208 0.981 5.731 1.059 1.00 1.18 H new ATOM 0 HD13 ILE A 208 -0.578 5.443 1.869 1.00 1.18 H new ATOM 953 N GLY A 209 2.112 6.362 6.872 1.00 2.07 N ATOM 954 CA GLY A 209 2.588 5.676 8.053 1.00 2.25 C ATOM 955 C GLY A 209 1.997 4.290 8.149 1.00 2.13 C ATOM 956 O GLY A 209 0.846 4.083 7.778 1.00 2.01 O ATOM 0 H GLY A 209 1.187 6.781 6.969 1.00 2.07 H new ATOM 0 HA2 GLY A 209 3.676 5.610 8.026 1.00 2.25 H new ATOM 0 HA3 GLY A 209 2.325 6.250 8.942 1.00 2.25 H new ATOM 960 N TRP A 210 2.765 3.345 8.662 1.00 2.20 N ATOM 961 CA TRP A 210 2.334 1.953 8.692 1.00 2.11 C ATOM 962 C TRP A 210 1.191 1.728 9.678 1.00 2.30 C ATOM 963 O TRP A 210 0.484 0.726 9.594 1.00 2.25 O ATOM 964 CB TRP A 210 3.509 1.039 9.026 1.00 2.18 C ATOM 965 CG TRP A 210 4.518 0.953 7.922 1.00 1.97 C ATOM 966 CD1 TRP A 210 5.721 1.593 7.854 1.00 2.05 C ATOM 967 CD2 TRP A 210 4.402 0.183 6.720 1.00 1.69 C ATOM 968 NE1 TRP A 210 6.365 1.257 6.686 1.00 1.86 N ATOM 969 CE2 TRP A 210 5.573 0.394 5.973 1.00 1.62 C ATOM 970 CE3 TRP A 210 3.422 -0.669 6.207 1.00 1.54 C ATOM 971 CZ2 TRP A 210 5.788 -0.216 4.740 1.00 1.40 C ATOM 972 CZ3 TRP A 210 3.638 -1.272 4.983 1.00 1.31 C ATOM 973 CH2 TRP A 210 4.813 -1.044 4.262 1.00 1.24 C ATOM 0 H TRP A 210 3.688 3.512 9.063 1.00 2.20 H new ATOM 0 HA TRP A 210 1.961 1.707 7.698 1.00 2.11 H new ATOM 0 HB2 TRP A 210 3.998 1.402 9.930 1.00 2.18 H new ATOM 0 HB3 TRP A 210 3.133 0.040 9.246 1.00 2.18 H new ATOM 0 HD1 TRP A 210 6.110 2.264 8.606 1.00 2.05 H new ATOM 0 HE1 TRP A 210 7.283 1.595 6.397 1.00 1.86 H new ATOM 0 HE3 TRP A 210 2.511 -0.853 6.757 1.00 1.54 H new ATOM 0 HZ2 TRP A 210 6.695 -0.040 4.181 1.00 1.40 H new ATOM 0 HZ3 TRP A 210 2.885 -1.931 4.576 1.00 1.31 H new ATOM 0 HH2 TRP A 210 4.953 -1.532 3.309 1.00 1.24 H new ATOM 984 N ASP A 211 0.997 2.668 10.593 1.00 2.54 N ATOM 985 CA ASP A 211 -0.039 2.563 11.595 1.00 2.76 C ATOM 986 C ASP A 211 -1.309 3.272 11.142 1.00 2.71 C ATOM 987 O ASP A 211 -2.286 3.360 11.889 1.00 2.92 O ATOM 988 CB ASP A 211 0.448 3.186 12.890 1.00 3.09 C ATOM 989 CG ASP A 211 0.544 4.696 12.810 1.00 3.39 C ATOM 990 OD1 ASP A 211 -0.360 5.384 13.326 1.00 3.79 O ATOM 991 OD2 ASP A 211 1.523 5.206 12.223 1.00 3.79 O ATOM 0 H ASP A 211 1.555 3.520 10.656 1.00 2.54 H new ATOM 0 HA ASP A 211 -0.266 1.508 11.748 1.00 2.76 H new ATOM 0 HB2 ASP A 211 -0.229 2.911 13.698 1.00 3.09 H new ATOM 0 HB3 ASP A 211 1.426 2.776 13.141 1.00 3.09 H new ATOM 996 N THR A 212 -1.288 3.773 9.923 1.00 2.44 N ATOM 997 CA THR A 212 -2.415 4.497 9.371 1.00 2.39 C ATOM 998 C THR A 212 -3.530 3.529 8.979 1.00 2.29 C ATOM 999 O THR A 212 -3.280 2.526 8.312 1.00 2.10 O ATOM 1000 CB THR A 212 -1.960 5.332 8.153 1.00 2.18 C ATOM 1001 OG1 THR A 212 -1.097 6.395 8.582 1.00 2.33 O ATOM 1002 CG2 THR A 212 -3.139 5.908 7.385 1.00 2.12 C ATOM 0 H THR A 212 -0.493 3.690 9.290 1.00 2.44 H new ATOM 0 HA THR A 212 -2.806 5.175 10.130 1.00 2.39 H new ATOM 0 HB THR A 212 -1.420 4.664 7.482 1.00 2.18 H new ATOM 0 HG1 THR A 212 -0.163 6.108 8.508 1.00 2.33 H new ATOM 0 HG21 THR A 212 -2.773 6.487 6.537 1.00 2.12 H new ATOM 0 HG22 THR A 212 -3.770 5.096 7.024 1.00 2.12 H new ATOM 0 HG23 THR A 212 -3.721 6.554 8.042 1.00 2.12 H new ATOM 1010 N ASP A 213 -4.745 3.806 9.442 1.00 2.46 N ATOM 1011 CA ASP A 213 -5.900 2.993 9.080 1.00 2.43 C ATOM 1012 C ASP A 213 -6.132 3.065 7.579 1.00 2.14 C ATOM 1013 O ASP A 213 -6.436 4.129 7.036 1.00 2.12 O ATOM 1014 CB ASP A 213 -7.148 3.459 9.831 1.00 2.70 C ATOM 1015 CG ASP A 213 -8.370 2.621 9.507 1.00 3.00 C ATOM 1016 OD1 ASP A 213 -8.626 1.628 10.225 1.00 3.38 O ATOM 1017 OD2 ASP A 213 -9.087 2.958 8.546 1.00 3.47 O ATOM 0 H ASP A 213 -4.955 4.585 10.067 1.00 2.46 H new ATOM 0 HA ASP A 213 -5.699 1.959 9.362 1.00 2.43 H new ATOM 0 HB2 ASP A 213 -6.958 3.419 10.904 1.00 2.70 H new ATOM 0 HB3 ASP A 213 -7.350 4.501 9.582 1.00 2.70 H new ATOM 1022 N ILE A 214 -5.981 1.931 6.915 1.00 1.95 N ATOM 1023 CA ILE A 214 -6.037 1.875 5.461 1.00 1.68 C ATOM 1024 C ILE A 214 -7.437 2.200 4.926 1.00 1.75 C ATOM 1025 O ILE A 214 -7.600 2.538 3.753 1.00 1.61 O ATOM 1026 CB ILE A 214 -5.552 0.499 4.939 1.00 1.51 C ATOM 1027 CG1 ILE A 214 -5.737 0.393 3.422 1.00 1.27 C ATOM 1028 CG2 ILE A 214 -6.270 -0.637 5.648 1.00 1.71 C ATOM 1029 CD1 ILE A 214 -5.353 -0.952 2.858 1.00 1.17 C ATOM 0 H ILE A 214 -5.817 1.029 7.363 1.00 1.95 H new ATOM 0 HA ILE A 214 -5.361 2.643 5.084 1.00 1.68 H new ATOM 0 HB ILE A 214 -4.488 0.415 5.158 1.00 1.51 H new ATOM 0 HG12 ILE A 214 -6.779 0.596 3.177 1.00 1.27 H new ATOM 0 HG13 ILE A 214 -5.139 1.165 2.937 1.00 1.27 H new ATOM 0 HG21 ILE A 214 -5.911 -1.591 5.263 1.00 1.71 H new ATOM 0 HG22 ILE A 214 -6.072 -0.580 6.718 1.00 1.71 H new ATOM 0 HG23 ILE A 214 -7.343 -0.555 5.472 1.00 1.71 H new ATOM 0 HD11 ILE A 214 -5.510 -0.953 1.779 1.00 1.17 H new ATOM 0 HD12 ILE A 214 -4.303 -1.150 3.071 1.00 1.17 H new ATOM 0 HD13 ILE A 214 -5.968 -1.727 3.315 1.00 1.17 H new ATOM 1041 N SER A 215 -8.440 2.161 5.790 1.00 2.01 N ATOM 1042 CA SER A 215 -9.801 2.426 5.358 1.00 2.14 C ATOM 1043 C SER A 215 -10.046 3.919 5.129 1.00 2.17 C ATOM 1044 O SER A 215 -11.078 4.308 4.580 1.00 2.27 O ATOM 1045 CB SER A 215 -10.804 1.842 6.350 1.00 2.43 C ATOM 1046 OG SER A 215 -10.893 0.444 6.179 1.00 2.91 O ATOM 0 H SER A 215 -8.338 1.951 6.783 1.00 2.01 H new ATOM 0 HA SER A 215 -9.946 1.931 4.398 1.00 2.14 H new ATOM 0 HB2 SER A 215 -10.496 2.073 7.370 1.00 2.43 H new ATOM 0 HB3 SER A 215 -11.783 2.298 6.201 1.00 2.43 H new ATOM 0 HG SER A 215 -11.102 0.242 5.243 1.00 2.91 H new ATOM 1052 N TRP A 216 -9.098 4.755 5.537 1.00 2.14 N ATOM 1053 CA TRP A 216 -9.139 6.172 5.189 1.00 2.20 C ATOM 1054 C TRP A 216 -8.595 6.369 3.781 1.00 1.97 C ATOM 1055 O TRP A 216 -8.960 7.308 3.075 1.00 2.05 O ATOM 1056 CB TRP A 216 -8.308 7.010 6.164 1.00 2.34 C ATOM 1057 CG TRP A 216 -8.845 7.042 7.560 1.00 2.73 C ATOM 1058 CD1 TRP A 216 -10.152 7.119 7.938 1.00 3.17 C ATOM 1059 CD2 TRP A 216 -8.077 7.026 8.766 1.00 3.19 C ATOM 1060 NE1 TRP A 216 -10.246 7.132 9.308 1.00 3.82 N ATOM 1061 CE2 TRP A 216 -8.983 7.079 9.839 1.00 3.89 C ATOM 1062 CE3 TRP A 216 -6.708 6.966 9.041 1.00 3.35 C ATOM 1063 CZ2 TRP A 216 -8.566 7.073 11.167 1.00 4.68 C ATOM 1064 CZ3 TRP A 216 -6.295 6.962 10.359 1.00 4.17 C ATOM 1065 CH2 TRP A 216 -7.220 7.015 11.407 1.00 4.80 C ATOM 0 H TRP A 216 -8.297 4.480 6.105 1.00 2.14 H new ATOM 0 HA TRP A 216 -10.177 6.501 5.244 1.00 2.20 H new ATOM 0 HB2 TRP A 216 -7.291 6.618 6.187 1.00 2.34 H new ATOM 0 HB3 TRP A 216 -8.247 8.031 5.787 1.00 2.34 H new ATOM 0 HD1 TRP A 216 -10.991 7.163 7.259 1.00 3.17 H new ATOM 0 HE1 TRP A 216 -11.113 7.174 9.843 1.00 3.82 H new ATOM 0 HE3 TRP A 216 -5.987 6.924 8.238 1.00 3.35 H new ATOM 0 HZ2 TRP A 216 -9.278 7.113 11.978 1.00 4.68 H new ATOM 0 HZ3 TRP A 216 -5.240 6.917 10.584 1.00 4.17 H new ATOM 0 HH2 TRP A 216 -6.864 7.010 12.427 1.00 4.80 H new ATOM 1076 N LEU A 217 -7.711 5.465 3.391 1.00 1.74 N ATOM 1077 CA LEU A 217 -7.002 5.548 2.131 1.00 1.56 C ATOM 1078 C LEU A 217 -7.780 4.890 0.996 1.00 1.52 C ATOM 1079 O LEU A 217 -7.270 4.770 -0.118 1.00 1.41 O ATOM 1080 CB LEU A 217 -5.624 4.893 2.283 1.00 1.37 C ATOM 1081 CG LEU A 217 -4.608 5.684 3.122 1.00 1.49 C ATOM 1082 CD1 LEU A 217 -5.093 5.905 4.542 1.00 2.13 C ATOM 1083 CD2 LEU A 217 -3.263 4.983 3.141 1.00 1.78 C ATOM 0 H LEU A 217 -7.465 4.646 3.948 1.00 1.74 H new ATOM 0 HA LEU A 217 -6.886 6.600 1.872 1.00 1.56 H new ATOM 0 HB2 LEU A 217 -5.756 3.910 2.735 1.00 1.37 H new ATOM 0 HB3 LEU A 217 -5.204 4.734 1.290 1.00 1.37 H new ATOM 0 HG LEU A 217 -4.497 6.660 2.649 1.00 1.49 H new ATOM 0 HD11 LEU A 217 -4.344 6.468 5.099 1.00 2.13 H new ATOM 0 HD12 LEU A 217 -6.028 6.465 4.524 1.00 2.13 H new ATOM 0 HD13 LEU A 217 -5.256 4.942 5.025 1.00 2.13 H new ATOM 0 HD21 LEU A 217 -2.560 5.561 3.741 1.00 1.78 H new ATOM 0 HD22 LEU A 217 -3.377 3.989 3.573 1.00 1.78 H new ATOM 0 HD23 LEU A 217 -2.884 4.895 2.123 1.00 1.78 H new ATOM 1095 N THR A 218 -9.005 4.453 1.276 1.00 1.67 N ATOM 1096 CA THR A 218 -9.867 3.911 0.237 1.00 1.73 C ATOM 1097 C THR A 218 -10.089 4.948 -0.860 1.00 1.80 C ATOM 1098 O THR A 218 -10.058 6.155 -0.606 1.00 1.87 O ATOM 1099 CB THR A 218 -11.237 3.503 0.786 1.00 1.96 C ATOM 1100 OG1 THR A 218 -11.110 3.015 2.129 1.00 2.01 O ATOM 1101 CG2 THR A 218 -11.864 2.431 -0.089 1.00 2.03 C ATOM 0 H THR A 218 -9.418 4.464 2.208 1.00 1.67 H new ATOM 0 HA THR A 218 -9.365 3.029 -0.160 1.00 1.73 H new ATOM 0 HB THR A 218 -11.881 4.383 0.784 1.00 1.96 H new ATOM 0 HG1 THR A 218 -11.187 3.763 2.757 1.00 2.01 H new ATOM 0 HG21 THR A 218 -12.837 2.153 0.316 1.00 2.03 H new ATOM 0 HG22 THR A 218 -11.989 2.815 -1.101 1.00 2.03 H new ATOM 0 HG23 THR A 218 -11.217 1.554 -0.111 1.00 2.03 H new ATOM 1109 N GLY A 219 -10.321 4.473 -2.067 1.00 1.85 N ATOM 1110 CA GLY A 219 -10.537 5.365 -3.187 1.00 2.01 C ATOM 1111 C GLY A 219 -9.243 5.872 -3.800 1.00 1.92 C ATOM 1112 O GLY A 219 -9.252 6.481 -4.869 1.00 2.12 O ATOM 0 H GLY A 219 -10.365 3.480 -2.296 1.00 1.85 H new ATOM 0 HA2 GLY A 219 -11.116 4.846 -3.951 1.00 2.01 H new ATOM 0 HA3 GLY A 219 -11.134 6.215 -2.857 1.00 2.01 H new ATOM 1116 N GLU A 220 -8.127 5.615 -3.130 1.00 1.70 N ATOM 1117 CA GLU A 220 -6.832 6.103 -3.582 1.00 1.64 C ATOM 1118 C GLU A 220 -5.993 4.976 -4.166 1.00 1.53 C ATOM 1119 O GLU A 220 -6.205 3.803 -3.855 1.00 1.46 O ATOM 1120 CB GLU A 220 -6.069 6.739 -2.416 1.00 1.55 C ATOM 1121 CG GLU A 220 -6.708 8.004 -1.868 1.00 1.91 C ATOM 1122 CD GLU A 220 -6.649 9.160 -2.844 1.00 2.14 C ATOM 1123 OE1 GLU A 220 -5.589 9.815 -2.938 1.00 2.60 O ATOM 1124 OE2 GLU A 220 -7.666 9.441 -3.508 1.00 2.61 O ATOM 0 H GLU A 220 -8.094 5.069 -2.269 1.00 1.70 H new ATOM 0 HA GLU A 220 -7.012 6.848 -4.357 1.00 1.64 H new ATOM 0 HB2 GLU A 220 -5.986 6.009 -1.610 1.00 1.55 H new ATOM 0 HB3 GLU A 220 -5.055 6.970 -2.743 1.00 1.55 H new ATOM 0 HG2 GLU A 220 -7.749 7.800 -1.615 1.00 1.91 H new ATOM 0 HG3 GLU A 220 -6.205 8.289 -0.944 1.00 1.91 H new ATOM 1131 N GLU A 221 -5.064 5.336 -5.034 1.00 1.59 N ATOM 1132 CA GLU A 221 -4.042 4.413 -5.491 1.00 1.54 C ATOM 1133 C GLU A 221 -2.750 4.726 -4.770 1.00 1.38 C ATOM 1134 O GLU A 221 -2.277 5.862 -4.779 1.00 1.49 O ATOM 1135 CB GLU A 221 -3.828 4.505 -7.004 1.00 1.83 C ATOM 1136 CG GLU A 221 -5.017 4.046 -7.832 1.00 2.05 C ATOM 1137 CD GLU A 221 -4.800 4.224 -9.321 1.00 2.55 C ATOM 1138 OE1 GLU A 221 -4.696 5.383 -9.781 1.00 3.04 O ATOM 1139 OE2 GLU A 221 -4.750 3.207 -10.043 1.00 3.06 O ATOM 0 H GLU A 221 -4.997 6.270 -5.439 1.00 1.59 H new ATOM 0 HA GLU A 221 -4.368 3.397 -5.270 1.00 1.54 H new ATOM 0 HB2 GLU A 221 -3.596 5.538 -7.264 1.00 1.83 H new ATOM 0 HB3 GLU A 221 -2.959 3.905 -7.274 1.00 1.83 H new ATOM 0 HG2 GLU A 221 -5.216 2.995 -7.622 1.00 2.05 H new ATOM 0 HG3 GLU A 221 -5.902 4.605 -7.529 1.00 2.05 H new ATOM 1146 N LEU A 222 -2.207 3.728 -4.123 1.00 1.15 N ATOM 1147 CA LEU A 222 -0.981 3.883 -3.376 1.00 1.01 C ATOM 1148 C LEU A 222 0.198 3.441 -4.221 1.00 1.13 C ATOM 1149 O LEU A 222 0.013 2.909 -5.310 1.00 1.30 O ATOM 1150 CB LEU A 222 -1.050 3.037 -2.110 1.00 0.74 C ATOM 1151 CG LEU A 222 -2.143 3.416 -1.107 1.00 0.82 C ATOM 1152 CD1 LEU A 222 -1.979 2.622 0.180 1.00 1.27 C ATOM 1153 CD2 LEU A 222 -2.127 4.903 -0.817 1.00 1.24 C ATOM 0 H LEU A 222 -2.599 2.787 -4.097 1.00 1.15 H new ATOM 0 HA LEU A 222 -0.853 4.932 -3.108 1.00 1.01 H new ATOM 0 HB2 LEU A 222 -1.196 1.996 -2.400 1.00 0.74 H new ATOM 0 HB3 LEU A 222 -0.086 3.095 -1.605 1.00 0.74 H new ATOM 0 HG LEU A 222 -3.108 3.170 -1.550 1.00 0.82 H new ATOM 0 HD11 LEU A 222 -2.763 2.903 0.883 1.00 1.27 H new ATOM 0 HD12 LEU A 222 -2.051 1.556 -0.038 1.00 1.27 H new ATOM 0 HD13 LEU A 222 -1.005 2.837 0.619 1.00 1.27 H new ATOM 0 HD21 LEU A 222 -2.914 5.143 -0.102 1.00 1.24 H new ATOM 0 HD22 LEU A 222 -1.160 5.182 -0.399 1.00 1.24 H new ATOM 0 HD23 LEU A 222 -2.296 5.456 -1.741 1.00 1.24 H new ATOM 1165 N HIS A 223 1.400 3.675 -3.728 1.00 1.13 N ATOM 1166 CA HIS A 223 2.600 3.157 -4.364 1.00 1.30 C ATOM 1167 C HIS A 223 3.694 2.986 -3.321 1.00 1.19 C ATOM 1168 O HIS A 223 3.881 3.847 -2.457 1.00 1.19 O ATOM 1169 CB HIS A 223 3.072 4.051 -5.521 1.00 1.64 C ATOM 1170 CG HIS A 223 3.510 5.429 -5.130 1.00 1.93 C ATOM 1171 ND1 HIS A 223 4.832 5.777 -4.971 1.00 2.62 N ATOM 1172 CD2 HIS A 223 2.798 6.562 -4.922 1.00 2.09 C ATOM 1173 CE1 HIS A 223 4.914 7.058 -4.691 1.00 3.31 C ATOM 1174 NE2 HIS A 223 3.696 7.568 -4.657 1.00 2.97 N ATOM 0 H HIS A 223 1.573 4.223 -2.885 1.00 1.13 H new ATOM 0 HA HIS A 223 2.364 2.186 -4.799 1.00 1.30 H new ATOM 0 HB2 HIS A 223 3.900 3.555 -6.027 1.00 1.64 H new ATOM 0 HB3 HIS A 223 2.262 4.137 -6.245 1.00 1.64 H new ATOM 0 HD1 HIS A 223 5.624 5.140 -5.057 1.00 2.62 H new ATOM 0 HD2 HIS A 223 1.723 6.657 -4.958 1.00 2.09 H new ATOM 0 HE1 HIS A 223 5.829 7.605 -4.517 1.00 3.31 H new ATOM 1183 N VAL A 224 4.389 1.869 -3.387 1.00 1.19 N ATOM 1184 CA VAL A 224 5.380 1.533 -2.383 1.00 1.14 C ATOM 1185 C VAL A 224 6.792 1.795 -2.891 1.00 1.40 C ATOM 1186 O VAL A 224 7.145 1.439 -4.017 1.00 1.58 O ATOM 1187 CB VAL A 224 5.228 0.065 -1.927 1.00 1.02 C ATOM 1188 CG1 VAL A 224 6.294 -0.323 -0.916 1.00 1.23 C ATOM 1189 CG2 VAL A 224 3.854 -0.146 -1.326 1.00 1.10 C ATOM 0 H VAL A 224 4.286 1.176 -4.128 1.00 1.19 H new ATOM 0 HA VAL A 224 5.209 2.178 -1.521 1.00 1.14 H new ATOM 0 HB VAL A 224 5.351 -0.570 -2.804 1.00 1.02 H new ATOM 0 HG11 VAL A 224 6.153 -1.362 -0.620 1.00 1.23 H new ATOM 0 HG12 VAL A 224 7.281 -0.204 -1.364 1.00 1.23 H new ATOM 0 HG13 VAL A 224 6.214 0.318 -0.038 1.00 1.23 H new ATOM 0 HG21 VAL A 224 3.752 -1.183 -1.006 1.00 1.10 H new ATOM 0 HG22 VAL A 224 3.728 0.513 -0.467 1.00 1.10 H new ATOM 0 HG23 VAL A 224 3.092 0.080 -2.072 1.00 1.10 H new ATOM 1199 N GLU A 225 7.593 2.403 -2.032 1.00 1.47 N ATOM 1200 CA GLU A 225 8.943 2.821 -2.372 1.00 1.74 C ATOM 1201 C GLU A 225 9.941 1.919 -1.666 1.00 1.75 C ATOM 1202 O GLU A 225 9.940 1.837 -0.444 1.00 1.70 O ATOM 1203 CB GLU A 225 9.167 4.262 -1.918 1.00 1.91 C ATOM 1204 CG GLU A 225 8.048 5.207 -2.304 1.00 1.95 C ATOM 1205 CD GLU A 225 7.962 5.473 -3.794 1.00 2.31 C ATOM 1206 OE1 GLU A 225 8.560 6.468 -4.254 1.00 2.72 O ATOM 1207 OE2 GLU A 225 7.282 4.711 -4.510 1.00 2.74 O ATOM 0 H GLU A 225 7.323 2.622 -1.073 1.00 1.47 H new ATOM 0 HA GLU A 225 9.079 2.754 -3.451 1.00 1.74 H new ATOM 0 HB2 GLU A 225 9.285 4.277 -0.835 1.00 1.91 H new ATOM 0 HB3 GLU A 225 10.101 4.626 -2.345 1.00 1.91 H new ATOM 0 HG2 GLU A 225 7.100 4.792 -1.963 1.00 1.95 H new ATOM 0 HG3 GLU A 225 8.188 6.154 -1.782 1.00 1.95 H new ATOM 1214 N VAL A 226 10.782 1.237 -2.414 1.00 1.95 N ATOM 1215 CA VAL A 226 11.738 0.326 -1.803 1.00 2.02 C ATOM 1216 C VAL A 226 12.827 1.081 -1.042 1.00 2.19 C ATOM 1217 O VAL A 226 13.622 1.818 -1.629 1.00 2.37 O ATOM 1218 CB VAL A 226 12.384 -0.632 -2.829 1.00 2.21 C ATOM 1219 CG1 VAL A 226 11.367 -1.641 -3.326 1.00 2.61 C ATOM 1220 CG2 VAL A 226 12.989 0.131 -4.000 1.00 2.56 C ATOM 0 H VAL A 226 10.827 1.291 -3.432 1.00 1.95 H new ATOM 0 HA VAL A 226 11.167 -0.277 -1.097 1.00 2.02 H new ATOM 0 HB VAL A 226 13.191 -1.163 -2.324 1.00 2.21 H new ATOM 0 HG11 VAL A 226 11.839 -2.308 -4.048 1.00 2.61 H new ATOM 0 HG12 VAL A 226 10.992 -2.224 -2.485 1.00 2.61 H new ATOM 0 HG13 VAL A 226 10.538 -1.118 -3.803 1.00 2.61 H new ATOM 0 HG21 VAL A 226 13.435 -0.574 -4.702 1.00 2.56 H new ATOM 0 HG22 VAL A 226 12.209 0.702 -4.504 1.00 2.56 H new ATOM 0 HG23 VAL A 226 13.757 0.812 -3.633 1.00 2.56 H new