USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 154 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0532) USER MOD Single : A 163 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 164 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.042) USER MOD Single : A 165 GLN : amide:sc=-0.00403 K(o=-0.004,f=-0.55) USER MOD Single : A 167 THR OG1 : rot 170:sc= 0 USER MOD Single : A 173 CYS SG : rot 180:sc=-0.00089 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 180 SER OG : rot 180:sc= -0.0892 USER MOD Single : A 182 LYS NZ :NH3+ 158:sc= 0.756 (180deg=-0.223!) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 MET CE :methyl -158:sc= -0.261 (180deg=-1.12) USER MOD Single : A 187 MET CE :methyl 163:sc= -0.133 (180deg=-0.593) USER MOD Single : A 194 CYS SG : rot -13:sc= 0.0242 USER MOD Single : A 195 CYS SG : rot 83:sc= -0.497 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 201 GLN : amide:sc= 0.527 K(o=0.53,f=-7.5!) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 LYS NZ :NH3+ -170:sc=-0.00297 (180deg=-0.0962) USER MOD Single : A 212 THR OG1 : rot 85:sc= 0.823 USER MOD Single : A 215 SER OG : rot 180:sc= 0 USER MOD Single : A 218 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 223 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 7.090 15.223 -7.534 1.00 23.41 N ATOM 115 CA LYS A 154 7.425 13.858 -7.121 1.00 10.41 C ATOM 116 C LYS A 154 6.272 12.879 -7.425 1.00 21.12 C ATOM 117 O LYS A 154 5.115 13.164 -7.112 1.00 5.52 O ATOM 118 CB LYS A 154 7.735 13.843 -5.615 1.00 53.50 C ATOM 119 CG LYS A 154 8.716 14.930 -5.180 1.00 33.34 C ATOM 120 CD LYS A 154 8.934 14.933 -3.669 1.00 41.05 C ATOM 121 CE LYS A 154 9.785 16.119 -3.222 1.00 55.43 C ATOM 122 NZ LYS A 154 11.125 16.134 -3.871 1.00 0.13 N ATOM 0 HA LYS A 154 8.299 13.534 -7.686 1.00 10.41 H new ATOM 0 HB2 LYS A 154 6.804 13.962 -5.060 1.00 53.50 H new ATOM 0 HB3 LYS A 154 8.143 12.869 -5.347 1.00 53.50 H new ATOM 0 HG2 LYS A 154 9.671 14.779 -5.684 1.00 33.34 H new ATOM 0 HG3 LYS A 154 8.340 15.904 -5.494 1.00 33.34 H new ATOM 0 HD2 LYS A 154 7.969 14.966 -3.163 1.00 41.05 H new ATOM 0 HD3 LYS A 154 9.419 14.004 -3.370 1.00 41.05 H new ATOM 0 HE2 LYS A 154 9.261 17.046 -3.455 1.00 55.43 H new ATOM 0 HE3 LYS A 154 9.909 16.086 -2.140 1.00 55.43 H new ATOM 0 HZ1 LYS A 154 11.695 16.907 -3.473 1.00 0.13 H new ATOM 0 HZ2 LYS A 154 11.604 15.227 -3.699 1.00 0.13 H new ATOM 0 HZ3 LYS A 154 11.013 16.278 -4.895 1.00 0.13 H new ATOM 136 N PRO A 155 6.570 11.715 -8.044 1.00 30.04 N ATOM 137 CA PRO A 155 5.553 10.677 -8.307 1.00 51.52 C ATOM 138 C PRO A 155 5.006 10.073 -7.004 1.00 12.11 C ATOM 139 O PRO A 155 5.769 9.765 -6.089 1.00 21.21 O ATOM 140 CB PRO A 155 6.318 9.623 -9.123 1.00 53.42 C ATOM 141 CG PRO A 155 7.753 9.835 -8.771 1.00 75.22 C ATOM 142 CD PRO A 155 7.905 11.315 -8.528 1.00 1.21 C ATOM 0 HA PRO A 155 4.680 11.072 -8.827 1.00 51.52 H new ATOM 0 HB2 PRO A 155 5.993 8.614 -8.869 1.00 53.42 H new ATOM 0 HB3 PRO A 155 6.150 9.752 -10.192 1.00 53.42 H new ATOM 0 HG2 PRO A 155 8.026 9.264 -7.884 1.00 75.22 H new ATOM 0 HG3 PRO A 155 8.406 9.503 -9.578 1.00 75.22 H new ATOM 0 HD2 PRO A 155 8.680 11.525 -7.791 1.00 1.21 H new ATOM 0 HD3 PRO A 155 8.179 11.847 -9.439 1.00 1.21 H new ATOM 150 N ILE A 156 3.688 9.899 -6.921 1.00 64.32 N ATOM 151 CA ILE A 156 3.043 9.467 -5.672 1.00 32.44 C ATOM 152 C ILE A 156 2.209 8.187 -5.837 1.00 51.35 C ATOM 153 O ILE A 156 1.833 7.807 -6.945 1.00 34.41 O ATOM 154 CB ILE A 156 2.121 10.576 -5.110 1.00 61.55 C ATOM 155 CG1 ILE A 156 0.998 10.904 -6.113 1.00 71.45 C ATOM 156 CG2 ILE A 156 2.927 11.827 -4.762 1.00 30.23 C ATOM 157 CD1 ILE A 156 -0.076 11.815 -5.556 1.00 2.25 C ATOM 0 H ILE A 156 3.044 10.049 -7.698 1.00 64.32 H new ATOM 0 HA ILE A 156 3.859 9.260 -4.980 1.00 32.44 H new ATOM 0 HB ILE A 156 1.661 10.209 -4.193 1.00 61.55 H new ATOM 0 HG12 ILE A 156 1.437 11.372 -6.994 1.00 71.45 H new ATOM 0 HG13 ILE A 156 0.536 9.974 -6.443 1.00 71.45 H new ATOM 0 HG21 ILE A 156 2.258 12.593 -4.369 1.00 30.23 H new ATOM 0 HG22 ILE A 156 3.677 11.579 -4.011 1.00 30.23 H new ATOM 0 HG23 ILE A 156 3.422 12.202 -5.658 1.00 30.23 H new ATOM 0 HD11 ILE A 156 -0.830 11.999 -6.321 1.00 2.25 H new ATOM 0 HD12 ILE A 156 -0.543 11.341 -4.693 1.00 2.25 H new ATOM 0 HD13 ILE A 156 0.371 12.762 -5.252 1.00 2.25 H new ATOM 169 N VAL A 157 1.927 7.529 -4.712 1.00 63.14 N ATOM 170 CA VAL A 157 1.043 6.357 -4.678 1.00 74.10 C ATOM 171 C VAL A 157 -0.067 6.551 -3.631 1.00 35.35 C ATOM 172 O VAL A 157 0.208 6.937 -2.494 1.00 21.13 O ATOM 173 CB VAL A 157 1.829 5.059 -4.356 1.00 12.12 C ATOM 174 CG1 VAL A 157 0.915 3.835 -4.417 1.00 63.53 C ATOM 175 CG2 VAL A 157 3.016 4.898 -5.304 1.00 4.34 C ATOM 0 H VAL A 157 2.302 7.790 -3.800 1.00 63.14 H new ATOM 0 HA VAL A 157 0.600 6.257 -5.669 1.00 74.10 H new ATOM 0 HB VAL A 157 2.213 5.140 -3.339 1.00 12.12 H new ATOM 0 HG11 VAL A 157 1.491 2.939 -4.187 1.00 63.53 H new ATOM 0 HG12 VAL A 157 0.110 3.945 -3.690 1.00 63.53 H new ATOM 0 HG13 VAL A 157 0.491 3.747 -5.417 1.00 63.53 H new ATOM 0 HG21 VAL A 157 3.554 3.982 -5.061 1.00 4.34 H new ATOM 0 HG22 VAL A 157 2.656 4.846 -6.332 1.00 4.34 H new ATOM 0 HG23 VAL A 157 3.686 5.751 -5.196 1.00 4.34 H new ATOM 185 N ARG A 158 -1.318 6.284 -4.017 1.00 73.45 N ATOM 186 CA ARG A 158 -2.469 6.507 -3.127 1.00 22.02 C ATOM 187 C ARG A 158 -2.952 5.197 -2.487 1.00 2.23 C ATOM 188 O ARG A 158 -3.592 4.374 -3.138 1.00 20.54 O ATOM 189 CB ARG A 158 -3.617 7.159 -3.911 1.00 0.41 C ATOM 190 CG ARG A 158 -3.250 8.505 -4.522 1.00 34.34 C ATOM 191 CD ARG A 158 -4.399 9.088 -5.339 1.00 62.10 C ATOM 192 NE ARG A 158 -4.035 10.359 -5.962 1.00 3.13 N ATOM 193 CZ ARG A 158 -3.928 10.540 -7.252 1.00 20.15 C ATOM 194 NH1 ARG A 158 -4.126 9.560 -8.076 1.00 62.44 N ATOM 195 NH2 ARG A 158 -3.607 11.703 -7.716 1.00 2.11 N ATOM 0 H ARG A 158 -1.563 5.914 -4.936 1.00 73.45 H new ATOM 0 HA ARG A 158 -2.148 7.172 -2.326 1.00 22.02 H new ATOM 0 HB2 ARG A 158 -3.934 6.483 -4.705 1.00 0.41 H new ATOM 0 HB3 ARG A 158 -4.471 7.292 -3.246 1.00 0.41 H new ATOM 0 HG2 ARG A 158 -2.977 9.202 -3.729 1.00 34.34 H new ATOM 0 HG3 ARG A 158 -2.373 8.388 -5.159 1.00 34.34 H new ATOM 0 HD2 ARG A 158 -4.693 8.377 -6.111 1.00 62.10 H new ATOM 0 HD3 ARG A 158 -5.265 9.235 -4.694 1.00 62.10 H new ATOM 0 HE ARG A 158 -3.853 11.155 -5.351 1.00 3.13 H new ATOM 0 HH11 ARG A 158 -4.368 8.635 -7.720 1.00 62.44 H new ATOM 0 HH12 ARG A 158 -4.040 9.713 -9.081 1.00 62.44 H new ATOM 0 HH21 ARG A 158 -3.437 12.479 -7.076 1.00 2.11 H new ATOM 0 HH22 ARG A 158 -3.523 11.845 -8.723 1.00 2.11 H new ATOM 209 N VAL A 159 -2.647 5.013 -1.207 1.00 54.54 N ATOM 210 CA VAL A 159 -3.034 3.798 -0.480 1.00 14.50 C ATOM 211 C VAL A 159 -4.294 4.023 0.377 1.00 63.52 C ATOM 212 O VAL A 159 -4.300 4.865 1.277 1.00 2.25 O ATOM 213 CB VAL A 159 -1.876 3.319 0.432 1.00 65.01 C ATOM 214 CG1 VAL A 159 -2.254 2.041 1.175 1.00 24.24 C ATOM 215 CG2 VAL A 159 -0.596 3.120 -0.381 1.00 72.33 C ATOM 0 H VAL A 159 -2.131 5.690 -0.645 1.00 54.54 H new ATOM 0 HA VAL A 159 -3.255 3.035 -1.226 1.00 14.50 H new ATOM 0 HB VAL A 159 -1.690 4.093 1.176 1.00 65.01 H new ATOM 0 HG11 VAL A 159 -1.423 1.728 1.807 1.00 24.24 H new ATOM 0 HG12 VAL A 159 -3.131 2.226 1.795 1.00 24.24 H new ATOM 0 HG13 VAL A 159 -2.478 1.254 0.455 1.00 24.24 H new ATOM 0 HG21 VAL A 159 0.205 2.784 0.278 1.00 72.33 H new ATOM 0 HG22 VAL A 159 -0.769 2.371 -1.154 1.00 72.33 H new ATOM 0 HG23 VAL A 159 -0.311 4.063 -0.847 1.00 72.33 H new ATOM 225 N PHE A 160 -5.360 3.271 0.090 1.00 21.52 N ATOM 226 CA PHE A 160 -6.605 3.356 0.867 1.00 13.20 C ATOM 227 C PHE A 160 -6.633 2.337 2.018 1.00 65.12 C ATOM 228 O PHE A 160 -6.694 1.123 1.800 1.00 30.24 O ATOM 229 CB PHE A 160 -7.825 3.165 -0.044 1.00 60.02 C ATOM 230 CG PHE A 160 -8.092 4.347 -0.947 1.00 4.43 C ATOM 231 CD1 PHE A 160 -8.878 5.405 -0.508 1.00 30.41 C ATOM 232 CD2 PHE A 160 -7.559 4.405 -2.227 1.00 61.10 C ATOM 233 CE1 PHE A 160 -9.124 6.493 -1.324 1.00 43.45 C ATOM 234 CE2 PHE A 160 -7.803 5.492 -3.045 1.00 33.14 C ATOM 235 CZ PHE A 160 -8.586 6.535 -2.595 1.00 63.30 C ATOM 0 H PHE A 160 -5.388 2.596 -0.674 1.00 21.52 H new ATOM 0 HA PHE A 160 -6.645 4.352 1.307 1.00 13.20 H new ATOM 0 HB2 PHE A 160 -7.676 2.276 -0.657 1.00 60.02 H new ATOM 0 HB3 PHE A 160 -8.705 2.983 0.573 1.00 60.02 H new ATOM 0 HD1 PHE A 160 -9.303 5.377 0.485 1.00 30.41 H new ATOM 0 HD2 PHE A 160 -6.947 3.592 -2.588 1.00 61.10 H new ATOM 0 HE1 PHE A 160 -9.736 7.309 -0.968 1.00 43.45 H new ATOM 0 HE2 PHE A 160 -7.380 5.525 -4.038 1.00 33.14 H new ATOM 0 HZ PHE A 160 -8.778 7.383 -3.236 1.00 63.30 H new ATOM 245 N LEU A 161 -6.610 2.857 3.242 1.00 2.34 N ATOM 246 CA LEU A 161 -6.593 2.037 4.457 1.00 74.11 C ATOM 247 C LEU A 161 -8.027 1.757 4.957 1.00 32.21 C ATOM 248 O LEU A 161 -8.989 2.336 4.450 1.00 31.54 O ATOM 249 CB LEU A 161 -5.777 2.760 5.544 1.00 3.32 C ATOM 250 CG LEU A 161 -4.315 3.070 5.177 1.00 22.31 C ATOM 251 CD1 LEU A 161 -3.628 3.842 6.302 1.00 0.52 C ATOM 252 CD2 LEU A 161 -3.553 1.785 4.857 1.00 4.11 C ATOM 0 H LEU A 161 -6.603 3.861 3.423 1.00 2.34 H new ATOM 0 HA LEU A 161 -6.129 1.077 4.229 1.00 74.11 H new ATOM 0 HB2 LEU A 161 -6.279 3.696 5.788 1.00 3.32 H new ATOM 0 HB3 LEU A 161 -5.785 2.149 6.447 1.00 3.32 H new ATOM 0 HG LEU A 161 -4.313 3.696 4.285 1.00 22.31 H new ATOM 0 HD11 LEU A 161 -2.595 4.051 6.022 1.00 0.52 H new ATOM 0 HD12 LEU A 161 -4.155 4.781 6.473 1.00 0.52 H new ATOM 0 HD13 LEU A 161 -3.643 3.246 7.214 1.00 0.52 H new ATOM 0 HD21 LEU A 161 -2.522 2.028 4.600 1.00 4.11 H new ATOM 0 HD22 LEU A 161 -3.565 1.128 5.727 1.00 4.11 H new ATOM 0 HD23 LEU A 161 -4.027 1.281 4.015 1.00 4.11 H new ATOM 264 N PRO A 162 -8.198 0.834 5.934 1.00 43.33 N ATOM 265 CA PRO A 162 -9.516 0.570 6.555 1.00 70.14 C ATOM 266 C PRO A 162 -10.183 1.833 7.144 1.00 72.44 C ATOM 267 O PRO A 162 -9.536 2.867 7.321 1.00 34.44 O ATOM 268 CB PRO A 162 -9.184 -0.434 7.672 1.00 21.31 C ATOM 269 CG PRO A 162 -7.932 -1.104 7.217 1.00 74.32 C ATOM 270 CD PRO A 162 -7.148 -0.050 6.483 1.00 61.23 C ATOM 0 HA PRO A 162 -10.235 0.204 5.822 1.00 70.14 H new ATOM 0 HB2 PRO A 162 -9.039 0.070 8.628 1.00 21.31 H new ATOM 0 HB3 PRO A 162 -9.991 -1.154 7.811 1.00 21.31 H new ATOM 0 HG2 PRO A 162 -7.367 -1.493 8.064 1.00 74.32 H new ATOM 0 HG3 PRO A 162 -8.155 -1.950 6.567 1.00 74.32 H new ATOM 0 HD2 PRO A 162 -6.476 0.490 7.151 1.00 61.23 H new ATOM 0 HD3 PRO A 162 -6.533 -0.483 5.694 1.00 61.23 H new ATOM 278 N ASN A 163 -11.483 1.733 7.441 1.00 61.35 N ATOM 279 CA ASN A 163 -12.269 2.861 7.978 1.00 21.34 C ATOM 280 C ASN A 163 -12.281 4.063 7.017 1.00 32.32 C ATOM 281 O ASN A 163 -12.420 5.213 7.446 1.00 73.35 O ATOM 282 CB ASN A 163 -11.741 3.293 9.354 1.00 61.03 C ATOM 283 CG ASN A 163 -11.815 2.186 10.391 1.00 34.22 C ATOM 284 OD1 ASN A 163 -12.770 1.286 10.251 1.00 72.24 O flip ATOM 285 ND2 ASN A 163 -11.025 2.148 11.327 1.00 73.44 N flip ATOM 0 H ASN A 163 -12.022 0.876 7.319 1.00 61.35 H new ATOM 0 HA ASN A 163 -13.295 2.509 8.087 1.00 21.34 H new ATOM 0 HB2 ASN A 163 -10.706 3.621 9.254 1.00 61.03 H new ATOM 0 HB3 ASN A 163 -12.315 4.151 9.704 1.00 61.03 H new ATOM 0 HD21 ASN A 163 -10.297 2.858 11.409 1.00 73.44 H new ATOM 0 HD22 ASN A 163 -11.095 1.407 12.024 1.00 73.44 H new ATOM 292 N LYS A 164 -12.159 3.779 5.718 1.00 54.33 N ATOM 293 CA LYS A 164 -12.176 4.809 4.668 1.00 13.34 C ATOM 294 C LYS A 164 -10.990 5.786 4.795 1.00 3.41 C ATOM 295 O LYS A 164 -11.044 6.912 4.291 1.00 61.30 O ATOM 296 CB LYS A 164 -13.512 5.575 4.698 1.00 1.31 C ATOM 297 CG LYS A 164 -14.736 4.681 4.494 1.00 72.25 C ATOM 298 CD LYS A 164 -16.040 5.452 4.680 1.00 53.15 C ATOM 299 CE LYS A 164 -16.204 6.572 3.653 1.00 61.45 C ATOM 300 NZ LYS A 164 -16.357 6.049 2.269 1.00 75.23 N ATOM 0 H LYS A 164 -12.046 2.830 5.361 1.00 54.33 H new ATOM 0 HA LYS A 164 -12.074 4.302 3.708 1.00 13.34 H new ATOM 0 HB2 LYS A 164 -13.604 6.090 5.654 1.00 1.31 H new ATOM 0 HB3 LYS A 164 -13.499 6.341 3.923 1.00 1.31 H new ATOM 0 HG2 LYS A 164 -14.708 4.250 3.493 1.00 72.25 H new ATOM 0 HG3 LYS A 164 -14.701 3.851 5.199 1.00 72.25 H new ATOM 0 HD2 LYS A 164 -16.881 4.763 4.600 1.00 53.15 H new ATOM 0 HD3 LYS A 164 -16.069 5.876 5.684 1.00 53.15 H new ATOM 0 HE2 LYS A 164 -17.076 7.174 3.910 1.00 61.45 H new ATOM 0 HE3 LYS A 164 -15.337 7.232 3.696 1.00 61.45 H new ATOM 0 HZ1 LYS A 164 -16.583 6.833 1.625 1.00 75.23 H new ATOM 0 HZ2 LYS A 164 -15.469 5.598 1.968 1.00 75.23 H new ATOM 0 HZ3 LYS A 164 -17.126 5.349 2.245 1.00 75.23 H new ATOM 314 N GLN A 165 -9.917 5.345 5.452 1.00 73.23 N ATOM 315 CA GLN A 165 -8.705 6.163 5.599 1.00 14.24 C ATOM 316 C GLN A 165 -7.812 6.056 4.352 1.00 35.33 C ATOM 317 O GLN A 165 -8.020 5.192 3.498 1.00 13.12 O ATOM 318 CB GLN A 165 -7.908 5.723 6.839 1.00 11.30 C ATOM 319 CG GLN A 165 -8.686 5.790 8.152 1.00 4.21 C ATOM 320 CD GLN A 165 -9.141 7.195 8.508 1.00 61.34 C ATOM 321 OE1 GLN A 165 -8.509 8.182 8.144 1.00 32.33 O ATOM 322 NE2 GLN A 165 -10.228 7.299 9.243 1.00 23.44 N ATOM 0 H GLN A 165 -9.859 4.427 5.892 1.00 73.23 H new ATOM 0 HA GLN A 165 -9.017 7.201 5.718 1.00 14.24 H new ATOM 0 HB2 GLN A 165 -7.562 4.700 6.688 1.00 11.30 H new ATOM 0 HB3 GLN A 165 -7.020 6.350 6.925 1.00 11.30 H new ATOM 0 HG2 GLN A 165 -9.558 5.139 8.084 1.00 4.21 H new ATOM 0 HG3 GLN A 165 -8.061 5.403 8.957 1.00 4.21 H new ATOM 0 HE21 GLN A 165 -10.732 6.460 9.530 1.00 23.44 H new ATOM 0 HE22 GLN A 165 -10.567 8.219 9.526 1.00 23.44 H new ATOM 331 N ARG A 166 -6.809 6.924 4.251 1.00 55.21 N ATOM 332 CA ARG A 166 -5.872 6.880 3.123 1.00 71.33 C ATOM 333 C ARG A 166 -4.523 7.529 3.466 1.00 14.34 C ATOM 334 O ARG A 166 -4.400 8.288 4.428 1.00 65.42 O ATOM 335 CB ARG A 166 -6.480 7.567 1.888 1.00 31.24 C ATOM 336 CG ARG A 166 -6.810 9.044 2.094 1.00 31.15 C ATOM 337 CD ARG A 166 -7.315 9.698 0.811 1.00 21.40 C ATOM 338 NE ARG A 166 -7.605 11.119 1.000 1.00 32.45 N ATOM 339 CZ ARG A 166 -7.350 12.048 0.118 1.00 21.22 C ATOM 340 NH1 ARG A 166 -6.799 11.751 -1.017 1.00 0.10 N ATOM 341 NH2 ARG A 166 -7.652 13.280 0.372 1.00 45.01 N ATOM 0 H ARG A 166 -6.622 7.663 4.929 1.00 55.21 H new ATOM 0 HA ARG A 166 -5.690 5.828 2.901 1.00 71.33 H new ATOM 0 HB2 ARG A 166 -5.784 7.474 1.055 1.00 31.24 H new ATOM 0 HB3 ARG A 166 -7.390 7.039 1.603 1.00 31.24 H new ATOM 0 HG2 ARG A 166 -7.566 9.142 2.873 1.00 31.15 H new ATOM 0 HG3 ARG A 166 -5.921 9.569 2.444 1.00 31.15 H new ATOM 0 HD2 ARG A 166 -6.568 9.581 0.026 1.00 21.40 H new ATOM 0 HD3 ARG A 166 -8.216 9.186 0.473 1.00 21.40 H new ATOM 0 HE ARG A 166 -8.035 11.404 1.880 1.00 32.45 H new ATOM 0 HH11 ARG A 166 -6.559 10.783 -1.230 1.00 0.10 H new ATOM 0 HH12 ARG A 166 -6.605 12.486 -1.697 1.00 0.10 H new ATOM 0 HH21 ARG A 166 -8.089 13.525 1.260 1.00 45.01 H new ATOM 0 HH22 ARG A 166 -7.453 14.006 -0.316 1.00 45.01 H new ATOM 355 N THR A 167 -3.512 7.209 2.668 1.00 40.44 N ATOM 356 CA THR A 167 -2.181 7.814 2.795 1.00 32.04 C ATOM 357 C THR A 167 -1.481 7.863 1.433 1.00 71.22 C ATOM 358 O THR A 167 -1.741 7.029 0.563 1.00 74.34 O ATOM 359 CB THR A 167 -1.285 7.045 3.799 1.00 51.20 C ATOM 360 OG1 THR A 167 0.015 7.656 3.875 1.00 20.12 O ATOM 361 CG2 THR A 167 -1.143 5.578 3.402 1.00 4.22 C ATOM 0 H THR A 167 -3.585 6.525 1.915 1.00 40.44 H new ATOM 0 HA THR A 167 -2.329 8.826 3.173 1.00 32.04 H new ATOM 0 HB THR A 167 -1.764 7.091 4.777 1.00 51.20 H new ATOM 0 HG1 THR A 167 0.516 7.267 4.622 1.00 20.12 H new ATOM 0 HG21 THR A 167 -0.509 5.065 4.125 1.00 4.22 H new ATOM 0 HG22 THR A 167 -2.127 5.109 3.385 1.00 4.22 H new ATOM 0 HG23 THR A 167 -0.692 5.511 2.412 1.00 4.22 H new ATOM 369 N VAL A 168 -0.606 8.843 1.242 1.00 44.52 N ATOM 370 CA VAL A 168 0.085 9.018 -0.040 1.00 44.42 C ATOM 371 C VAL A 168 1.607 9.099 0.149 1.00 33.52 C ATOM 372 O VAL A 168 2.116 9.998 0.821 1.00 14.24 O ATOM 373 CB VAL A 168 -0.413 10.292 -0.774 1.00 23.43 C ATOM 374 CG1 VAL A 168 0.296 10.460 -2.114 1.00 73.33 C ATOM 375 CG2 VAL A 168 -1.932 10.251 -0.966 1.00 31.34 C ATOM 0 H VAL A 168 -0.355 9.530 1.953 1.00 44.52 H new ATOM 0 HA VAL A 168 -0.146 8.143 -0.648 1.00 44.42 H new ATOM 0 HB VAL A 168 -0.172 11.155 -0.153 1.00 23.43 H new ATOM 0 HG11 VAL A 168 -0.070 11.359 -2.609 1.00 73.33 H new ATOM 0 HG12 VAL A 168 1.370 10.548 -1.949 1.00 73.33 H new ATOM 0 HG13 VAL A 168 0.096 9.593 -2.743 1.00 73.33 H new ATOM 0 HG21 VAL A 168 -2.258 11.154 -1.482 1.00 31.34 H new ATOM 0 HG22 VAL A 168 -2.200 9.377 -1.559 1.00 31.34 H new ATOM 0 HG23 VAL A 168 -2.420 10.193 0.007 1.00 31.34 H new ATOM 385 N VAL A 169 2.329 8.163 -0.465 1.00 23.34 N ATOM 386 CA VAL A 169 3.795 8.114 -0.367 1.00 60.30 C ATOM 387 C VAL A 169 4.456 8.233 -1.752 1.00 61.11 C ATOM 388 O VAL A 169 3.920 7.747 -2.749 1.00 55.31 O ATOM 389 CB VAL A 169 4.275 6.806 0.323 1.00 52.45 C ATOM 390 CG1 VAL A 169 3.785 6.748 1.768 1.00 60.32 C ATOM 391 CG2 VAL A 169 3.814 5.574 -0.458 1.00 51.23 C ATOM 0 H VAL A 169 1.924 7.423 -1.039 1.00 23.34 H new ATOM 0 HA VAL A 169 4.097 8.966 0.242 1.00 60.30 H new ATOM 0 HB VAL A 169 5.365 6.808 0.332 1.00 52.45 H new ATOM 0 HG11 VAL A 169 4.132 5.825 2.233 1.00 60.32 H new ATOM 0 HG12 VAL A 169 4.178 7.602 2.320 1.00 60.32 H new ATOM 0 HG13 VAL A 169 2.695 6.775 1.784 1.00 60.32 H new ATOM 0 HG21 VAL A 169 4.163 4.672 0.046 1.00 51.23 H new ATOM 0 HG22 VAL A 169 2.725 5.563 -0.510 1.00 51.23 H new ATOM 0 HG23 VAL A 169 4.225 5.608 -1.467 1.00 51.23 H new ATOM 401 N PRO A 170 5.623 8.907 -1.838 1.00 73.03 N ATOM 402 CA PRO A 170 6.374 9.041 -3.102 1.00 61.23 C ATOM 403 C PRO A 170 6.916 7.696 -3.626 1.00 12.44 C ATOM 404 O PRO A 170 7.519 6.918 -2.880 1.00 63.40 O ATOM 405 CB PRO A 170 7.537 9.988 -2.738 1.00 11.00 C ATOM 406 CG PRO A 170 7.127 10.635 -1.455 1.00 53.22 C ATOM 407 CD PRO A 170 6.296 9.610 -0.733 1.00 71.23 C ATOM 0 HA PRO A 170 5.738 9.414 -3.905 1.00 61.23 H new ATOM 0 HB2 PRO A 170 8.471 9.438 -2.621 1.00 11.00 H new ATOM 0 HB3 PRO A 170 7.700 10.730 -3.519 1.00 11.00 H new ATOM 0 HG2 PRO A 170 7.997 10.921 -0.864 1.00 53.22 H new ATOM 0 HG3 PRO A 170 6.555 11.544 -1.640 1.00 53.22 H new ATOM 0 HD2 PRO A 170 6.911 8.935 -0.138 1.00 71.23 H new ATOM 0 HD3 PRO A 170 5.582 10.073 -0.052 1.00 71.23 H new ATOM 415 N ALA A 171 6.708 7.438 -4.917 1.00 3.01 N ATOM 416 CA ALA A 171 7.155 6.194 -5.551 1.00 4.42 C ATOM 417 C ALA A 171 8.679 6.182 -5.763 1.00 72.22 C ATOM 418 O ALA A 171 9.227 7.018 -6.486 1.00 75.42 O ATOM 419 CB ALA A 171 6.426 5.991 -6.876 1.00 13.11 C ATOM 0 H ALA A 171 6.229 8.079 -5.550 1.00 3.01 H new ATOM 0 HA ALA A 171 6.913 5.368 -4.882 1.00 4.42 H new ATOM 0 HB1 ALA A 171 6.765 5.064 -7.339 1.00 13.11 H new ATOM 0 HB2 ALA A 171 5.352 5.935 -6.696 1.00 13.11 H new ATOM 0 HB3 ALA A 171 6.639 6.828 -7.541 1.00 13.11 H new ATOM 425 N ARG A 172 9.358 5.232 -5.117 1.00 0.12 N ATOM 426 CA ARG A 172 10.822 5.120 -5.187 1.00 45.44 C ATOM 427 C ARG A 172 11.255 3.680 -5.521 1.00 44.13 C ATOM 428 O ARG A 172 10.632 2.713 -5.077 1.00 41.24 O ATOM 429 CB ARG A 172 11.438 5.537 -3.840 1.00 72.34 C ATOM 430 CG ARG A 172 11.036 6.934 -3.374 1.00 43.04 C ATOM 431 CD ARG A 172 11.533 7.217 -1.957 1.00 10.22 C ATOM 432 NE ARG A 172 11.209 8.574 -1.521 1.00 20.15 N ATOM 433 CZ ARG A 172 10.519 8.861 -0.447 1.00 53.21 C ATOM 434 NH1 ARG A 172 10.098 7.926 0.343 1.00 22.31 N ATOM 435 NH2 ARG A 172 10.267 10.092 -0.153 1.00 11.15 N ATOM 0 H ARG A 172 8.915 4.522 -4.534 1.00 0.12 H new ATOM 0 HA ARG A 172 11.175 5.780 -5.980 1.00 45.44 H new ATOM 0 HB2 ARG A 172 11.144 4.814 -3.079 1.00 72.34 H new ATOM 0 HB3 ARG A 172 12.524 5.491 -3.920 1.00 72.34 H new ATOM 0 HG2 ARG A 172 11.443 7.678 -4.059 1.00 43.04 H new ATOM 0 HG3 ARG A 172 9.951 7.031 -3.406 1.00 43.04 H new ATOM 0 HD2 ARG A 172 11.088 6.499 -1.267 1.00 10.22 H new ATOM 0 HD3 ARG A 172 12.613 7.072 -1.916 1.00 10.22 H new ATOM 0 HE ARG A 172 11.543 9.350 -2.093 1.00 20.15 H new ATOM 0 HH11 ARG A 172 10.303 6.949 0.132 1.00 22.31 H new ATOM 0 HH12 ARG A 172 9.561 8.166 1.177 1.00 22.31 H new ATOM 0 HH21 ARG A 172 10.606 10.840 -0.758 1.00 11.15 H new ATOM 0 HH22 ARG A 172 9.729 10.317 0.684 1.00 11.15 H new ATOM 449 N CYS A 173 12.320 3.540 -6.309 1.00 41.14 N ATOM 450 CA CYS A 173 12.894 2.221 -6.610 1.00 74.23 C ATOM 451 C CYS A 173 13.767 1.733 -5.447 1.00 24.21 C ATOM 452 O CYS A 173 14.473 2.523 -4.817 1.00 41.14 O ATOM 453 CB CYS A 173 13.725 2.267 -7.898 1.00 14.45 C ATOM 454 SG CYS A 173 14.433 0.672 -8.377 1.00 64.12 S ATOM 0 H CYS A 173 12.805 4.320 -6.752 1.00 41.14 H new ATOM 0 HA CYS A 173 12.069 1.523 -6.751 1.00 74.23 H new ATOM 0 HB2 CYS A 173 13.097 2.632 -8.710 1.00 14.45 H new ATOM 0 HB3 CYS A 173 14.533 2.988 -7.771 1.00 14.45 H new ATOM 0 HG CYS A 173 15.114 0.812 -9.475 1.00 64.12 H new ATOM 460 N GLY A 174 13.700 0.435 -5.148 1.00 15.14 N ATOM 461 CA GLY A 174 14.435 -0.117 -4.013 1.00 14.43 C ATOM 462 C GLY A 174 13.628 -0.065 -2.720 1.00 22.34 C ATOM 463 O GLY A 174 13.850 -0.852 -1.798 1.00 50.13 O ATOM 0 H GLY A 174 13.150 -0.246 -5.671 1.00 15.14 H new ATOM 0 HA2 GLY A 174 14.707 -1.150 -4.227 1.00 14.43 H new ATOM 0 HA3 GLY A 174 15.365 0.437 -3.881 1.00 14.43 H new ATOM 467 N VAL A 175 12.687 0.875 -2.656 1.00 54.21 N ATOM 468 CA VAL A 175 11.792 1.010 -1.509 1.00 43.04 C ATOM 469 C VAL A 175 10.548 0.129 -1.679 1.00 73.13 C ATOM 470 O VAL A 175 9.763 0.314 -2.612 1.00 12.41 O ATOM 471 CB VAL A 175 11.352 2.483 -1.312 1.00 22.33 C ATOM 472 CG1 VAL A 175 10.426 2.624 -0.105 1.00 32.41 C ATOM 473 CG2 VAL A 175 12.570 3.393 -1.172 1.00 73.01 C ATOM 0 H VAL A 175 12.524 1.561 -3.393 1.00 54.21 H new ATOM 0 HA VAL A 175 12.345 0.685 -0.628 1.00 43.04 H new ATOM 0 HB VAL A 175 10.794 2.790 -2.197 1.00 22.33 H new ATOM 0 HG11 VAL A 175 10.133 3.668 0.009 1.00 32.41 H new ATOM 0 HG12 VAL A 175 9.537 2.012 -0.255 1.00 32.41 H new ATOM 0 HG13 VAL A 175 10.947 2.293 0.794 1.00 32.41 H new ATOM 0 HG21 VAL A 175 12.241 4.423 -1.035 1.00 73.01 H new ATOM 0 HG22 VAL A 175 13.159 3.082 -0.309 1.00 73.01 H new ATOM 0 HG23 VAL A 175 13.181 3.324 -2.072 1.00 73.01 H new ATOM 483 N THR A 176 10.375 -0.829 -0.780 1.00 43.42 N ATOM 484 CA THR A 176 9.231 -1.741 -0.838 1.00 3.23 C ATOM 485 C THR A 176 7.970 -1.088 -0.261 1.00 75.43 C ATOM 486 O THR A 176 8.053 -0.151 0.536 1.00 41.30 O ATOM 487 CB THR A 176 9.507 -3.047 -0.058 1.00 74.14 C ATOM 488 OG1 THR A 176 9.589 -2.772 1.352 1.00 52.42 O ATOM 489 CG2 THR A 176 10.803 -3.705 -0.533 1.00 44.14 C ATOM 0 H THR A 176 11.010 -0.999 0.000 1.00 43.42 H new ATOM 0 HA THR A 176 9.074 -1.975 -1.891 1.00 3.23 H new ATOM 0 HB THR A 176 8.682 -3.735 -0.245 1.00 74.14 H new ATOM 0 HG1 THR A 176 9.762 -3.605 1.838 1.00 52.42 H new ATOM 0 HG21 THR A 176 10.974 -4.622 0.032 1.00 44.14 H new ATOM 0 HG22 THR A 176 10.723 -3.942 -1.594 1.00 44.14 H new ATOM 0 HG23 THR A 176 11.637 -3.021 -0.376 1.00 44.14 H new ATOM 497 N VAL A 177 6.802 -1.585 -0.668 1.00 43.32 N ATOM 498 CA VAL A 177 5.523 -1.129 -0.102 1.00 25.11 C ATOM 499 C VAL A 177 5.524 -1.269 1.431 1.00 23.41 C ATOM 500 O VAL A 177 4.911 -0.479 2.151 1.00 65.03 O ATOM 501 CB VAL A 177 4.331 -1.939 -0.690 1.00 64.21 C ATOM 502 CG1 VAL A 177 2.994 -1.416 -0.165 1.00 5.44 C ATOM 503 CG2 VAL A 177 4.362 -1.918 -2.220 1.00 21.41 C ATOM 0 H VAL A 177 6.710 -2.303 -1.387 1.00 43.32 H new ATOM 0 HA VAL A 177 5.404 -0.079 -0.368 1.00 25.11 H new ATOM 0 HB VAL A 177 4.436 -2.973 -0.361 1.00 64.21 H new ATOM 0 HG11 VAL A 177 2.181 -2.002 -0.594 1.00 5.44 H new ATOM 0 HG12 VAL A 177 2.971 -1.503 0.921 1.00 5.44 H new ATOM 0 HG13 VAL A 177 2.876 -0.370 -0.448 1.00 5.44 H new ATOM 0 HG21 VAL A 177 3.520 -2.490 -2.609 1.00 21.41 H new ATOM 0 HG22 VAL A 177 4.294 -0.888 -2.571 1.00 21.41 H new ATOM 0 HG23 VAL A 177 5.294 -2.360 -2.571 1.00 21.41 H new ATOM 513 N ARG A 178 6.241 -2.277 1.911 1.00 35.22 N ATOM 514 CA ARG A 178 6.357 -2.554 3.340 1.00 33.32 C ATOM 515 C ARG A 178 7.196 -1.481 4.059 1.00 3.24 C ATOM 516 O ARG A 178 6.928 -1.129 5.209 1.00 71.32 O ATOM 517 CB ARG A 178 6.991 -3.939 3.532 1.00 50.34 C ATOM 518 CG ARG A 178 6.833 -4.497 4.938 1.00 74.23 C ATOM 519 CD ARG A 178 7.413 -5.906 5.076 1.00 20.34 C ATOM 520 NE ARG A 178 8.688 -6.076 4.375 1.00 15.15 N ATOM 521 CZ ARG A 178 9.866 -5.965 4.929 1.00 42.12 C ATOM 522 NH1 ARG A 178 9.989 -5.611 6.167 1.00 3.13 N ATOM 523 NH2 ARG A 178 10.924 -6.217 4.231 1.00 31.23 N ATOM 0 H ARG A 178 6.760 -2.927 1.321 1.00 35.22 H new ATOM 0 HA ARG A 178 5.360 -2.536 3.779 1.00 33.32 H new ATOM 0 HB2 ARG A 178 6.543 -4.635 2.823 1.00 50.34 H new ATOM 0 HB3 ARG A 178 8.053 -3.879 3.292 1.00 50.34 H new ATOM 0 HG2 ARG A 178 7.327 -3.833 5.647 1.00 74.23 H new ATOM 0 HG3 ARG A 178 5.776 -4.515 5.202 1.00 74.23 H new ATOM 0 HD2 ARG A 178 7.554 -6.132 6.133 1.00 20.34 H new ATOM 0 HD3 ARG A 178 6.694 -6.628 4.689 1.00 20.34 H new ATOM 0 HE ARG A 178 8.654 -6.298 3.380 1.00 15.15 H new ATOM 0 HH11 ARG A 178 9.159 -5.414 6.726 1.00 3.13 H new ATOM 0 HH12 ARG A 178 10.916 -5.529 6.584 1.00 3.13 H new ATOM 0 HH21 ARG A 178 10.836 -6.500 3.255 1.00 31.23 H new ATOM 0 HH22 ARG A 178 11.847 -6.133 4.656 1.00 31.23 H new ATOM 537 N ASP A 179 8.214 -0.971 3.369 1.00 25.11 N ATOM 538 CA ASP A 179 9.095 0.064 3.924 1.00 62.21 C ATOM 539 C ASP A 179 8.463 1.467 3.832 1.00 12.21 C ATOM 540 O ASP A 179 8.527 2.251 4.779 1.00 12.21 O ATOM 541 CB ASP A 179 10.442 0.044 3.188 1.00 24.40 C ATOM 542 CG ASP A 179 11.400 1.105 3.700 1.00 22.14 C ATOM 543 OD1 ASP A 179 12.008 0.899 4.771 1.00 4.43 O ATOM 544 OD2 ASP A 179 11.530 2.164 3.053 1.00 11.43 O ATOM 0 H ASP A 179 8.453 -1.257 2.420 1.00 25.11 H new ATOM 0 HA ASP A 179 9.248 -0.157 4.980 1.00 62.21 H new ATOM 0 HB2 ASP A 179 10.899 -0.939 3.301 1.00 24.40 H new ATOM 0 HB3 ASP A 179 10.272 0.196 2.122 1.00 24.40 H new ATOM 549 N SER A 180 7.857 1.774 2.691 1.00 3.41 N ATOM 550 CA SER A 180 7.270 3.105 2.451 1.00 32.20 C ATOM 551 C SER A 180 6.153 3.431 3.456 1.00 71.34 C ATOM 552 O SER A 180 6.147 4.494 4.079 1.00 12.41 O ATOM 553 CB SER A 180 6.713 3.192 1.025 1.00 32.33 C ATOM 554 OG SER A 180 5.690 2.230 0.811 1.00 32.43 O ATOM 0 H SER A 180 7.755 1.125 1.911 1.00 3.41 H new ATOM 0 HA SER A 180 8.068 3.836 2.582 1.00 32.20 H new ATOM 0 HB2 SER A 180 6.318 4.192 0.847 1.00 32.33 H new ATOM 0 HB3 SER A 180 7.518 3.035 0.307 1.00 32.33 H new ATOM 0 HG SER A 180 5.353 2.310 -0.106 1.00 32.43 H new ATOM 560 N LEU A 181 5.216 2.501 3.618 1.00 34.25 N ATOM 561 CA LEU A 181 4.055 2.708 4.493 1.00 4.21 C ATOM 562 C LEU A 181 4.374 2.467 5.985 1.00 3.33 C ATOM 563 O LEU A 181 3.458 2.376 6.804 1.00 1.30 O ATOM 564 CB LEU A 181 2.903 1.789 4.053 1.00 52.24 C ATOM 565 CG LEU A 181 2.418 1.992 2.608 1.00 73.02 C ATOM 566 CD1 LEU A 181 1.303 1.004 2.269 1.00 12.24 C ATOM 567 CD2 LEU A 181 1.954 3.432 2.389 1.00 30.13 C ATOM 0 H LEU A 181 5.234 1.592 3.155 1.00 34.25 H new ATOM 0 HA LEU A 181 3.765 3.754 4.395 1.00 4.21 H new ATOM 0 HB2 LEU A 181 3.221 0.753 4.170 1.00 52.24 H new ATOM 0 HB3 LEU A 181 2.060 1.942 4.727 1.00 52.24 H new ATOM 0 HG LEU A 181 3.256 1.801 1.937 1.00 73.02 H new ATOM 0 HD11 LEU A 181 0.974 1.165 1.242 1.00 12.24 H new ATOM 0 HD12 LEU A 181 1.675 -0.015 2.376 1.00 12.24 H new ATOM 0 HD13 LEU A 181 0.463 1.157 2.947 1.00 12.24 H new ATOM 0 HD21 LEU A 181 1.615 3.553 1.360 1.00 30.13 H new ATOM 0 HD22 LEU A 181 1.133 3.657 3.070 1.00 30.13 H new ATOM 0 HD23 LEU A 181 2.782 4.114 2.581 1.00 30.13 H new ATOM 579 N LYS A 182 5.664 2.403 6.342 1.00 20.24 N ATOM 580 CA LYS A 182 6.072 2.115 7.728 1.00 14.02 C ATOM 581 C LYS A 182 5.400 3.064 8.746 1.00 3.40 C ATOM 582 O LYS A 182 4.843 2.617 9.751 1.00 1.13 O ATOM 583 CB LYS A 182 7.607 2.176 7.876 1.00 44.35 C ATOM 584 CG LYS A 182 8.221 3.550 7.594 1.00 73.41 C ATOM 585 CD LYS A 182 9.685 3.621 8.033 1.00 61.30 C ATOM 586 CE LYS A 182 10.596 2.722 7.202 1.00 60.32 C ATOM 587 NZ LYS A 182 10.763 3.225 5.813 1.00 72.32 N ATOM 0 H LYS A 182 6.440 2.546 5.696 1.00 20.24 H new ATOM 0 HA LYS A 182 5.735 1.103 7.950 1.00 14.02 H new ATOM 0 HB2 LYS A 182 7.873 1.875 8.889 1.00 44.35 H new ATOM 0 HB3 LYS A 182 8.053 1.447 7.199 1.00 44.35 H new ATOM 0 HG2 LYS A 182 8.151 3.767 6.528 1.00 73.41 H new ATOM 0 HG3 LYS A 182 7.648 4.318 8.114 1.00 73.41 H new ATOM 0 HD2 LYS A 182 10.032 4.651 7.958 1.00 61.30 H new ATOM 0 HD3 LYS A 182 9.759 3.335 9.082 1.00 61.30 H new ATOM 0 HE2 LYS A 182 11.572 2.653 7.682 1.00 60.32 H new ATOM 0 HE3 LYS A 182 10.183 1.714 7.175 1.00 60.32 H new ATOM 0 HZ1 LYS A 182 11.637 2.836 5.406 1.00 72.32 H new ATOM 0 HZ2 LYS A 182 9.950 2.928 5.236 1.00 72.32 H new ATOM 0 HZ3 LYS A 182 10.818 4.263 5.824 1.00 72.32 H new ATOM 601 N LYS A 183 5.434 4.372 8.477 1.00 5.10 N ATOM 602 CA LYS A 183 4.836 5.353 9.393 1.00 63.52 C ATOM 603 C LYS A 183 3.309 5.416 9.225 1.00 4.45 C ATOM 604 O LYS A 183 2.581 5.703 10.177 1.00 62.15 O ATOM 605 CB LYS A 183 5.453 6.749 9.190 1.00 64.24 C ATOM 606 CG LYS A 183 5.175 7.382 7.827 1.00 52.11 C ATOM 607 CD LYS A 183 5.703 8.816 7.761 1.00 32.13 C ATOM 608 CE LYS A 183 5.388 9.492 6.431 1.00 24.11 C ATOM 609 NZ LYS A 183 5.835 10.911 6.412 1.00 44.42 N ATOM 0 H LYS A 183 5.863 4.775 7.644 1.00 5.10 H new ATOM 0 HA LYS A 183 5.054 5.024 10.409 1.00 63.52 H new ATOM 0 HB2 LYS A 183 5.076 7.414 9.967 1.00 64.24 H new ATOM 0 HB3 LYS A 183 6.532 6.677 9.328 1.00 64.24 H new ATOM 0 HG2 LYS A 183 5.642 6.784 7.044 1.00 52.11 H new ATOM 0 HG3 LYS A 183 4.102 7.378 7.634 1.00 52.11 H new ATOM 0 HD2 LYS A 183 5.268 9.398 8.573 1.00 32.13 H new ATOM 0 HD3 LYS A 183 6.782 8.810 7.916 1.00 32.13 H new ATOM 0 HE2 LYS A 183 5.875 8.947 5.622 1.00 24.11 H new ATOM 0 HE3 LYS A 183 4.315 9.447 6.246 1.00 24.11 H new ATOM 0 HZ1 LYS A 183 5.603 11.336 5.491 1.00 44.42 H new ATOM 0 HZ2 LYS A 183 5.352 11.437 7.168 1.00 44.42 H new ATOM 0 HZ3 LYS A 183 6.863 10.953 6.564 1.00 44.42 H new ATOM 623 N ALA A 184 2.831 5.136 8.010 1.00 50.14 N ATOM 624 CA ALA A 184 1.392 5.148 7.716 1.00 34.21 C ATOM 625 C ALA A 184 0.643 4.082 8.532 1.00 24.24 C ATOM 626 O ALA A 184 -0.410 4.348 9.113 1.00 52.10 O ATOM 627 CB ALA A 184 1.158 4.932 6.225 1.00 23.11 C ATOM 0 H ALA A 184 3.419 4.898 7.211 1.00 50.14 H new ATOM 0 HA ALA A 184 1.000 6.124 8.002 1.00 34.21 H new ATOM 0 HB1 ALA A 184 0.088 4.943 6.019 1.00 23.11 H new ATOM 0 HB2 ALA A 184 1.644 5.728 5.661 1.00 23.11 H new ATOM 0 HB3 ALA A 184 1.575 3.970 5.927 1.00 23.11 H new ATOM 633 N LEU A 185 1.193 2.870 8.559 1.00 64.43 N ATOM 634 CA LEU A 185 0.632 1.781 9.365 1.00 51.34 C ATOM 635 C LEU A 185 0.800 2.073 10.864 1.00 22.01 C ATOM 636 O LEU A 185 -0.140 1.934 11.649 1.00 2.12 O ATOM 637 CB LEU A 185 1.323 0.456 9.010 1.00 13.45 C ATOM 638 CG LEU A 185 1.208 0.025 7.540 1.00 74.11 C ATOM 639 CD1 LEU A 185 2.012 -1.248 7.292 1.00 3.31 C ATOM 640 CD2 LEU A 185 -0.253 -0.170 7.143 1.00 3.24 C ATOM 0 H LEU A 185 2.028 2.614 8.032 1.00 64.43 H new ATOM 0 HA LEU A 185 -0.433 1.702 9.145 1.00 51.34 H new ATOM 0 HB2 LEU A 185 2.380 0.537 9.265 1.00 13.45 H new ATOM 0 HB3 LEU A 185 0.903 -0.332 9.636 1.00 13.45 H new ATOM 0 HG LEU A 185 1.622 0.819 6.918 1.00 74.11 H new ATOM 0 HD11 LEU A 185 1.919 -1.539 6.246 1.00 3.31 H new ATOM 0 HD12 LEU A 185 3.061 -1.067 7.527 1.00 3.31 H new ATOM 0 HD13 LEU A 185 1.631 -2.048 7.926 1.00 3.31 H new ATOM 0 HD21 LEU A 185 -0.308 -0.475 6.098 1.00 3.24 H new ATOM 0 HD22 LEU A 185 -0.701 -0.941 7.770 1.00 3.24 H new ATOM 0 HD23 LEU A 185 -0.795 0.766 7.277 1.00 3.24 H new ATOM 652 N MET A 186 2.006 2.498 11.239 1.00 54.24 N ATOM 653 CA MET A 186 2.346 2.808 12.636 1.00 34.13 C ATOM 654 C MET A 186 1.324 3.760 13.285 1.00 71.34 C ATOM 655 O MET A 186 0.796 3.475 14.362 1.00 14.13 O ATOM 656 CB MET A 186 3.747 3.429 12.696 1.00 70.32 C ATOM 657 CG MET A 186 4.282 3.633 14.106 1.00 30.21 C ATOM 658 SD MET A 186 5.899 4.432 14.111 1.00 24.13 S ATOM 659 CE MET A 186 6.819 3.329 13.036 1.00 1.00 C ATOM 0 H MET A 186 2.778 2.639 10.587 1.00 54.24 H new ATOM 0 HA MET A 186 2.324 1.874 13.198 1.00 34.13 H new ATOM 0 HB2 MET A 186 4.439 2.790 12.147 1.00 70.32 H new ATOM 0 HB3 MET A 186 3.727 4.391 12.185 1.00 70.32 H new ATOM 0 HG2 MET A 186 3.577 4.239 14.676 1.00 30.21 H new ATOM 0 HG3 MET A 186 4.353 2.669 14.609 1.00 30.21 H new ATOM 0 HE1 MET A 186 7.886 3.434 13.234 1.00 1.00 H new ATOM 0 HE2 MET A 186 6.515 2.299 13.225 1.00 1.00 H new ATOM 0 HE3 MET A 186 6.616 3.582 11.995 1.00 1.00 H new ATOM 669 N MET A 187 1.039 4.884 12.622 1.00 72.32 N ATOM 670 CA MET A 187 0.091 5.877 13.156 1.00 65.35 C ATOM 671 C MET A 187 -1.337 5.311 13.287 1.00 32.33 C ATOM 672 O MET A 187 -2.159 5.851 14.026 1.00 62.13 O ATOM 673 CB MET A 187 0.076 7.138 12.277 1.00 73.20 C ATOM 674 CG MET A 187 -0.385 6.891 10.847 1.00 33.05 C ATOM 675 SD MET A 187 -0.450 8.405 9.862 1.00 74.02 S ATOM 676 CE MET A 187 1.258 8.951 9.937 1.00 31.21 C ATOM 0 H MET A 187 1.446 5.132 11.720 1.00 72.32 H new ATOM 0 HA MET A 187 0.436 6.137 14.157 1.00 65.35 H new ATOM 0 HB2 MET A 187 -0.578 7.880 12.735 1.00 73.20 H new ATOM 0 HB3 MET A 187 1.078 7.566 12.256 1.00 73.20 H new ATOM 0 HG2 MET A 187 0.290 6.181 10.370 1.00 33.05 H new ATOM 0 HG3 MET A 187 -1.373 6.430 10.863 1.00 33.05 H new ATOM 0 HE1 MET A 187 1.441 9.683 9.150 1.00 31.21 H new ATOM 0 HE2 MET A 187 1.452 9.406 10.908 1.00 31.21 H new ATOM 0 HE3 MET A 187 1.920 8.096 9.799 1.00 31.21 H new ATOM 686 N ARG A 188 -1.627 4.230 12.563 1.00 31.14 N ATOM 687 CA ARG A 188 -2.947 3.579 12.630 1.00 50.15 C ATOM 688 C ARG A 188 -2.922 2.351 13.559 1.00 55.11 C ATOM 689 O ARG A 188 -3.951 1.725 13.803 1.00 51.01 O ATOM 690 CB ARG A 188 -3.399 3.159 11.221 1.00 52.14 C ATOM 691 CG ARG A 188 -3.473 4.315 10.228 1.00 53.53 C ATOM 692 CD ARG A 188 -4.491 5.371 10.650 1.00 32.42 C ATOM 693 NE ARG A 188 -4.454 6.541 9.770 1.00 24.33 N ATOM 694 CZ ARG A 188 -5.399 7.439 9.688 1.00 62.42 C ATOM 695 NH1 ARG A 188 -6.481 7.331 10.388 1.00 15.52 N ATOM 696 NH2 ARG A 188 -5.248 8.449 8.898 1.00 21.53 N ATOM 0 H ARG A 188 -0.971 3.783 11.923 1.00 31.14 H new ATOM 0 HA ARG A 188 -3.655 4.299 13.040 1.00 50.15 H new ATOM 0 HB2 ARG A 188 -2.710 2.407 10.838 1.00 52.14 H new ATOM 0 HB3 ARG A 188 -4.379 2.688 11.289 1.00 52.14 H new ATOM 0 HG2 ARG A 188 -2.490 4.776 10.136 1.00 53.53 H new ATOM 0 HG3 ARG A 188 -3.738 3.930 9.243 1.00 53.53 H new ATOM 0 HD2 ARG A 188 -5.491 4.938 10.638 1.00 32.42 H new ATOM 0 HD3 ARG A 188 -4.290 5.681 11.676 1.00 32.42 H new ATOM 0 HE ARG A 188 -3.632 6.663 9.179 1.00 24.33 H new ATOM 0 HH11 ARG A 188 -6.605 6.536 11.015 1.00 15.52 H new ATOM 0 HH12 ARG A 188 -7.210 8.041 10.313 1.00 15.52 H new ATOM 0 HH21 ARG A 188 -4.396 8.541 8.344 1.00 21.53 H new ATOM 0 HH22 ARG A 188 -5.981 9.155 8.827 1.00 21.53 H new ATOM 710 N GLY A 189 -1.738 2.015 14.069 1.00 52.41 N ATOM 711 CA GLY A 189 -1.593 0.854 14.942 1.00 54.34 C ATOM 712 C GLY A 189 -1.600 -0.471 14.180 1.00 44.43 C ATOM 713 O GLY A 189 -1.944 -1.514 14.733 1.00 21.23 O ATOM 0 H GLY A 189 -0.873 2.526 13.894 1.00 52.41 H new ATOM 0 HA2 GLY A 189 -0.661 0.941 15.501 1.00 54.34 H new ATOM 0 HA3 GLY A 189 -2.403 0.852 15.672 1.00 54.34 H new ATOM 717 N LEU A 190 -1.205 -0.428 12.909 1.00 71.43 N ATOM 718 CA LEU A 190 -1.196 -1.619 12.049 1.00 65.22 C ATOM 719 C LEU A 190 0.235 -2.016 11.652 1.00 41.45 C ATOM 720 O LEU A 190 1.137 -1.183 11.618 1.00 1.13 O ATOM 721 CB LEU A 190 -2.026 -1.355 10.781 1.00 64.11 C ATOM 722 CG LEU A 190 -3.505 -1.007 11.023 1.00 1.34 C ATOM 723 CD1 LEU A 190 -4.202 -0.661 9.707 1.00 21.44 C ATOM 724 CD2 LEU A 190 -4.223 -2.155 11.732 1.00 21.51 C ATOM 0 H LEU A 190 -0.884 0.422 12.446 1.00 71.43 H new ATOM 0 HA LEU A 190 -1.634 -2.442 12.614 1.00 65.22 H new ATOM 0 HB2 LEU A 190 -1.563 -0.538 10.228 1.00 64.11 H new ATOM 0 HB3 LEU A 190 -1.977 -2.238 10.144 1.00 64.11 H new ATOM 0 HG LEU A 190 -3.547 -0.131 11.670 1.00 1.34 H new ATOM 0 HD11 LEU A 190 -5.247 -0.418 9.901 1.00 21.44 H new ATOM 0 HD12 LEU A 190 -3.709 0.197 9.249 1.00 21.44 H new ATOM 0 HD13 LEU A 190 -4.148 -1.514 9.031 1.00 21.44 H new ATOM 0 HD21 LEU A 190 -5.267 -1.887 11.893 1.00 21.51 H new ATOM 0 HD22 LEU A 190 -4.170 -3.053 11.116 1.00 21.51 H new ATOM 0 HD23 LEU A 190 -3.745 -2.345 12.693 1.00 21.51 H new ATOM 736 N ILE A 191 0.431 -3.299 11.358 1.00 24.35 N ATOM 737 CA ILE A 191 1.716 -3.802 10.850 1.00 32.31 C ATOM 738 C ILE A 191 1.498 -4.629 9.571 1.00 10.24 C ATOM 739 O ILE A 191 0.402 -5.148 9.346 1.00 24.33 O ATOM 740 CB ILE A 191 2.451 -4.674 11.906 1.00 4.55 C ATOM 741 CG1 ILE A 191 1.574 -5.861 12.345 1.00 70.41 C ATOM 742 CG2 ILE A 191 2.865 -3.828 13.111 1.00 43.11 C ATOM 743 CD1 ILE A 191 2.238 -6.781 13.350 1.00 21.33 C ATOM 0 H ILE A 191 -0.285 -4.018 11.462 1.00 24.35 H new ATOM 0 HA ILE A 191 2.338 -2.935 10.628 1.00 32.31 H new ATOM 0 HB ILE A 191 3.354 -5.076 11.446 1.00 4.55 H new ATOM 0 HG12 ILE A 191 0.650 -5.476 12.776 1.00 70.41 H new ATOM 0 HG13 ILE A 191 1.298 -6.441 11.464 1.00 70.41 H new ATOM 0 HG21 ILE A 191 3.378 -4.457 13.838 1.00 43.11 H new ATOM 0 HG22 ILE A 191 3.534 -3.032 12.784 1.00 43.11 H new ATOM 0 HG23 ILE A 191 1.978 -3.391 13.571 1.00 43.11 H new ATOM 0 HD11 ILE A 191 1.556 -7.591 13.608 1.00 21.33 H new ATOM 0 HD12 ILE A 191 3.148 -7.197 12.917 1.00 21.33 H new ATOM 0 HD13 ILE A 191 2.489 -6.218 14.249 1.00 21.33 H new ATOM 755 N PRO A 192 2.531 -4.772 8.710 1.00 43.33 N ATOM 756 CA PRO A 192 2.413 -5.531 7.446 1.00 41.31 C ATOM 757 C PRO A 192 1.884 -6.965 7.647 1.00 40.14 C ATOM 758 O PRO A 192 1.029 -7.430 6.897 1.00 14.14 O ATOM 759 CB PRO A 192 3.853 -5.556 6.898 1.00 33.22 C ATOM 760 CG PRO A 192 4.721 -5.138 8.043 1.00 4.21 C ATOM 761 CD PRO A 192 3.884 -4.210 8.878 1.00 62.53 C ATOM 0 HA PRO A 192 1.694 -5.067 6.771 1.00 41.31 H new ATOM 0 HB2 PRO A 192 4.122 -6.551 6.544 1.00 33.22 H new ATOM 0 HB3 PRO A 192 3.964 -4.877 6.053 1.00 33.22 H new ATOM 0 HG2 PRO A 192 5.044 -6.002 8.624 1.00 4.21 H new ATOM 0 HG3 PRO A 192 5.622 -4.638 7.688 1.00 4.21 H new ATOM 0 HD2 PRO A 192 4.197 -4.208 9.922 1.00 62.53 H new ATOM 0 HD3 PRO A 192 3.943 -3.180 8.526 1.00 62.53 H new ATOM 769 N GLU A 193 2.386 -7.651 8.676 1.00 60.44 N ATOM 770 CA GLU A 193 1.972 -9.033 8.973 1.00 33.31 C ATOM 771 C GLU A 193 0.503 -9.113 9.441 1.00 54.22 C ATOM 772 O GLU A 193 -0.052 -10.202 9.604 1.00 23.31 O ATOM 773 CB GLU A 193 2.891 -9.632 10.050 1.00 44.34 C ATOM 774 CG GLU A 193 4.375 -9.569 9.696 1.00 32.52 C ATOM 775 CD GLU A 193 5.267 -10.159 10.778 1.00 14.12 C ATOM 776 OE1 GLU A 193 5.466 -9.499 11.819 1.00 12.23 O ATOM 777 OE2 GLU A 193 5.776 -11.286 10.596 1.00 1.41 O ATOM 0 H GLU A 193 3.081 -7.275 9.321 1.00 60.44 H new ATOM 0 HA GLU A 193 2.056 -9.605 8.049 1.00 33.31 H new ATOM 0 HB2 GLU A 193 2.728 -9.103 10.989 1.00 44.34 H new ATOM 0 HB3 GLU A 193 2.610 -10.672 10.217 1.00 44.34 H new ATOM 0 HG2 GLU A 193 4.543 -10.104 8.761 1.00 32.52 H new ATOM 0 HG3 GLU A 193 4.659 -8.531 9.524 1.00 32.52 H new ATOM 784 N CYS A 194 -0.119 -7.954 9.661 1.00 42.42 N ATOM 785 CA CYS A 194 -1.512 -7.889 10.127 1.00 41.04 C ATOM 786 C CYS A 194 -2.456 -7.366 9.033 1.00 63.31 C ATOM 787 O CYS A 194 -3.671 -7.307 9.231 1.00 54.51 O ATOM 788 CB CYS A 194 -1.603 -6.985 11.364 1.00 53.33 C ATOM 789 SG CYS A 194 -3.277 -6.749 12.008 1.00 11.51 S ATOM 0 H CYS A 194 0.318 -7.043 9.525 1.00 42.42 H new ATOM 0 HA CYS A 194 -1.825 -8.901 10.382 1.00 41.04 H new ATOM 0 HB2 CYS A 194 -0.981 -7.409 12.153 1.00 53.33 H new ATOM 0 HB3 CYS A 194 -1.183 -6.010 11.116 1.00 53.33 H new ATOM 0 HG CYS A 194 -4.141 -7.181 11.138 1.00 11.51 H new ATOM 795 N CYS A 195 -1.903 -7.007 7.875 1.00 71.15 N ATOM 796 CA CYS A 195 -2.696 -6.412 6.785 1.00 71.00 C ATOM 797 C CYS A 195 -2.282 -6.963 5.413 1.00 0.51 C ATOM 798 O CYS A 195 -1.206 -7.537 5.258 1.00 23.52 O ATOM 799 CB CYS A 195 -2.545 -4.884 6.793 1.00 71.23 C ATOM 800 SG CYS A 195 -3.043 -4.090 8.340 1.00 14.43 S ATOM 0 H CYS A 195 -0.911 -7.115 7.662 1.00 71.15 H new ATOM 0 HA CYS A 195 -3.739 -6.679 6.956 1.00 71.00 H new ATOM 0 HB2 CYS A 195 -1.504 -4.633 6.589 1.00 71.23 H new ATOM 0 HB3 CYS A 195 -3.138 -4.469 5.978 1.00 71.23 H new ATOM 0 HG CYS A 195 -2.064 -4.149 9.193 1.00 14.43 H new ATOM 806 N ALA A 196 -3.145 -6.780 4.418 1.00 54.11 N ATOM 807 CA ALA A 196 -2.867 -7.231 3.049 1.00 42.33 C ATOM 808 C ALA A 196 -3.162 -6.129 2.020 1.00 13.12 C ATOM 809 O ALA A 196 -4.153 -5.401 2.136 1.00 41.32 O ATOM 810 CB ALA A 196 -3.675 -8.485 2.729 1.00 3.13 C ATOM 0 H ALA A 196 -4.049 -6.320 4.531 1.00 54.11 H new ATOM 0 HA ALA A 196 -1.805 -7.467 2.987 1.00 42.33 H new ATOM 0 HB1 ALA A 196 -3.458 -8.807 1.711 1.00 3.13 H new ATOM 0 HB2 ALA A 196 -3.406 -9.279 3.426 1.00 3.13 H new ATOM 0 HB3 ALA A 196 -4.739 -8.266 2.822 1.00 3.13 H new ATOM 816 N VAL A 197 -2.297 -6.017 1.016 1.00 42.44 N ATOM 817 CA VAL A 197 -2.455 -5.018 -0.047 1.00 12.45 C ATOM 818 C VAL A 197 -2.875 -5.680 -1.367 1.00 30.13 C ATOM 819 O VAL A 197 -2.327 -6.710 -1.751 1.00 5.32 O ATOM 820 CB VAL A 197 -1.135 -4.235 -0.277 1.00 24.00 C ATOM 821 CG1 VAL A 197 -1.314 -3.159 -1.348 1.00 2.25 C ATOM 822 CG2 VAL A 197 -0.633 -3.622 1.029 1.00 12.21 C ATOM 0 H VAL A 197 -1.472 -6.608 0.913 1.00 42.44 H new ATOM 0 HA VAL A 197 -3.234 -4.327 0.276 1.00 12.45 H new ATOM 0 HB VAL A 197 -0.384 -4.941 -0.632 1.00 24.00 H new ATOM 0 HG11 VAL A 197 -0.374 -2.626 -1.489 1.00 2.25 H new ATOM 0 HG12 VAL A 197 -1.610 -3.626 -2.287 1.00 2.25 H new ATOM 0 HG13 VAL A 197 -2.086 -2.457 -1.033 1.00 2.25 H new ATOM 0 HG21 VAL A 197 0.293 -3.078 0.843 1.00 12.21 H new ATOM 0 HG22 VAL A 197 -1.384 -2.936 1.421 1.00 12.21 H new ATOM 0 HG23 VAL A 197 -0.449 -4.414 1.756 1.00 12.21 H new ATOM 832 N TYR A 198 -3.853 -5.095 -2.056 1.00 73.32 N ATOM 833 CA TYR A 198 -4.260 -5.584 -3.381 1.00 52.05 C ATOM 834 C TYR A 198 -4.785 -4.438 -4.257 1.00 30.34 C ATOM 835 O TYR A 198 -5.198 -3.390 -3.752 1.00 42.15 O ATOM 836 CB TYR A 198 -5.327 -6.688 -3.253 1.00 1.51 C ATOM 837 CG TYR A 198 -6.664 -6.210 -2.705 1.00 22.55 C ATOM 838 CD1 TYR A 198 -6.873 -6.083 -1.336 1.00 61.10 C ATOM 839 CD2 TYR A 198 -7.715 -5.882 -3.562 1.00 12.01 C ATOM 840 CE1 TYR A 198 -8.085 -5.645 -0.837 1.00 51.43 C ATOM 841 CE2 TYR A 198 -8.927 -5.445 -3.067 1.00 2.11 C ATOM 842 CZ TYR A 198 -9.106 -5.325 -1.705 1.00 33.04 C ATOM 843 OH TYR A 198 -10.310 -4.883 -1.210 1.00 62.12 O ATOM 0 H TYR A 198 -4.379 -4.286 -1.725 1.00 73.32 H new ATOM 0 HA TYR A 198 -3.378 -6.006 -3.863 1.00 52.05 H new ATOM 0 HB2 TYR A 198 -5.489 -7.135 -4.234 1.00 1.51 H new ATOM 0 HB3 TYR A 198 -4.942 -7.475 -2.604 1.00 1.51 H new ATOM 0 HD1 TYR A 198 -6.075 -6.331 -0.652 1.00 61.10 H new ATOM 0 HD2 TYR A 198 -7.578 -5.971 -4.630 1.00 12.01 H new ATOM 0 HE1 TYR A 198 -8.231 -5.554 0.229 1.00 51.43 H new ATOM 0 HE2 TYR A 198 -9.732 -5.198 -3.744 1.00 2.11 H new ATOM 0 HH TYR A 198 -10.922 -4.700 -1.953 1.00 62.12 H new ATOM 853 N ARG A 199 -4.763 -4.632 -5.571 1.00 61.23 N ATOM 854 CA ARG A 199 -5.321 -3.647 -6.502 1.00 23.14 C ATOM 855 C ARG A 199 -6.315 -4.305 -7.461 1.00 22.50 C ATOM 856 O ARG A 199 -6.183 -5.482 -7.799 1.00 21.50 O ATOM 857 CB ARG A 199 -4.205 -2.947 -7.295 1.00 32.53 C ATOM 858 CG ARG A 199 -3.496 -3.834 -8.322 1.00 51.55 C ATOM 859 CD ARG A 199 -2.444 -3.048 -9.101 1.00 22.43 C ATOM 860 NE ARG A 199 -1.849 -3.824 -10.188 1.00 54.34 N ATOM 861 CZ ARG A 199 -0.810 -3.432 -10.878 1.00 2.03 C ATOM 862 NH1 ARG A 199 -0.243 -2.297 -10.624 1.00 4.32 N ATOM 863 NH2 ARG A 199 -0.354 -4.173 -11.835 1.00 52.32 N ATOM 0 H ARG A 199 -4.367 -5.459 -6.019 1.00 61.23 H new ATOM 0 HA ARG A 199 -5.850 -2.897 -5.914 1.00 23.14 H new ATOM 0 HB2 ARG A 199 -4.630 -2.086 -7.811 1.00 32.53 H new ATOM 0 HB3 ARG A 199 -3.464 -2.564 -6.593 1.00 32.53 H new ATOM 0 HG2 ARG A 199 -3.023 -4.675 -7.815 1.00 51.55 H new ATOM 0 HG3 ARG A 199 -4.228 -4.250 -9.014 1.00 51.55 H new ATOM 0 HD2 ARG A 199 -2.900 -2.147 -9.511 1.00 22.43 H new ATOM 0 HD3 ARG A 199 -1.658 -2.725 -8.418 1.00 22.43 H new ATOM 0 HE ARG A 199 -2.269 -4.724 -10.422 1.00 54.34 H new ATOM 0 HH11 ARG A 199 -0.606 -1.701 -9.881 1.00 4.32 H new ATOM 0 HH12 ARG A 199 0.567 -1.999 -11.167 1.00 4.32 H new ATOM 0 HH21 ARG A 199 -0.805 -5.062 -12.051 1.00 52.32 H new ATOM 0 HH22 ARG A 199 0.457 -3.868 -12.374 1.00 52.32 H new ATOM 877 N ILE A 200 -7.316 -3.547 -7.890 1.00 13.54 N ATOM 878 CA ILE A 200 -8.301 -4.055 -8.840 1.00 34.03 C ATOM 879 C ILE A 200 -7.877 -3.717 -10.274 1.00 32.43 C ATOM 880 O ILE A 200 -8.110 -2.615 -10.772 1.00 51.43 O ATOM 881 CB ILE A 200 -9.716 -3.497 -8.544 1.00 63.01 C ATOM 882 CG1 ILE A 200 -10.116 -3.835 -7.095 1.00 23.42 C ATOM 883 CG2 ILE A 200 -10.740 -4.057 -9.534 1.00 52.24 C ATOM 884 CD1 ILE A 200 -11.499 -3.359 -6.707 1.00 5.11 C ATOM 0 H ILE A 200 -7.468 -2.582 -7.597 1.00 13.54 H new ATOM 0 HA ILE A 200 -8.346 -5.139 -8.731 1.00 34.03 H new ATOM 0 HB ILE A 200 -9.698 -2.414 -8.662 1.00 63.01 H new ATOM 0 HG12 ILE A 200 -10.064 -4.915 -6.958 1.00 23.42 H new ATOM 0 HG13 ILE A 200 -9.388 -3.392 -6.416 1.00 23.42 H new ATOM 0 HG21 ILE A 200 -11.726 -3.651 -9.306 1.00 52.24 H new ATOM 0 HG22 ILE A 200 -10.457 -3.776 -10.548 1.00 52.24 H new ATOM 0 HG23 ILE A 200 -10.768 -5.144 -9.453 1.00 52.24 H new ATOM 0 HD11 ILE A 200 -11.703 -3.637 -5.673 1.00 5.11 H new ATOM 0 HD12 ILE A 200 -11.553 -2.275 -6.809 1.00 5.11 H new ATOM 0 HD13 ILE A 200 -12.239 -3.822 -7.359 1.00 5.11 H new ATOM 896 N GLN A 201 -7.219 -4.675 -10.918 1.00 34.23 N ATOM 897 CA GLN A 201 -6.648 -4.487 -12.251 1.00 32.45 C ATOM 898 C GLN A 201 -7.498 -5.185 -13.325 1.00 54.33 C ATOM 899 O GLN A 201 -7.539 -6.415 -13.394 1.00 64.12 O ATOM 900 CB GLN A 201 -5.213 -5.037 -12.267 1.00 34.22 C ATOM 901 CG GLN A 201 -4.476 -4.836 -13.584 1.00 14.21 C ATOM 902 CD GLN A 201 -3.092 -5.466 -13.573 1.00 23.23 C ATOM 903 OE1 GLN A 201 -2.451 -5.570 -12.533 1.00 61.42 O ATOM 904 NE2 GLN A 201 -2.622 -5.889 -14.726 1.00 40.30 N ATOM 0 H GLN A 201 -7.065 -5.606 -10.531 1.00 34.23 H new ATOM 0 HA GLN A 201 -6.637 -3.421 -12.480 1.00 32.45 H new ATOM 0 HB2 GLN A 201 -4.645 -4.558 -11.470 1.00 34.22 H new ATOM 0 HB3 GLN A 201 -5.243 -6.103 -12.041 1.00 34.22 H new ATOM 0 HG2 GLN A 201 -5.062 -5.267 -14.395 1.00 14.21 H new ATOM 0 HG3 GLN A 201 -4.385 -3.769 -13.788 1.00 14.21 H new ATOM 0 HE21 GLN A 201 -3.181 -5.787 -15.573 1.00 40.30 H new ATOM 0 HE22 GLN A 201 -1.698 -6.319 -14.773 1.00 40.30 H new ATOM 913 N ASP A 202 -8.187 -4.390 -14.144 1.00 52.14 N ATOM 914 CA ASP A 202 -9.037 -4.909 -15.226 1.00 15.34 C ATOM 915 C ASP A 202 -10.166 -5.800 -14.664 1.00 71.45 C ATOM 916 O ASP A 202 -10.688 -6.684 -15.346 1.00 50.14 O ATOM 917 CB ASP A 202 -8.177 -5.682 -16.239 1.00 73.31 C ATOM 918 CG ASP A 202 -8.837 -5.790 -17.602 1.00 52.21 C ATOM 919 OD1 ASP A 202 -8.704 -4.840 -18.400 1.00 53.31 O ATOM 920 OD2 ASP A 202 -9.493 -6.816 -17.884 1.00 71.00 O ATOM 0 H ASP A 202 -8.175 -3.372 -14.080 1.00 52.14 H new ATOM 0 HA ASP A 202 -9.507 -4.068 -15.736 1.00 15.34 H new ATOM 0 HB2 ASP A 202 -7.212 -5.186 -16.345 1.00 73.31 H new ATOM 0 HB3 ASP A 202 -7.980 -6.683 -15.854 1.00 73.31 H new ATOM 925 N GLY A 203 -10.549 -5.544 -13.418 1.00 34.13 N ATOM 926 CA GLY A 203 -11.590 -6.332 -12.766 1.00 1.32 C ATOM 927 C GLY A 203 -11.042 -7.390 -11.809 1.00 2.24 C ATOM 928 O GLY A 203 -11.791 -7.965 -11.017 1.00 35.53 O ATOM 0 H GLY A 203 -10.157 -4.800 -12.841 1.00 34.13 H new ATOM 0 HA2 GLY A 203 -12.251 -5.662 -12.215 1.00 1.32 H new ATOM 0 HA3 GLY A 203 -12.196 -6.822 -13.529 1.00 1.32 H new ATOM 932 N GLU A 204 -9.737 -7.652 -11.887 1.00 22.24 N ATOM 933 CA GLU A 204 -9.091 -8.661 -11.036 1.00 21.25 C ATOM 934 C GLU A 204 -8.552 -8.057 -9.731 1.00 45.04 C ATOM 935 O GLU A 204 -7.771 -7.106 -9.757 1.00 13.31 O ATOM 936 CB GLU A 204 -7.921 -9.320 -11.783 1.00 33.22 C ATOM 937 CG GLU A 204 -8.308 -10.032 -13.072 1.00 35.33 C ATOM 938 CD GLU A 204 -7.125 -10.758 -13.696 1.00 53.23 C ATOM 939 OE1 GLU A 204 -6.842 -11.901 -13.282 1.00 11.11 O ATOM 940 OE2 GLU A 204 -6.459 -10.181 -14.582 1.00 22.24 O ATOM 0 H GLU A 204 -9.102 -7.180 -12.531 1.00 22.24 H new ATOM 0 HA GLU A 204 -9.854 -9.400 -10.792 1.00 21.25 H new ATOM 0 HB2 GLU A 204 -7.179 -8.556 -12.015 1.00 33.22 H new ATOM 0 HB3 GLU A 204 -7.441 -10.038 -11.118 1.00 33.22 H new ATOM 0 HG2 GLU A 204 -9.105 -10.746 -12.867 1.00 35.33 H new ATOM 0 HG3 GLU A 204 -8.705 -9.307 -13.782 1.00 35.33 H new ATOM 947 N LYS A 205 -8.962 -8.613 -8.595 1.00 73.34 N ATOM 948 CA LYS A 205 -8.374 -8.242 -7.307 1.00 64.22 C ATOM 949 C LYS A 205 -7.050 -8.993 -7.104 1.00 35.50 C ATOM 950 O LYS A 205 -7.029 -10.133 -6.636 1.00 61.44 O ATOM 951 CB LYS A 205 -9.353 -8.552 -6.163 1.00 50.54 C ATOM 952 CG LYS A 205 -10.623 -7.703 -6.196 1.00 12.11 C ATOM 953 CD LYS A 205 -11.696 -8.226 -5.242 1.00 34.41 C ATOM 954 CE LYS A 205 -11.210 -8.274 -3.797 1.00 61.00 C ATOM 955 NZ LYS A 205 -12.286 -8.697 -2.860 1.00 4.40 N ATOM 0 H LYS A 205 -9.696 -9.319 -8.537 1.00 73.34 H new ATOM 0 HA LYS A 205 -8.174 -7.171 -7.303 1.00 64.22 H new ATOM 0 HB2 LYS A 205 -9.629 -9.605 -6.208 1.00 50.54 H new ATOM 0 HB3 LYS A 205 -8.847 -8.396 -5.211 1.00 50.54 H new ATOM 0 HG2 LYS A 205 -10.376 -6.674 -5.933 1.00 12.11 H new ATOM 0 HG3 LYS A 205 -11.020 -7.686 -7.211 1.00 12.11 H new ATOM 0 HD2 LYS A 205 -12.578 -7.589 -5.306 1.00 34.41 H new ATOM 0 HD3 LYS A 205 -12.001 -9.225 -5.554 1.00 34.41 H new ATOM 0 HE2 LYS A 205 -10.370 -8.965 -3.720 1.00 61.00 H new ATOM 0 HE3 LYS A 205 -10.842 -7.290 -3.506 1.00 61.00 H new ATOM 0 HZ1 LYS A 205 -11.913 -8.716 -1.889 1.00 4.40 H new ATOM 0 HZ2 LYS A 205 -13.077 -8.024 -2.914 1.00 4.40 H new ATOM 0 HZ3 LYS A 205 -12.620 -9.646 -3.121 1.00 4.40 H new ATOM 969 N LYS A 206 -5.948 -8.351 -7.479 1.00 5.33 N ATOM 970 CA LYS A 206 -4.626 -8.989 -7.447 1.00 75.30 C ATOM 971 C LYS A 206 -3.826 -8.581 -6.195 1.00 73.50 C ATOM 972 O LYS A 206 -3.489 -7.405 -6.023 1.00 73.01 O ATOM 973 CB LYS A 206 -3.841 -8.622 -8.721 1.00 71.54 C ATOM 974 CG LYS A 206 -2.460 -9.272 -8.825 1.00 1.55 C ATOM 975 CD LYS A 206 -2.542 -10.797 -8.826 1.00 55.22 C ATOM 976 CE LYS A 206 -1.165 -11.447 -8.959 1.00 32.11 C ATOM 977 NZ LYS A 206 -0.521 -11.144 -10.264 1.00 71.21 N ATOM 0 H LYS A 206 -5.939 -7.386 -7.810 1.00 5.33 H new ATOM 0 HA LYS A 206 -4.774 -10.068 -7.405 1.00 75.30 H new ATOM 0 HB2 LYS A 206 -4.431 -8.910 -9.591 1.00 71.54 H new ATOM 0 HB3 LYS A 206 -3.723 -7.539 -8.760 1.00 71.54 H new ATOM 0 HG2 LYS A 206 -1.969 -8.935 -9.738 1.00 1.55 H new ATOM 0 HG3 LYS A 206 -1.841 -8.943 -7.990 1.00 1.55 H new ATOM 0 HD2 LYS A 206 -3.014 -11.135 -7.903 1.00 55.22 H new ATOM 0 HD3 LYS A 206 -3.178 -11.125 -9.648 1.00 55.22 H new ATOM 0 HE2 LYS A 206 -0.522 -11.100 -8.150 1.00 32.11 H new ATOM 0 HE3 LYS A 206 -1.263 -12.527 -8.847 1.00 32.11 H new ATOM 0 HZ1 LYS A 206 0.326 -11.737 -10.379 1.00 71.21 H new ATOM 0 HZ2 LYS A 206 -1.190 -11.342 -11.035 1.00 71.21 H new ATOM 0 HZ3 LYS A 206 -0.248 -10.141 -10.292 1.00 71.21 H new ATOM 991 N PRO A 207 -3.522 -9.546 -5.299 1.00 2.44 N ATOM 992 CA PRO A 207 -2.710 -9.288 -4.095 1.00 2.12 C ATOM 993 C PRO A 207 -1.278 -8.826 -4.428 1.00 13.10 C ATOM 994 O PRO A 207 -0.561 -9.473 -5.192 1.00 64.01 O ATOM 995 CB PRO A 207 -2.683 -10.650 -3.372 1.00 52.03 C ATOM 996 CG PRO A 207 -3.836 -11.408 -3.938 1.00 22.15 C ATOM 997 CD PRO A 207 -3.957 -10.954 -5.365 1.00 63.32 C ATOM 0 HA PRO A 207 -3.132 -8.481 -3.495 1.00 2.12 H new ATOM 0 HB2 PRO A 207 -1.742 -11.172 -3.548 1.00 52.03 H new ATOM 0 HB3 PRO A 207 -2.782 -10.527 -2.294 1.00 52.03 H new ATOM 0 HG2 PRO A 207 -3.664 -12.483 -3.882 1.00 22.15 H new ATOM 0 HG3 PRO A 207 -4.751 -11.202 -3.382 1.00 22.15 H new ATOM 0 HD2 PRO A 207 -3.325 -11.542 -6.031 1.00 63.32 H new ATOM 0 HD3 PRO A 207 -4.979 -11.045 -5.733 1.00 63.32 H new ATOM 1005 N ILE A 208 -0.877 -7.700 -3.848 1.00 42.20 N ATOM 1006 CA ILE A 208 0.467 -7.148 -4.045 1.00 41.45 C ATOM 1007 C ILE A 208 1.362 -7.440 -2.831 1.00 60.33 C ATOM 1008 O ILE A 208 1.052 -7.035 -1.709 1.00 53.34 O ATOM 1009 CB ILE A 208 0.406 -5.616 -4.272 1.00 34.22 C ATOM 1010 CG1 ILE A 208 -0.520 -5.291 -5.457 1.00 70.42 C ATOM 1011 CG2 ILE A 208 1.809 -5.043 -4.500 1.00 43.31 C ATOM 1012 CD1 ILE A 208 -0.712 -3.807 -5.694 1.00 13.33 C ATOM 0 H ILE A 208 -1.468 -7.143 -3.230 1.00 42.20 H new ATOM 0 HA ILE A 208 0.891 -7.627 -4.928 1.00 41.45 H new ATOM 0 HB ILE A 208 -0.003 -5.148 -3.376 1.00 34.22 H new ATOM 0 HG12 ILE A 208 -0.111 -5.744 -6.360 1.00 70.42 H new ATOM 0 HG13 ILE A 208 -1.493 -5.750 -5.282 1.00 70.42 H new ATOM 0 HG21 ILE A 208 1.741 -3.967 -4.657 1.00 43.31 H new ATOM 0 HG22 ILE A 208 2.430 -5.244 -3.627 1.00 43.31 H new ATOM 0 HG23 ILE A 208 2.255 -5.510 -5.378 1.00 43.31 H new ATOM 0 HD11 ILE A 208 -1.377 -3.657 -6.545 1.00 13.33 H new ATOM 0 HD12 ILE A 208 -1.150 -3.351 -4.807 1.00 13.33 H new ATOM 0 HD13 ILE A 208 0.253 -3.344 -5.901 1.00 13.33 H new ATOM 1024 N GLY A 209 2.468 -8.148 -3.056 1.00 2.44 N ATOM 1025 CA GLY A 209 3.389 -8.466 -1.968 1.00 15.53 C ATOM 1026 C GLY A 209 4.001 -7.227 -1.316 1.00 32.53 C ATOM 1027 O GLY A 209 4.450 -6.314 -2.008 1.00 62.31 O ATOM 0 H GLY A 209 2.745 -8.508 -3.969 1.00 2.44 H new ATOM 0 HA2 GLY A 209 2.860 -9.044 -1.210 1.00 15.53 H new ATOM 0 HA3 GLY A 209 4.189 -9.100 -2.351 1.00 15.53 H new ATOM 1031 N TRP A 210 4.038 -7.206 0.016 1.00 60.42 N ATOM 1032 CA TRP A 210 4.575 -6.066 0.766 1.00 32.11 C ATOM 1033 C TRP A 210 6.020 -5.718 0.357 1.00 22.24 C ATOM 1034 O TRP A 210 6.418 -4.552 0.368 1.00 41.31 O ATOM 1035 CB TRP A 210 4.512 -6.365 2.270 1.00 0.21 C ATOM 1036 CG TRP A 210 3.135 -6.240 2.857 1.00 0.52 C ATOM 1037 CD1 TRP A 210 2.209 -7.230 3.028 1.00 72.45 C ATOM 1038 CD2 TRP A 210 2.539 -5.044 3.365 1.00 34.25 C ATOM 1039 NE1 TRP A 210 1.075 -6.714 3.612 1.00 23.24 N ATOM 1040 CE2 TRP A 210 1.253 -5.375 3.825 1.00 0.22 C ATOM 1041 CE3 TRP A 210 2.974 -3.723 3.470 1.00 24.50 C ATOM 1042 CZ2 TRP A 210 0.399 -4.429 4.389 1.00 31.14 C ATOM 1043 CZ3 TRP A 210 2.130 -2.785 4.027 1.00 54.21 C ATOM 1044 CH2 TRP A 210 0.854 -3.140 4.481 1.00 12.03 C ATOM 0 H TRP A 210 3.701 -7.969 0.603 1.00 60.42 H new ATOM 0 HA TRP A 210 3.959 -5.198 0.530 1.00 32.11 H new ATOM 0 HB2 TRP A 210 4.881 -7.375 2.446 1.00 0.21 H new ATOM 0 HB3 TRP A 210 5.183 -5.685 2.794 1.00 0.21 H new ATOM 0 HD1 TRP A 210 2.347 -8.264 2.747 1.00 72.45 H new ATOM 0 HE1 TRP A 210 0.237 -7.245 3.848 1.00 23.24 H new ATOM 0 HE3 TRP A 210 3.956 -3.439 3.121 1.00 24.50 H new ATOM 0 HZ2 TRP A 210 -0.585 -4.702 4.741 1.00 31.14 H new ATOM 0 HZ3 TRP A 210 2.459 -1.760 4.114 1.00 54.21 H new ATOM 0 HH2 TRP A 210 0.216 -2.383 4.912 1.00 12.03 H new ATOM 1055 N ASP A 211 6.797 -6.730 -0.014 1.00 75.42 N ATOM 1056 CA ASP A 211 8.208 -6.534 -0.376 1.00 72.11 C ATOM 1057 C ASP A 211 8.396 -6.117 -1.848 1.00 61.12 C ATOM 1058 O ASP A 211 9.516 -6.111 -2.356 1.00 25.32 O ATOM 1059 CB ASP A 211 9.000 -7.808 -0.079 1.00 53.42 C ATOM 1060 CG ASP A 211 8.983 -8.150 1.400 1.00 30.12 C ATOM 1061 OD1 ASP A 211 9.852 -7.641 2.139 1.00 3.23 O ATOM 1062 OD2 ASP A 211 8.093 -8.912 1.832 1.00 4.12 O ATOM 0 H ASP A 211 6.479 -7.697 -0.074 1.00 75.42 H new ATOM 0 HA ASP A 211 8.586 -5.712 0.232 1.00 72.11 H new ATOM 0 HB2 ASP A 211 8.581 -8.638 -0.649 1.00 53.42 H new ATOM 0 HB3 ASP A 211 10.030 -7.681 -0.411 1.00 53.42 H new ATOM 1067 N THR A 212 7.308 -5.755 -2.526 1.00 31.33 N ATOM 1068 CA THR A 212 7.385 -5.265 -3.913 1.00 51.10 C ATOM 1069 C THR A 212 7.809 -3.788 -3.949 1.00 65.03 C ATOM 1070 O THR A 212 7.393 -2.999 -3.096 1.00 0.41 O ATOM 1071 CB THR A 212 6.022 -5.404 -4.641 1.00 25.43 C ATOM 1072 OG1 THR A 212 5.549 -6.757 -4.554 1.00 32.23 O ATOM 1073 CG2 THR A 212 6.126 -5.000 -6.113 1.00 25.51 C ATOM 0 H THR A 212 6.363 -5.789 -2.144 1.00 31.33 H new ATOM 0 HA THR A 212 8.129 -5.877 -4.423 1.00 51.10 H new ATOM 0 HB THR A 212 5.318 -4.733 -4.148 1.00 25.43 H new ATOM 0 HG1 THR A 212 5.064 -6.880 -3.711 1.00 32.23 H new ATOM 0 HG21 THR A 212 5.152 -5.110 -6.590 1.00 25.51 H new ATOM 0 HG22 THR A 212 6.449 -3.961 -6.183 1.00 25.51 H new ATOM 0 HG23 THR A 212 6.851 -5.640 -6.616 1.00 25.51 H new ATOM 1081 N ASP A 213 8.635 -3.414 -4.930 1.00 34.20 N ATOM 1082 CA ASP A 213 9.047 -2.014 -5.101 1.00 34.34 C ATOM 1083 C ASP A 213 7.828 -1.100 -5.331 1.00 65.22 C ATOM 1084 O ASP A 213 7.108 -1.243 -6.320 1.00 54.43 O ATOM 1085 CB ASP A 213 10.018 -1.877 -6.279 1.00 33.54 C ATOM 1086 CG ASP A 213 11.292 -2.671 -6.079 1.00 2.10 C ATOM 1087 OD1 ASP A 213 11.321 -3.860 -6.455 1.00 5.21 O ATOM 1088 OD2 ASP A 213 12.273 -2.110 -5.550 1.00 31.20 O ATOM 0 H ASP A 213 9.031 -4.056 -5.616 1.00 34.20 H new ATOM 0 HA ASP A 213 9.548 -1.705 -4.184 1.00 34.34 H new ATOM 0 HB2 ASP A 213 9.525 -2.212 -7.192 1.00 33.54 H new ATOM 0 HB3 ASP A 213 10.268 -0.825 -6.419 1.00 33.54 H new ATOM 1093 N ILE A 214 7.618 -0.150 -4.423 1.00 21.23 N ATOM 1094 CA ILE A 214 6.475 0.772 -4.506 1.00 53.22 C ATOM 1095 C ILE A 214 6.462 1.553 -5.839 1.00 20.32 C ATOM 1096 O ILE A 214 5.419 2.028 -6.287 1.00 63.12 O ATOM 1097 CB ILE A 214 6.477 1.762 -3.307 1.00 64.04 C ATOM 1098 CG1 ILE A 214 5.179 2.589 -3.265 1.00 4.21 C ATOM 1099 CG2 ILE A 214 7.697 2.680 -3.362 1.00 2.35 C ATOM 1100 CD1 ILE A 214 3.926 1.761 -3.059 1.00 3.14 C ATOM 0 H ILE A 214 8.223 0.006 -3.617 1.00 21.23 H new ATOM 0 HA ILE A 214 5.570 0.166 -4.465 1.00 53.22 H new ATOM 0 HB ILE A 214 6.531 1.173 -2.391 1.00 64.04 H new ATOM 0 HG12 ILE A 214 5.253 3.322 -2.462 1.00 4.21 H new ATOM 0 HG13 ILE A 214 5.085 3.146 -4.197 1.00 4.21 H new ATOM 0 HG21 ILE A 214 7.677 3.364 -2.513 1.00 2.35 H new ATOM 0 HG22 ILE A 214 8.606 2.080 -3.323 1.00 2.35 H new ATOM 0 HG23 ILE A 214 7.680 3.252 -4.289 1.00 2.35 H new ATOM 0 HD11 ILE A 214 3.055 2.417 -3.041 1.00 3.14 H new ATOM 0 HD12 ILE A 214 3.825 1.045 -3.875 1.00 3.14 H new ATOM 0 HD13 ILE A 214 3.996 1.225 -2.113 1.00 3.14 H new ATOM 1112 N SER A 215 7.631 1.659 -6.480 1.00 11.43 N ATOM 1113 CA SER A 215 7.759 2.354 -7.773 1.00 34.24 C ATOM 1114 C SER A 215 6.906 1.694 -8.875 1.00 45.43 C ATOM 1115 O SER A 215 6.537 2.340 -9.858 1.00 31.23 O ATOM 1116 CB SER A 215 9.228 2.395 -8.222 1.00 1.45 C ATOM 1117 OG SER A 215 9.393 3.185 -9.392 1.00 64.32 O ATOM 0 H SER A 215 8.506 1.272 -6.126 1.00 11.43 H new ATOM 0 HA SER A 215 7.392 3.369 -7.623 1.00 34.24 H new ATOM 0 HB2 SER A 215 9.844 2.799 -7.419 1.00 1.45 H new ATOM 0 HB3 SER A 215 9.579 1.381 -8.414 1.00 1.45 H new ATOM 0 HG SER A 215 10.338 3.192 -9.651 1.00 64.32 H new ATOM 1123 N TRP A 216 6.595 0.407 -8.710 1.00 55.43 N ATOM 1124 CA TRP A 216 5.733 -0.314 -9.661 1.00 34.31 C ATOM 1125 C TRP A 216 4.295 0.231 -9.639 1.00 64.45 C ATOM 1126 O TRP A 216 3.544 0.081 -10.603 1.00 4.54 O ATOM 1127 CB TRP A 216 5.707 -1.816 -9.327 1.00 61.02 C ATOM 1128 CG TRP A 216 7.000 -2.539 -9.584 1.00 4.24 C ATOM 1129 CD1 TRP A 216 8.270 -2.056 -9.438 1.00 23.14 C ATOM 1130 CD2 TRP A 216 7.139 -3.895 -10.025 1.00 34.51 C ATOM 1131 NE1 TRP A 216 9.185 -3.026 -9.766 1.00 42.55 N ATOM 1132 CE2 TRP A 216 8.514 -4.164 -10.125 1.00 43.44 C ATOM 1133 CE3 TRP A 216 6.230 -4.910 -10.342 1.00 52.22 C ATOM 1134 CZ2 TRP A 216 9.005 -5.401 -10.533 1.00 40.12 C ATOM 1135 CZ3 TRP A 216 6.717 -6.139 -10.746 1.00 33.12 C ATOM 1136 CH2 TRP A 216 8.095 -6.376 -10.836 1.00 32.13 C ATOM 0 H TRP A 216 6.924 -0.161 -7.929 1.00 55.43 H new ATOM 0 HA TRP A 216 6.149 -0.164 -10.657 1.00 34.31 H new ATOM 0 HB2 TRP A 216 5.442 -1.936 -8.277 1.00 61.02 H new ATOM 0 HB3 TRP A 216 4.919 -2.291 -9.911 1.00 61.02 H new ATOM 0 HD1 TRP A 216 8.518 -1.057 -9.112 1.00 23.14 H new ATOM 0 HE1 TRP A 216 10.199 -2.917 -9.746 1.00 42.55 H new ATOM 0 HE3 TRP A 216 5.166 -4.736 -10.272 1.00 52.22 H new ATOM 0 HZ2 TRP A 216 10.067 -5.584 -10.608 1.00 40.12 H new ATOM 0 HZ3 TRP A 216 6.024 -6.929 -10.996 1.00 33.12 H new ATOM 0 HH2 TRP A 216 8.446 -7.348 -11.151 1.00 32.13 H new ATOM 1147 N LEU A 217 3.927 0.873 -8.532 1.00 74.04 N ATOM 1148 CA LEU A 217 2.551 1.325 -8.300 1.00 74.14 C ATOM 1149 C LEU A 217 2.428 2.857 -8.411 1.00 44.01 C ATOM 1150 O LEU A 217 1.569 3.476 -7.780 1.00 11.24 O ATOM 1151 CB LEU A 217 2.110 0.844 -6.911 1.00 73.44 C ATOM 1152 CG LEU A 217 2.323 -0.663 -6.666 1.00 44.31 C ATOM 1153 CD1 LEU A 217 2.000 -1.037 -5.225 1.00 45.31 C ATOM 1154 CD2 LEU A 217 1.489 -1.495 -7.640 1.00 74.14 C ATOM 0 H LEU A 217 4.569 1.095 -7.771 1.00 74.04 H new ATOM 0 HA LEU A 217 1.902 0.902 -9.067 1.00 74.14 H new ATOM 0 HB2 LEU A 217 2.658 1.405 -6.154 1.00 73.44 H new ATOM 0 HB3 LEU A 217 1.054 1.077 -6.777 1.00 73.44 H new ATOM 0 HG LEU A 217 3.376 -0.884 -6.842 1.00 44.31 H new ATOM 0 HD11 LEU A 217 2.159 -2.106 -5.082 1.00 45.31 H new ATOM 0 HD12 LEU A 217 2.650 -0.480 -4.550 1.00 45.31 H new ATOM 0 HD13 LEU A 217 0.959 -0.793 -5.010 1.00 45.31 H new ATOM 0 HD21 LEU A 217 1.656 -2.555 -7.448 1.00 74.14 H new ATOM 0 HD22 LEU A 217 0.433 -1.263 -7.504 1.00 74.14 H new ATOM 0 HD23 LEU A 217 1.783 -1.261 -8.663 1.00 74.14 H new ATOM 1166 N THR A 218 3.274 3.457 -9.243 1.00 11.00 N ATOM 1167 CA THR A 218 3.310 4.918 -9.410 1.00 12.33 C ATOM 1168 C THR A 218 1.990 5.486 -9.969 1.00 11.31 C ATOM 1169 O THR A 218 1.594 5.168 -11.093 1.00 52.43 O ATOM 1170 CB THR A 218 4.465 5.349 -10.353 1.00 54.51 C ATOM 1171 OG1 THR A 218 5.731 4.929 -9.820 1.00 62.13 O ATOM 1172 CG2 THR A 218 4.481 6.862 -10.558 1.00 71.23 C ATOM 0 H THR A 218 3.951 2.956 -9.818 1.00 11.00 H new ATOM 0 HA THR A 218 3.469 5.323 -8.411 1.00 12.33 H new ATOM 0 HB THR A 218 4.296 4.869 -11.317 1.00 54.51 H new ATOM 0 HG1 THR A 218 5.869 3.979 -10.015 1.00 62.13 H new ATOM 0 HG21 THR A 218 5.302 7.130 -11.223 1.00 71.23 H new ATOM 0 HG22 THR A 218 3.537 7.179 -11.000 1.00 71.23 H new ATOM 0 HG23 THR A 218 4.616 7.358 -9.597 1.00 71.23 H new ATOM 1180 N GLY A 219 1.317 6.322 -9.177 1.00 63.22 N ATOM 1181 CA GLY A 219 0.167 7.084 -9.666 1.00 31.32 C ATOM 1182 C GLY A 219 -1.169 6.340 -9.618 1.00 64.01 C ATOM 1183 O GLY A 219 -2.171 6.833 -10.145 1.00 35.13 O ATOM 0 H GLY A 219 1.547 6.488 -8.197 1.00 63.22 H new ATOM 0 HA2 GLY A 219 0.079 7.997 -9.078 1.00 31.32 H new ATOM 0 HA3 GLY A 219 0.361 7.386 -10.695 1.00 31.32 H new ATOM 1187 N GLU A 220 -1.204 5.170 -8.984 1.00 43.14 N ATOM 1188 CA GLU A 220 -2.441 4.378 -8.904 1.00 71.34 C ATOM 1189 C GLU A 220 -2.946 4.238 -7.460 1.00 51.34 C ATOM 1190 O GLU A 220 -2.241 4.558 -6.497 1.00 54.13 O ATOM 1191 CB GLU A 220 -2.228 2.999 -9.543 1.00 14.51 C ATOM 1192 CG GLU A 220 -1.127 2.173 -8.891 1.00 30.03 C ATOM 1193 CD GLU A 220 -0.815 0.907 -9.673 1.00 63.51 C ATOM 1194 OE1 GLU A 220 -0.026 0.979 -10.638 1.00 33.40 O ATOM 1195 OE2 GLU A 220 -1.370 -0.159 -9.342 1.00 24.54 O ATOM 0 H GLU A 220 -0.400 4.747 -8.520 1.00 43.14 H new ATOM 0 HA GLU A 220 -3.212 4.912 -9.460 1.00 71.34 H new ATOM 0 HB2 GLU A 220 -3.163 2.440 -9.495 1.00 14.51 H new ATOM 0 HB3 GLU A 220 -1.990 3.133 -10.598 1.00 14.51 H new ATOM 0 HG2 GLU A 220 -0.224 2.777 -8.807 1.00 30.03 H new ATOM 0 HG3 GLU A 220 -1.427 1.907 -7.878 1.00 30.03 H new ATOM 1202 N GLU A 221 -4.186 3.767 -7.322 1.00 41.44 N ATOM 1203 CA GLU A 221 -4.832 3.637 -6.013 1.00 4.21 C ATOM 1204 C GLU A 221 -4.831 2.180 -5.520 1.00 24.01 C ATOM 1205 O GLU A 221 -5.385 1.287 -6.168 1.00 3.35 O ATOM 1206 CB GLU A 221 -6.279 4.154 -6.076 1.00 3.02 C ATOM 1207 CG GLU A 221 -6.408 5.653 -6.350 1.00 52.54 C ATOM 1208 CD GLU A 221 -5.884 6.072 -7.716 1.00 75.15 C ATOM 1209 OE1 GLU A 221 -6.279 5.454 -8.727 1.00 34.45 O ATOM 1210 OE2 GLU A 221 -5.098 7.037 -7.792 1.00 51.41 O ATOM 0 H GLU A 221 -4.767 3.467 -8.105 1.00 41.44 H new ATOM 0 HA GLU A 221 -4.258 4.238 -5.307 1.00 4.21 H new ATOM 0 HB2 GLU A 221 -6.812 3.608 -6.855 1.00 3.02 H new ATOM 0 HB3 GLU A 221 -6.774 3.927 -5.132 1.00 3.02 H new ATOM 0 HG2 GLU A 221 -7.457 5.939 -6.269 1.00 52.54 H new ATOM 0 HG3 GLU A 221 -5.867 6.202 -5.579 1.00 52.54 H new ATOM 1217 N LEU A 222 -4.221 1.956 -4.363 1.00 74.22 N ATOM 1218 CA LEU A 222 -4.162 0.624 -3.757 1.00 63.05 C ATOM 1219 C LEU A 222 -5.306 0.412 -2.754 1.00 33.34 C ATOM 1220 O LEU A 222 -5.695 1.333 -2.037 1.00 15.41 O ATOM 1221 CB LEU A 222 -2.820 0.433 -3.042 1.00 13.42 C ATOM 1222 CG LEU A 222 -1.573 0.667 -3.906 1.00 42.24 C ATOM 1223 CD1 LEU A 222 -0.305 0.443 -3.086 1.00 31.55 C ATOM 1224 CD2 LEU A 222 -1.595 -0.231 -5.146 1.00 45.15 C ATOM 0 H LEU A 222 -3.756 2.683 -3.819 1.00 74.22 H new ATOM 0 HA LEU A 222 -4.265 -0.109 -4.557 1.00 63.05 H new ATOM 0 HB2 LEU A 222 -2.783 1.111 -2.189 1.00 13.42 H new ATOM 0 HB3 LEU A 222 -2.781 -0.581 -2.645 1.00 13.42 H new ATOM 0 HG LEU A 222 -1.578 1.703 -4.245 1.00 42.24 H new ATOM 0 HD11 LEU A 222 0.569 0.613 -3.714 1.00 31.55 H new ATOM 0 HD12 LEU A 222 -0.288 1.136 -2.245 1.00 31.55 H new ATOM 0 HD13 LEU A 222 -0.290 -0.581 -2.712 1.00 31.55 H new ATOM 0 HD21 LEU A 222 -0.702 -0.048 -5.744 1.00 45.15 H new ATOM 0 HD22 LEU A 222 -1.618 -1.276 -4.838 1.00 45.15 H new ATOM 0 HD23 LEU A 222 -2.481 -0.009 -5.741 1.00 45.15 H new ATOM 1236 N HIS A 223 -5.832 -0.808 -2.701 1.00 53.14 N ATOM 1237 CA HIS A 223 -6.882 -1.159 -1.740 1.00 41.54 C ATOM 1238 C HIS A 223 -6.321 -2.094 -0.660 1.00 42.24 C ATOM 1239 O HIS A 223 -5.993 -3.245 -0.935 1.00 74.31 O ATOM 1240 CB HIS A 223 -8.068 -1.821 -2.456 1.00 63.31 C ATOM 1241 CG HIS A 223 -8.684 -0.960 -3.522 1.00 50.45 C ATOM 1242 ND1 HIS A 223 -9.665 -0.027 -3.267 1.00 11.33 N ATOM 1243 CD2 HIS A 223 -8.450 -0.894 -4.854 1.00 44.33 C ATOM 1244 CE1 HIS A 223 -10.004 0.574 -4.389 1.00 72.03 C ATOM 1245 NE2 HIS A 223 -9.284 0.068 -5.370 1.00 10.44 N ATOM 0 H HIS A 223 -5.550 -1.574 -3.312 1.00 53.14 H new ATOM 0 HA HIS A 223 -7.235 -0.245 -1.263 1.00 41.54 H new ATOM 0 HB2 HIS A 223 -7.734 -2.757 -2.904 1.00 63.31 H new ATOM 0 HB3 HIS A 223 -8.831 -2.074 -1.720 1.00 63.31 H new ATOM 0 HD2 HIS A 223 -7.739 -1.488 -5.409 1.00 44.33 H new ATOM 0 HE1 HIS A 223 -10.747 1.351 -4.488 1.00 72.03 H new ATOM 0 HE2 HIS A 223 -9.337 0.345 -6.350 1.00 10.44 H new ATOM 1254 N VAL A 224 -6.182 -1.585 0.559 1.00 4.14 N ATOM 1255 CA VAL A 224 -5.639 -2.375 1.671 1.00 54.12 C ATOM 1256 C VAL A 224 -6.732 -2.752 2.680 1.00 63.14 C ATOM 1257 O VAL A 224 -7.714 -2.023 2.859 1.00 62.53 O ATOM 1258 CB VAL A 224 -4.509 -1.599 2.402 1.00 2.52 C ATOM 1259 CG1 VAL A 224 -3.929 -2.411 3.565 1.00 2.02 C ATOM 1260 CG2 VAL A 224 -3.412 -1.212 1.415 1.00 73.30 C ATOM 0 H VAL A 224 -6.436 -0.629 0.808 1.00 4.14 H new ATOM 0 HA VAL A 224 -5.229 -3.290 1.243 1.00 54.12 H new ATOM 0 HB VAL A 224 -4.942 -0.691 2.822 1.00 2.52 H new ATOM 0 HG11 VAL A 224 -3.141 -1.837 4.053 1.00 2.02 H new ATOM 0 HG12 VAL A 224 -4.718 -2.630 4.285 1.00 2.02 H new ATOM 0 HG13 VAL A 224 -3.515 -3.345 3.186 1.00 2.02 H new ATOM 0 HG21 VAL A 224 -2.626 -0.669 1.939 1.00 73.30 H new ATOM 0 HG22 VAL A 224 -2.993 -2.112 0.965 1.00 73.30 H new ATOM 0 HG23 VAL A 224 -3.832 -0.578 0.634 1.00 73.30 H new ATOM 1270 N GLU A 225 -6.571 -3.907 3.320 1.00 71.35 N ATOM 1271 CA GLU A 225 -7.475 -4.329 4.393 1.00 24.35 C ATOM 1272 C GLU A 225 -6.727 -5.152 5.453 1.00 1.31 C ATOM 1273 O GLU A 225 -5.648 -5.684 5.196 1.00 42.24 O ATOM 1274 CB GLU A 225 -8.658 -5.133 3.830 1.00 14.30 C ATOM 1275 CG GLU A 225 -8.272 -6.450 3.165 1.00 50.45 C ATOM 1276 CD GLU A 225 -9.489 -7.269 2.767 1.00 32.35 C ATOM 1277 OE1 GLU A 225 -10.047 -7.968 3.640 1.00 64.34 O ATOM 1278 OE2 GLU A 225 -9.906 -7.204 1.588 1.00 73.31 O ATOM 0 H GLU A 225 -5.823 -4.570 3.116 1.00 71.35 H new ATOM 0 HA GLU A 225 -7.865 -3.430 4.870 1.00 24.35 H new ATOM 0 HB2 GLU A 225 -9.357 -5.341 4.640 1.00 14.30 H new ATOM 0 HB3 GLU A 225 -9.187 -4.516 3.104 1.00 14.30 H new ATOM 0 HG2 GLU A 225 -7.668 -6.246 2.281 1.00 50.45 H new ATOM 0 HG3 GLU A 225 -7.652 -7.032 3.847 1.00 50.45 H new ATOM 1285 N VAL A 226 -7.304 -5.248 6.647 1.00 23.51 N ATOM 1286 CA VAL A 226 -6.665 -5.960 7.758 1.00 61.52 C ATOM 1287 C VAL A 226 -6.923 -7.478 7.688 1.00 33.42 C ATOM 1288 O VAL A 226 -8.057 -7.917 7.482 1.00 51.25 O ATOM 1289 CB VAL A 226 -7.162 -5.420 9.125 1.00 51.25 C ATOM 1290 CG1 VAL A 226 -6.447 -6.107 10.287 1.00 53.14 C ATOM 1291 CG2 VAL A 226 -6.980 -3.906 9.207 1.00 1.11 C ATOM 0 H VAL A 226 -8.212 -4.843 6.874 1.00 23.51 H new ATOM 0 HA VAL A 226 -5.593 -5.785 7.668 1.00 61.52 H new ATOM 0 HB VAL A 226 -8.225 -5.647 9.203 1.00 51.25 H new ATOM 0 HG11 VAL A 226 -6.818 -5.706 11.230 1.00 53.14 H new ATOM 0 HG12 VAL A 226 -6.638 -7.180 10.248 1.00 53.14 H new ATOM 0 HG13 VAL A 226 -5.375 -5.926 10.212 1.00 53.14 H new ATOM 0 HG21 VAL A 226 -7.335 -3.549 10.174 1.00 1.11 H new ATOM 0 HG22 VAL A 226 -5.924 -3.660 9.095 1.00 1.11 H new ATOM 0 HG23 VAL A 226 -7.551 -3.427 8.411 1.00 1.11 H new ATOM 1301 N LEU A 227 -5.859 -8.271 7.845 1.00 34.50 N ATOM 1302 CA LEU A 227 -5.981 -9.734 7.908 1.00 72.13 C ATOM 1303 C LEU A 227 -6.695 -10.154 9.198 1.00 3.40 C ATOM 1304 O LEU A 227 -7.577 -11.009 9.186 1.00 1.02 O ATOM 1305 CB LEU A 227 -4.594 -10.397 7.839 1.00 21.13 C ATOM 1306 CG LEU A 227 -3.842 -10.224 6.509 1.00 71.23 C ATOM 1307 CD1 LEU A 227 -2.441 -10.832 6.597 1.00 4.20 C ATOM 1308 CD2 LEU A 227 -4.633 -10.850 5.361 1.00 1.35 C ATOM 0 H LEU A 227 -4.903 -7.926 7.931 1.00 34.50 H new ATOM 0 HA LEU A 227 -6.570 -10.064 7.052 1.00 72.13 H new ATOM 0 HB2 LEU A 227 -3.977 -9.991 8.641 1.00 21.13 H new ATOM 0 HB3 LEU A 227 -4.710 -11.463 8.034 1.00 21.13 H new ATOM 0 HG LEU A 227 -3.737 -9.157 6.310 1.00 71.23 H new ATOM 0 HD11 LEU A 227 -1.926 -10.699 5.646 1.00 4.20 H new ATOM 0 HD12 LEU A 227 -1.878 -10.335 7.387 1.00 4.20 H new ATOM 0 HD13 LEU A 227 -2.519 -11.896 6.821 1.00 4.20 H new ATOM 0 HD21 LEU A 227 -4.086 -10.718 4.428 1.00 1.35 H new ATOM 0 HD22 LEU A 227 -4.772 -11.914 5.553 1.00 1.35 H new ATOM 0 HD23 LEU A 227 -5.606 -10.365 5.283 1.00 1.35 H new