USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 714 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 185 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 189 HIS : no HD1:sc= -0.848 X(o=-5.2,f=-5.7) USER MOD Set 1.3: A 192 GLN : amide:sc= -4.38! C(o=-5.2!,f=-5.7!) USER MOD Set 2.1: A 159 GLN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 2.2: A 162 ASN : amide:sc= -1.21 K(o=-1.2,f=-3!) USER MOD Single : A 163 CYS SG : rot -73:sc= -0.374 USER MOD Single : A 165 GLN : amide:sc= -0.361 K(o=-0.36,f=-1.5) USER MOD Single : A 167 MET CE :methyl 160:sc= -5.21! (180deg=-6.46!) USER MOD Single : A 173 HIS :FLIP no HD1:sc= -1.44 F(o=-3.1!,f=-1.4) USER MOD Single : A 174 SER OG : rot -44:sc= 0.487 USER MOD Single : A 179 TYR OH : rot 180:sc= 0 USER MOD Single : A 180 THR OG1 : rot 71:sc= 1.07 USER MOD Single : A 183 LYS NZ :NH3+ -163:sc= -4.06! (180deg=-4.91!) USER MOD Single : A 184 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.32) USER MOD Single : A 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 194 GLN : amide:sc= -1.95 K(o=-2,f=-3.9!) USER MOD Single : A 195 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 196 THR OG1 : rot -73:sc= 1.18 USER MOD Single : A 201 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0.039) USER MOD Single : A 204 HIS : no HD1:sc= -3.21 K(o=-3.2,f=-4.4!) USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 SER OG : rot 77:sc= 1.16 USER MOD Single : A 217 CYS SG : rot 180:sc= -0.0942 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= -2.15! C(o=-2.2!,f=-3.2!) USER MOD Single : A 220 ASN :FLIP amide:sc= -0.498 F(o=-2.2!,f=-0.5) USER MOD Single : A 222 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 230 ASN : amide:sc= -0.0525 K(o=-0.053,f=-0.66) USER MOD Single : A 232 ASN : amide:sc= 0.0729 X(o=0.073,f=-0.36) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD Single : A 246 SER OG : rot 83:sc= 0.927 USER MOD Single : A 248 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0197) USER MOD ----------------------------------------------------------------- ATOM 82 N GLN A 159 -8.461 -10.652 2.767 1.00 0.00 N ATOM 83 CA GLN A 159 -7.534 -11.388 1.916 1.00 0.00 C ATOM 84 C GLN A 159 -6.756 -10.439 1.010 1.00 0.00 C ATOM 85 O GLN A 159 -7.311 -9.478 0.477 1.00 0.00 O ATOM 86 CB GLN A 159 -8.291 -12.414 1.069 1.00 0.00 C ATOM 87 CG GLN A 159 -8.866 -13.565 1.879 1.00 0.00 C ATOM 88 CD GLN A 159 -9.472 -14.646 1.006 1.00 0.00 C ATOM 89 OE1 GLN A 159 -10.483 -14.427 0.338 1.00 0.00 O ATOM 90 NE2 GLN A 159 -8.857 -15.823 1.008 1.00 0.00 N ATOM 0 HA GLN A 159 -6.826 -11.910 2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -9.102 -11.911 0.542 1.00 0.00 H new ATOM 0 HB3 GLN A 159 -7.618 -12.815 0.311 1.00 0.00 H new ATOM 0 HG2 GLN A 159 -8.079 -14.000 2.495 1.00 0.00 H new ATOM 0 HG3 GLN A 159 -9.628 -13.182 2.558 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -8.022 -15.961 1.577 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -9.220 -16.589 0.441 1.00 0.00 H new ATOM 99 N VAL A 160 -5.467 -10.715 0.841 1.00 0.00 N ATOM 100 CA VAL A 160 -4.612 -9.886 -0.001 1.00 0.00 C ATOM 101 C VAL A 160 -5.328 -9.487 -1.286 1.00 0.00 C ATOM 102 O VAL A 160 -5.218 -8.349 -1.742 1.00 0.00 O ATOM 103 CB VAL A 160 -3.303 -10.614 -0.360 1.00 0.00 C ATOM 104 CG1 VAL A 160 -3.599 -11.924 -1.075 1.00 0.00 C ATOM 105 CG2 VAL A 160 -2.414 -9.721 -1.213 1.00 0.00 C ATOM 0 H VAL A 160 -4.992 -11.506 1.276 1.00 0.00 H new ATOM 0 HA VAL A 160 -4.375 -8.990 0.573 1.00 0.00 H new ATOM 0 HB VAL A 160 -2.770 -10.844 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -2.662 -12.424 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -4.194 -12.566 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -4.153 -11.721 -1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -1.493 -10.251 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -2.937 -9.459 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -2.174 -8.813 -0.661 1.00 0.00 H new ATOM 115 N GLY A 161 -6.062 -10.431 -1.867 1.00 0.00 N ATOM 116 CA GLY A 161 -6.786 -10.158 -3.095 1.00 0.00 C ATOM 117 C GLY A 161 -7.878 -9.123 -2.906 1.00 0.00 C ATOM 118 O GLY A 161 -8.120 -8.299 -3.787 1.00 0.00 O ATOM 0 H GLY A 161 -6.168 -11.380 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -6.087 -9.810 -3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -7.227 -11.083 -3.467 1.00 0.00 H new ATOM 122 N ASN A 162 -8.540 -9.167 -1.754 1.00 0.00 N ATOM 123 CA ASN A 162 -9.614 -8.228 -1.454 1.00 0.00 C ATOM 124 C ASN A 162 -9.309 -7.441 -0.183 1.00 0.00 C ATOM 125 O ASN A 162 -10.211 -7.118 0.591 1.00 0.00 O ATOM 126 CB ASN A 162 -10.942 -8.971 -1.300 1.00 0.00 C ATOM 127 CG ASN A 162 -10.841 -10.145 -0.345 1.00 0.00 C ATOM 128 OD1 ASN A 162 -10.748 -11.297 -0.768 1.00 0.00 O ATOM 129 ND2 ASN A 162 -10.859 -9.856 0.951 1.00 0.00 N ATOM 0 H ASN A 162 -8.351 -9.843 -1.014 1.00 0.00 H new ATOM 0 HA ASN A 162 -9.692 -7.527 -2.285 1.00 0.00 H new ATOM 0 HB2 ASN A 162 -11.703 -8.278 -0.941 1.00 0.00 H new ATOM 0 HB3 ASN A 162 -11.271 -9.328 -2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 162 -10.794 -10.604 1.641 1.00 0.00 H new ATOM 0 HD22 ASN A 162 -10.938 -8.886 1.256 1.00 0.00 H new ATOM 136 N CYS A 163 -8.033 -7.136 0.026 1.00 0.00 N ATOM 137 CA CYS A 163 -7.608 -6.387 1.203 1.00 0.00 C ATOM 138 C CYS A 163 -7.650 -4.886 0.937 1.00 0.00 C ATOM 139 O CYS A 163 -8.006 -4.099 1.815 1.00 0.00 O ATOM 140 CB CYS A 163 -6.197 -6.805 1.617 1.00 0.00 C ATOM 141 SG CYS A 163 -4.892 -6.172 0.537 1.00 0.00 S ATOM 0 H CYS A 163 -7.275 -7.396 -0.605 1.00 0.00 H new ATOM 0 HA CYS A 163 -8.299 -6.613 2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -6.011 -6.460 2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -6.143 -7.894 1.635 1.00 0.00 H new ATOM 0 HG CYS A 163 -4.918 -6.810 -0.595 1.00 0.00 H new ATOM 147 N LEU A 164 -7.282 -4.496 -0.278 1.00 0.00 N ATOM 148 CA LEU A 164 -7.276 -3.088 -0.660 1.00 0.00 C ATOM 149 C LEU A 164 -8.681 -2.499 -0.592 1.00 0.00 C ATOM 150 O LEU A 164 -8.904 -1.477 0.057 1.00 0.00 O ATOM 151 CB LEU A 164 -6.711 -2.925 -2.073 1.00 0.00 C ATOM 152 CG LEU A 164 -5.285 -3.435 -2.288 1.00 0.00 C ATOM 153 CD1 LEU A 164 -4.843 -3.193 -3.723 1.00 0.00 C ATOM 154 CD2 LEU A 164 -4.327 -2.765 -1.313 1.00 0.00 C ATOM 0 H LEU A 164 -6.984 -5.134 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 164 -6.641 -2.549 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -7.370 -3.444 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -6.741 -1.867 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 164 -5.271 -4.509 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -3.826 -3.562 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -5.513 -3.718 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -4.873 -2.125 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -3.317 -3.139 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -4.344 -1.686 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -4.633 -2.989 -0.291 1.00 0.00 H new ATOM 166 N GLN A 165 -9.624 -3.151 -1.263 1.00 0.00 N ATOM 167 CA GLN A 165 -11.008 -2.692 -1.276 1.00 0.00 C ATOM 168 C GLN A 165 -11.547 -2.548 0.143 1.00 0.00 C ATOM 169 O GLN A 165 -12.161 -1.537 0.485 1.00 0.00 O ATOM 170 CB GLN A 165 -11.883 -3.664 -2.071 1.00 0.00 C ATOM 171 CG GLN A 165 -13.373 -3.440 -1.875 1.00 0.00 C ATOM 172 CD GLN A 165 -13.888 -2.236 -2.639 1.00 0.00 C ATOM 173 OE1 GLN A 165 -13.149 -1.603 -3.395 1.00 0.00 O ATOM 174 NE2 GLN A 165 -15.161 -1.912 -2.447 1.00 0.00 N ATOM 0 H GLN A 165 -9.455 -3.999 -1.805 1.00 0.00 H new ATOM 0 HA GLN A 165 -11.035 -1.714 -1.756 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -11.646 -3.570 -3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -11.636 -4.685 -1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -13.916 -4.329 -2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -13.580 -3.307 -0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -15.737 -2.464 -1.812 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -15.563 -1.111 -2.935 1.00 0.00 H new ATOM 183 N VAL A 166 -11.315 -3.566 0.965 1.00 0.00 N ATOM 184 CA VAL A 166 -11.777 -3.553 2.348 1.00 0.00 C ATOM 185 C VAL A 166 -11.162 -2.391 3.122 1.00 0.00 C ATOM 186 O VAL A 166 -11.868 -1.489 3.571 1.00 0.00 O ATOM 187 CB VAL A 166 -11.436 -4.871 3.067 1.00 0.00 C ATOM 188 CG1 VAL A 166 -11.530 -4.698 4.575 1.00 0.00 C ATOM 189 CG2 VAL A 166 -12.353 -5.989 2.592 1.00 0.00 C ATOM 0 H VAL A 166 -10.810 -4.411 0.697 1.00 0.00 H new ATOM 0 HA VAL A 166 -12.860 -3.434 2.318 1.00 0.00 H new ATOM 0 HB VAL A 166 -10.410 -5.144 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -11.285 -5.640 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -10.829 -3.929 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -12.543 -4.401 4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -12.098 -6.913 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -13.389 -5.726 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -12.230 -6.129 1.518 1.00 0.00 H new ATOM 199 N MET A 167 -9.842 -2.421 3.272 1.00 0.00 N ATOM 200 CA MET A 167 -9.132 -1.369 3.990 1.00 0.00 C ATOM 201 C MET A 167 -9.560 0.010 3.498 1.00 0.00 C ATOM 202 O MET A 167 -9.788 0.920 4.295 1.00 0.00 O ATOM 203 CB MET A 167 -7.621 -1.537 3.820 1.00 0.00 C ATOM 204 CG MET A 167 -7.052 -0.767 2.640 1.00 0.00 C ATOM 205 SD MET A 167 -5.291 -1.070 2.396 1.00 0.00 S ATOM 206 CE MET A 167 -4.582 0.161 3.487 1.00 0.00 C ATOM 0 H MET A 167 -9.243 -3.161 2.906 1.00 0.00 H new ATOM 0 HA MET A 167 -9.383 -1.452 5.047 1.00 0.00 H new ATOM 0 HB2 MET A 167 -7.123 -1.208 4.732 1.00 0.00 H new ATOM 0 HB3 MET A 167 -7.393 -2.596 3.696 1.00 0.00 H new ATOM 0 HG2 MET A 167 -7.593 -1.044 1.735 1.00 0.00 H new ATOM 0 HG3 MET A 167 -7.215 0.300 2.795 1.00 0.00 H new ATOM 0 HE1 MET A 167 -3.555 -0.114 3.727 1.00 0.00 H new ATOM 0 HE2 MET A 167 -4.592 1.133 2.994 1.00 0.00 H new ATOM 0 HE3 MET A 167 -5.167 0.214 4.405 1.00 0.00 H new ATOM 216 N TRP A 168 -9.666 0.157 2.182 1.00 0.00 N ATOM 217 CA TRP A 168 -10.067 1.426 1.585 1.00 0.00 C ATOM 218 C TRP A 168 -11.342 1.954 2.233 1.00 0.00 C ATOM 219 O TRP A 168 -11.334 3.006 2.874 1.00 0.00 O ATOM 220 CB TRP A 168 -10.276 1.260 0.079 1.00 0.00 C ATOM 221 CG TRP A 168 -10.184 2.550 -0.679 1.00 0.00 C ATOM 222 CD1 TRP A 168 -9.060 3.104 -1.220 1.00 0.00 C ATOM 223 CD2 TRP A 168 -11.259 3.447 -0.976 1.00 0.00 C ATOM 224 NE1 TRP A 168 -9.371 4.292 -1.837 1.00 0.00 N ATOM 225 CE2 TRP A 168 -10.714 4.524 -1.702 1.00 0.00 C ATOM 226 CE3 TRP A 168 -12.630 3.445 -0.703 1.00 0.00 C ATOM 227 CZ2 TRP A 168 -11.492 5.587 -2.155 1.00 0.00 C ATOM 228 CZ3 TRP A 168 -13.400 4.500 -1.152 1.00 0.00 C ATOM 229 CH2 TRP A 168 -12.830 5.559 -1.872 1.00 0.00 C ATOM 0 H TRP A 168 -9.480 -0.586 1.509 1.00 0.00 H new ATOM 0 HA TRP A 168 -9.269 2.149 1.757 1.00 0.00 H new ATOM 0 HB2 TRP A 168 -9.532 0.565 -0.309 1.00 0.00 H new ATOM 0 HB3 TRP A 168 -11.254 0.812 -0.098 1.00 0.00 H new ATOM 0 HD1 TRP A 168 -8.071 2.672 -1.170 1.00 0.00 H new ATOM 0 HE1 TRP A 168 -8.709 4.902 -2.317 1.00 0.00 H new ATOM 0 HE3 TRP A 168 -13.079 2.633 -0.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 168 -11.055 6.404 -2.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 168 -14.460 4.509 -0.945 1.00 0.00 H new ATOM 0 HH2 TRP A 168 -13.460 6.369 -2.210 1.00 0.00 H new ATOM 240 N LEU A 169 -12.435 1.219 2.063 1.00 0.00 N ATOM 241 CA LEU A 169 -13.719 1.614 2.633 1.00 0.00 C ATOM 242 C LEU A 169 -13.591 1.884 4.129 1.00 0.00 C ATOM 243 O LEU A 169 -14.069 2.902 4.629 1.00 0.00 O ATOM 244 CB LEU A 169 -14.765 0.526 2.387 1.00 0.00 C ATOM 245 CG LEU A 169 -15.560 0.640 1.086 1.00 0.00 C ATOM 246 CD1 LEU A 169 -14.748 0.108 -0.085 1.00 0.00 C ATOM 247 CD2 LEU A 169 -16.883 -0.103 1.202 1.00 0.00 C ATOM 0 H LEU A 169 -12.458 0.346 1.535 1.00 0.00 H new ATOM 0 HA LEU A 169 -14.039 2.534 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 169 -14.263 -0.442 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 169 -15.468 0.531 3.220 1.00 0.00 H new ATOM 0 HG LEU A 169 -15.773 1.693 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 169 -15.330 0.197 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 169 -13.828 0.685 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 169 -14.503 -0.940 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 169 -17.435 -0.011 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 169 -16.692 -1.156 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 169 -17.471 0.325 2.014 1.00 0.00 H new ATOM 259 N ALA A 170 -12.941 0.966 4.837 1.00 0.00 N ATOM 260 CA ALA A 170 -12.747 1.107 6.274 1.00 0.00 C ATOM 261 C ALA A 170 -12.167 2.474 6.619 1.00 0.00 C ATOM 262 O ALA A 170 -12.724 3.207 7.436 1.00 0.00 O ATOM 263 CB ALA A 170 -11.841 0.001 6.795 1.00 0.00 C ATOM 0 H ALA A 170 -12.540 0.117 4.438 1.00 0.00 H new ATOM 0 HA ALA A 170 -13.721 1.023 6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 170 -11.705 0.119 7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 170 -12.296 -0.968 6.591 1.00 0.00 H new ATOM 0 HB3 ALA A 170 -10.873 0.059 6.298 1.00 0.00 H new ATOM 269 N ASP A 171 -11.046 2.811 5.991 1.00 0.00 N ATOM 270 CA ASP A 171 -10.390 4.092 6.231 1.00 0.00 C ATOM 271 C ASP A 171 -11.367 5.247 6.037 1.00 0.00 C ATOM 272 O ASP A 171 -11.374 6.204 6.811 1.00 0.00 O ATOM 273 CB ASP A 171 -9.192 4.258 5.295 1.00 0.00 C ATOM 274 CG ASP A 171 -8.447 5.557 5.534 1.00 0.00 C ATOM 275 OD1 ASP A 171 -8.465 6.049 6.682 1.00 0.00 O ATOM 276 OD2 ASP A 171 -7.847 6.082 4.573 1.00 0.00 O ATOM 0 H ASP A 171 -10.572 2.215 5.312 1.00 0.00 H new ATOM 0 HA ASP A 171 -10.040 4.106 7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -8.509 3.420 5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -9.535 4.224 4.261 1.00 0.00 H new ATOM 281 N ARG A 172 -12.190 5.151 4.998 1.00 0.00 N ATOM 282 CA ARG A 172 -13.170 6.189 4.701 1.00 0.00 C ATOM 283 C ARG A 172 -14.208 6.292 5.814 1.00 0.00 C ATOM 284 O ARG A 172 -14.683 7.382 6.136 1.00 0.00 O ATOM 285 CB ARG A 172 -13.863 5.900 3.368 1.00 0.00 C ATOM 286 CG ARG A 172 -12.897 5.650 2.221 1.00 0.00 C ATOM 287 CD ARG A 172 -12.362 6.954 1.649 1.00 0.00 C ATOM 288 NE ARG A 172 -13.224 7.486 0.598 1.00 0.00 N ATOM 289 CZ ARG A 172 -13.095 8.705 0.088 1.00 0.00 C ATOM 290 NH1 ARG A 172 -12.142 9.515 0.530 1.00 0.00 N ATOM 291 NH2 ARG A 172 -13.919 9.117 -0.867 1.00 0.00 N ATOM 0 H ARG A 172 -12.198 4.365 4.348 1.00 0.00 H new ATOM 0 HA ARG A 172 -12.643 7.141 4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -14.508 5.029 3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -14.507 6.742 3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -12.066 5.037 2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -13.401 5.087 1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -12.269 7.689 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -11.361 6.791 1.249 1.00 0.00 H new ATOM 0 HE ARG A 172 -13.967 6.888 0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -11.506 9.202 1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -12.045 10.451 0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -14.653 8.497 -1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -13.819 10.054 -1.258 1.00 0.00 H new ATOM 305 N HIS A 173 -14.556 5.150 6.399 1.00 0.00 N ATOM 306 CA HIS A 173 -15.538 5.111 7.476 1.00 0.00 C ATOM 307 C HIS A 173 -14.853 5.173 8.838 1.00 0.00 C ATOM 308 O HIS A 173 -15.387 4.688 9.835 1.00 0.00 O ATOM 309 CB HIS A 173 -16.387 3.843 7.377 1.00 0.00 C ATOM 310 CG HIS A 173 -16.894 3.569 5.994 1.00 0.00 C ATOM 311 ND1 HIS A 173 -16.576 2.593 5.112 1.00 0.00 N flip ATOM 312 CD2 HIS A 173 -17.845 4.351 5.373 1.00 0.00 C flip ATOM 313 CE1 HIS A 173 -17.334 2.801 3.985 1.00 0.00 C flip ATOM 314 NE2 HIS A 173 -18.091 3.867 4.169 1.00 0.00 N flip ATOM 0 H HIS A 173 -14.172 4.240 6.145 1.00 0.00 H new ATOM 0 HA HIS A 173 -16.186 5.981 7.374 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -15.795 2.992 7.714 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -17.235 3.930 8.056 1.00 0.00 H new ATOM 0 HD2 HIS A 173 -18.315 5.223 5.804 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -17.314 2.192 3.094 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -18.753 4.252 3.495 1.00 0.00 H new ATOM 322 N SER A 174 -13.667 5.773 8.872 1.00 0.00 N ATOM 323 CA SER A 174 -12.907 5.894 10.110 1.00 0.00 C ATOM 324 C SER A 174 -12.926 4.582 10.890 1.00 0.00 C ATOM 325 O SER A 174 -13.065 4.577 12.113 1.00 0.00 O ATOM 326 CB SER A 174 -13.474 7.022 10.974 1.00 0.00 C ATOM 327 OG SER A 174 -12.653 7.262 12.103 1.00 0.00 O ATOM 0 H SER A 174 -13.212 6.183 8.056 1.00 0.00 H new ATOM 0 HA SER A 174 -11.874 6.128 9.851 1.00 0.00 H new ATOM 0 HB2 SER A 174 -13.556 7.932 10.380 1.00 0.00 H new ATOM 0 HB3 SER A 174 -14.481 6.763 11.301 1.00 0.00 H new ATOM 0 HG SER A 174 -12.391 6.407 12.505 1.00 0.00 H new ATOM 333 N ASP A 175 -12.786 3.473 10.173 1.00 0.00 N ATOM 334 CA ASP A 175 -12.786 2.155 10.796 1.00 0.00 C ATOM 335 C ASP A 175 -11.364 1.620 10.935 1.00 0.00 C ATOM 336 O ASP A 175 -10.781 1.084 9.992 1.00 0.00 O ATOM 337 CB ASP A 175 -13.633 1.180 9.977 1.00 0.00 C ATOM 338 CG ASP A 175 -14.242 0.084 10.829 1.00 0.00 C ATOM 339 OD1 ASP A 175 -14.444 0.317 12.040 1.00 0.00 O ATOM 340 OD2 ASP A 175 -14.517 -1.006 10.286 1.00 0.00 O ATOM 0 H ASP A 175 -12.671 3.460 9.160 1.00 0.00 H new ATOM 0 HA ASP A 175 -13.218 2.251 11.792 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -14.429 1.729 9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -13.015 0.731 9.200 1.00 0.00 H new ATOM 345 N PRO A 176 -10.790 1.768 12.139 1.00 0.00 N ATOM 346 CA PRO A 176 -9.430 1.307 12.430 1.00 0.00 C ATOM 347 C PRO A 176 -9.328 -0.215 12.460 1.00 0.00 C ATOM 348 O PRO A 176 -8.372 -0.791 11.941 1.00 0.00 O ATOM 349 CB PRO A 176 -9.147 1.889 13.817 1.00 0.00 C ATOM 350 CG PRO A 176 -10.490 2.062 14.436 1.00 0.00 C ATOM 351 CD PRO A 176 -11.427 2.397 13.308 1.00 0.00 C ATOM 0 HA PRO A 176 -8.720 1.625 11.667 1.00 0.00 H new ATOM 0 HB2 PRO A 176 -8.522 1.219 14.408 1.00 0.00 H new ATOM 0 HB3 PRO A 176 -8.618 2.839 13.747 1.00 0.00 H new ATOM 0 HG2 PRO A 176 -10.804 1.152 14.947 1.00 0.00 H new ATOM 0 HG3 PRO A 176 -10.477 2.857 15.181 1.00 0.00 H new ATOM 0 HD2 PRO A 176 -12.426 1.999 13.484 1.00 0.00 H new ATOM 0 HD3 PRO A 176 -11.531 3.474 13.178 1.00 0.00 H new ATOM 359 N GLU A 177 -10.318 -0.858 13.069 1.00 0.00 N ATOM 360 CA GLU A 177 -10.338 -2.313 13.167 1.00 0.00 C ATOM 361 C GLU A 177 -10.096 -2.952 11.802 1.00 0.00 C ATOM 362 O GLU A 177 -9.125 -3.686 11.611 1.00 0.00 O ATOM 363 CB GLU A 177 -11.676 -2.790 13.736 1.00 0.00 C ATOM 364 CG GLU A 177 -11.905 -2.377 15.180 1.00 0.00 C ATOM 365 CD GLU A 177 -11.004 -3.118 16.149 1.00 0.00 C ATOM 366 OE1 GLU A 177 -11.322 -4.279 16.484 1.00 0.00 O ATOM 367 OE2 GLU A 177 -9.982 -2.539 16.572 1.00 0.00 O ATOM 0 H GLU A 177 -11.117 -0.395 13.502 1.00 0.00 H new ATOM 0 HA GLU A 177 -9.537 -2.618 13.840 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -12.484 -2.394 13.121 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -11.724 -3.877 13.666 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -11.735 -1.305 15.279 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -12.946 -2.560 15.446 1.00 0.00 H new ATOM 374 N LEU A 178 -10.986 -2.670 10.857 1.00 0.00 N ATOM 375 CA LEU A 178 -10.870 -3.217 9.510 1.00 0.00 C ATOM 376 C LEU A 178 -9.658 -2.638 8.788 1.00 0.00 C ATOM 377 O LEU A 178 -8.740 -3.367 8.411 1.00 0.00 O ATOM 378 CB LEU A 178 -12.141 -2.927 8.710 1.00 0.00 C ATOM 379 CG LEU A 178 -12.263 -3.637 7.361 1.00 0.00 C ATOM 380 CD1 LEU A 178 -12.232 -5.146 7.548 1.00 0.00 C ATOM 381 CD2 LEU A 178 -13.537 -3.212 6.647 1.00 0.00 C ATOM 0 H LEU A 178 -11.796 -2.066 10.999 1.00 0.00 H new ATOM 0 HA LEU A 178 -10.738 -4.296 9.593 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -13.001 -3.201 9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -12.201 -1.852 8.539 1.00 0.00 H new ATOM 0 HG LEU A 178 -11.412 -3.350 6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -12.320 -5.635 6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -11.291 -5.435 8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -13.063 -5.451 8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -13.607 -3.727 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -14.401 -3.468 7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -13.518 -2.135 6.479 1.00 0.00 H new ATOM 393 N TYR A 179 -9.660 -1.322 8.602 1.00 0.00 N ATOM 394 CA TYR A 179 -8.560 -0.645 7.926 1.00 0.00 C ATOM 395 C TYR A 179 -7.215 -1.212 8.370 1.00 0.00 C ATOM 396 O TYR A 179 -6.402 -1.634 7.547 1.00 0.00 O ATOM 397 CB TYR A 179 -8.610 0.858 8.206 1.00 0.00 C ATOM 398 CG TYR A 179 -7.635 1.662 7.376 1.00 0.00 C ATOM 399 CD1 TYR A 179 -7.457 1.393 6.025 1.00 0.00 C ATOM 400 CD2 TYR A 179 -6.891 2.690 7.943 1.00 0.00 C ATOM 401 CE1 TYR A 179 -6.567 2.124 5.262 1.00 0.00 C ATOM 402 CE2 TYR A 179 -6.000 3.427 7.188 1.00 0.00 C ATOM 403 CZ TYR A 179 -5.841 3.140 5.848 1.00 0.00 C ATOM 404 OH TYR A 179 -4.953 3.871 5.093 1.00 0.00 O ATOM 0 H TYR A 179 -10.411 -0.704 8.910 1.00 0.00 H new ATOM 0 HA TYR A 179 -8.668 -0.812 6.854 1.00 0.00 H new ATOM 0 HB2 TYR A 179 -9.620 1.221 8.017 1.00 0.00 H new ATOM 0 HB3 TYR A 179 -8.402 1.029 9.262 1.00 0.00 H new ATOM 0 HD1 TYR A 179 -8.024 0.599 5.563 1.00 0.00 H new ATOM 0 HD2 TYR A 179 -7.012 2.916 8.992 1.00 0.00 H new ATOM 0 HE1 TYR A 179 -6.440 1.901 4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 179 -5.431 4.224 7.644 1.00 0.00 H new ATOM 0 HH TYR A 179 -4.524 4.548 5.657 1.00 0.00 H new ATOM 414 N THR A 180 -6.987 -1.219 9.680 1.00 0.00 N ATOM 415 CA THR A 180 -5.741 -1.733 10.236 1.00 0.00 C ATOM 416 C THR A 180 -5.478 -3.160 9.768 1.00 0.00 C ATOM 417 O THR A 180 -4.409 -3.461 9.238 1.00 0.00 O ATOM 418 CB THR A 180 -5.760 -1.705 11.776 1.00 0.00 C ATOM 419 OG1 THR A 180 -5.977 -0.368 12.239 1.00 0.00 O ATOM 420 CG2 THR A 180 -4.452 -2.237 12.342 1.00 0.00 C ATOM 0 H THR A 180 -7.649 -0.875 10.375 1.00 0.00 H new ATOM 0 HA THR A 180 -4.943 -1.083 9.878 1.00 0.00 H new ATOM 0 HB THR A 180 -6.573 -2.344 12.119 1.00 0.00 H new ATOM 0 HG1 THR A 180 -6.902 -0.104 12.054 1.00 0.00 H new ATOM 0 HG21 THR A 180 -4.488 -2.208 13.431 1.00 0.00 H new ATOM 0 HG22 THR A 180 -4.304 -3.265 12.011 1.00 0.00 H new ATOM 0 HG23 THR A 180 -3.625 -1.620 11.990 1.00 0.00 H new ATOM 428 N ALA A 181 -6.460 -4.033 9.966 1.00 0.00 N ATOM 429 CA ALA A 181 -6.334 -5.428 9.561 1.00 0.00 C ATOM 430 C ALA A 181 -5.945 -5.540 8.091 1.00 0.00 C ATOM 431 O ALA A 181 -4.835 -5.957 7.763 1.00 0.00 O ATOM 432 CB ALA A 181 -7.635 -6.172 9.824 1.00 0.00 C ATOM 0 H ALA A 181 -7.351 -3.799 10.404 1.00 0.00 H new ATOM 0 HA ALA A 181 -5.541 -5.884 10.154 1.00 0.00 H new ATOM 0 HB1 ALA A 181 -7.528 -7.212 9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 181 -7.870 -6.130 10.888 1.00 0.00 H new ATOM 0 HB3 ALA A 181 -8.441 -5.708 9.256 1.00 0.00 H new ATOM 438 N ALA A 182 -6.867 -5.166 7.210 1.00 0.00 N ATOM 439 CA ALA A 182 -6.619 -5.223 5.775 1.00 0.00 C ATOM 440 C ALA A 182 -5.292 -4.563 5.420 1.00 0.00 C ATOM 441 O ALA A 182 -4.537 -5.068 4.589 1.00 0.00 O ATOM 442 CB ALA A 182 -7.760 -4.561 5.015 1.00 0.00 C ATOM 0 H ALA A 182 -7.792 -4.820 7.465 1.00 0.00 H new ATOM 0 HA ALA A 182 -6.562 -6.272 5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 182 -7.561 -4.611 3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 182 -8.693 -5.079 5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 182 -7.844 -3.518 5.320 1.00 0.00 H new ATOM 448 N LYS A 183 -5.012 -3.429 6.054 1.00 0.00 N ATOM 449 CA LYS A 183 -3.774 -2.698 5.806 1.00 0.00 C ATOM 450 C LYS A 183 -2.559 -3.568 6.109 1.00 0.00 C ATOM 451 O LYS A 183 -1.619 -3.637 5.317 1.00 0.00 O ATOM 452 CB LYS A 183 -3.730 -1.427 6.656 1.00 0.00 C ATOM 453 CG LYS A 183 -2.524 -0.548 6.373 1.00 0.00 C ATOM 454 CD LYS A 183 -2.763 0.886 6.816 1.00 0.00 C ATOM 455 CE LYS A 183 -3.407 0.944 8.193 1.00 0.00 C ATOM 456 NZ LYS A 183 -4.891 0.843 8.115 1.00 0.00 N ATOM 0 H LYS A 183 -5.626 -2.996 6.744 1.00 0.00 H new ATOM 0 HA LYS A 183 -3.748 -2.423 4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -4.638 -0.851 6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -3.727 -1.705 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -1.651 -0.949 6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -2.300 -0.568 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -1.816 1.425 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -3.404 1.390 6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -3.020 0.133 8.810 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -3.132 1.877 8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -5.309 1.169 9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -5.239 1.436 7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -5.163 -0.146 7.946 1.00 0.00 H new ATOM 470 N HIS A 184 -2.584 -4.232 7.261 1.00 0.00 N ATOM 471 CA HIS A 184 -1.485 -5.100 7.667 1.00 0.00 C ATOM 472 C HIS A 184 -1.205 -6.158 6.604 1.00 0.00 C ATOM 473 O HIS A 184 -0.055 -6.385 6.228 1.00 0.00 O ATOM 474 CB HIS A 184 -1.805 -5.774 9.002 1.00 0.00 C ATOM 475 CG HIS A 184 -1.486 -4.924 10.194 1.00 0.00 C ATOM 476 ND1 HIS A 184 -1.280 -5.443 11.454 1.00 0.00 N ATOM 477 CD2 HIS A 184 -1.336 -3.584 10.311 1.00 0.00 C ATOM 478 CE1 HIS A 184 -1.019 -4.459 12.296 1.00 0.00 C ATOM 479 NE2 HIS A 184 -1.046 -3.321 11.627 1.00 0.00 N ATOM 0 H HIS A 184 -3.353 -4.185 7.929 1.00 0.00 H new ATOM 0 HA HIS A 184 -0.594 -4.484 7.784 1.00 0.00 H new ATOM 0 HB2 HIS A 184 -2.863 -6.034 9.024 1.00 0.00 H new ATOM 0 HB3 HIS A 184 -1.246 -6.707 9.072 1.00 0.00 H new ATOM 0 HD2 HIS A 184 -1.427 -2.857 9.517 1.00 0.00 H new ATOM 0 HE1 HIS A 184 -0.818 -4.567 13.352 1.00 0.00 H new ATOM 0 HE2 HIS A 184 -0.879 -2.396 12.024 1.00 0.00 H new ATOM 487 N CYS A 185 -2.264 -6.801 6.125 1.00 0.00 N ATOM 488 CA CYS A 185 -2.133 -7.837 5.106 1.00 0.00 C ATOM 489 C CYS A 185 -1.608 -7.250 3.799 1.00 0.00 C ATOM 490 O CYS A 185 -0.968 -7.943 3.009 1.00 0.00 O ATOM 491 CB CYS A 185 -3.480 -8.520 4.867 1.00 0.00 C ATOM 492 SG CYS A 185 -3.348 -10.229 4.292 1.00 0.00 S ATOM 0 H CYS A 185 -3.222 -6.624 6.425 1.00 0.00 H new ATOM 0 HA CYS A 185 -1.418 -8.577 5.465 1.00 0.00 H new ATOM 0 HB2 CYS A 185 -4.054 -8.503 5.794 1.00 0.00 H new ATOM 0 HB3 CYS A 185 -4.043 -7.943 4.133 1.00 0.00 H new ATOM 0 HG CYS A 185 -4.538 -10.722 4.120 1.00 0.00 H new ATOM 498 N ALA A 186 -1.885 -5.969 3.578 1.00 0.00 N ATOM 499 CA ALA A 186 -1.440 -5.289 2.368 1.00 0.00 C ATOM 500 C ALA A 186 0.063 -5.037 2.400 1.00 0.00 C ATOM 501 O ALA A 186 0.776 -5.343 1.444 1.00 0.00 O ATOM 502 CB ALA A 186 -2.194 -3.979 2.191 1.00 0.00 C ATOM 0 H ALA A 186 -2.415 -5.381 4.221 1.00 0.00 H new ATOM 0 HA ALA A 186 -1.654 -5.936 1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 186 -1.852 -3.482 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 186 -3.262 -4.182 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 186 -2.009 -3.334 3.050 1.00 0.00 H new ATOM 508 N LYS A 187 0.540 -4.476 3.506 1.00 0.00 N ATOM 509 CA LYS A 187 1.960 -4.183 3.665 1.00 0.00 C ATOM 510 C LYS A 187 2.795 -5.453 3.542 1.00 0.00 C ATOM 511 O LYS A 187 3.849 -5.456 2.905 1.00 0.00 O ATOM 512 CB LYS A 187 2.216 -3.520 5.020 1.00 0.00 C ATOM 513 CG LYS A 187 1.693 -4.324 6.199 1.00 0.00 C ATOM 514 CD LYS A 187 2.197 -3.768 7.520 1.00 0.00 C ATOM 515 CE LYS A 187 1.922 -4.727 8.669 1.00 0.00 C ATOM 516 NZ LYS A 187 2.934 -4.596 9.754 1.00 0.00 N ATOM 0 H LYS A 187 -0.036 -4.215 4.306 1.00 0.00 H new ATOM 0 HA LYS A 187 2.255 -3.498 2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 187 3.288 -3.366 5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 187 1.749 -2.535 5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 187 0.603 -4.315 6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 187 2.004 -5.364 6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 187 3.268 -3.578 7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 187 1.716 -2.811 7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 187 0.928 -4.534 9.074 1.00 0.00 H new ATOM 0 HE3 LYS A 187 1.920 -5.751 8.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 187 2.712 -5.266 10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 187 3.879 -4.805 9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 187 2.918 -3.626 10.128 1.00 0.00 H new ATOM 530 N THR A 188 2.317 -6.532 4.154 1.00 0.00 N ATOM 531 CA THR A 188 3.020 -7.808 4.112 1.00 0.00 C ATOM 532 C THR A 188 2.971 -8.417 2.716 1.00 0.00 C ATOM 533 O THR A 188 3.920 -9.069 2.278 1.00 0.00 O ATOM 534 CB THR A 188 2.424 -8.811 5.118 1.00 0.00 C ATOM 535 OG1 THR A 188 3.118 -10.060 5.034 1.00 0.00 O ATOM 536 CG2 THR A 188 0.942 -9.029 4.852 1.00 0.00 C ATOM 0 H THR A 188 1.446 -6.547 4.685 1.00 0.00 H new ATOM 0 HA THR A 188 4.057 -7.606 4.381 1.00 0.00 H new ATOM 0 HB THR A 188 2.540 -8.399 6.120 1.00 0.00 H new ATOM 0 HG1 THR A 188 2.734 -10.691 5.678 1.00 0.00 H new ATOM 0 HG21 THR A 188 0.543 -9.741 5.575 1.00 0.00 H new ATOM 0 HG22 THR A 188 0.412 -8.081 4.946 1.00 0.00 H new ATOM 0 HG23 THR A 188 0.807 -9.421 3.844 1.00 0.00 H new ATOM 544 N HIS A 189 1.860 -8.201 2.019 1.00 0.00 N ATOM 545 CA HIS A 189 1.688 -8.728 0.670 1.00 0.00 C ATOM 546 C HIS A 189 1.410 -7.603 -0.322 1.00 0.00 C ATOM 547 O HIS A 189 0.454 -7.665 -1.096 1.00 0.00 O ATOM 548 CB HIS A 189 0.547 -9.745 0.638 1.00 0.00 C ATOM 549 CG HIS A 189 0.748 -10.901 1.568 1.00 0.00 C ATOM 550 ND1 HIS A 189 1.917 -11.632 1.618 1.00 0.00 N ATOM 551 CD2 HIS A 189 -0.077 -11.451 2.490 1.00 0.00 C ATOM 552 CE1 HIS A 189 1.801 -12.582 2.528 1.00 0.00 C ATOM 553 NE2 HIS A 189 0.600 -12.494 3.072 1.00 0.00 N ATOM 0 H HIS A 189 1.065 -7.664 2.366 1.00 0.00 H new ATOM 0 HA HIS A 189 2.615 -9.224 0.380 1.00 0.00 H new ATOM 0 HB2 HIS A 189 -0.385 -9.241 0.894 1.00 0.00 H new ATOM 0 HB3 HIS A 189 0.436 -10.122 -0.379 1.00 0.00 H new ATOM 0 HD2 HIS A 189 -1.081 -11.129 2.724 1.00 0.00 H new ATOM 0 HE1 HIS A 189 2.559 -13.308 2.784 1.00 0.00 H new ATOM 0 HE2 HIS A 189 0.235 -13.102 3.805 1.00 0.00 H new ATOM 561 N LEU A 190 2.251 -6.574 -0.293 1.00 0.00 N ATOM 562 CA LEU A 190 2.096 -5.434 -1.190 1.00 0.00 C ATOM 563 C LEU A 190 2.235 -5.863 -2.647 1.00 0.00 C ATOM 564 O LEU A 190 1.422 -5.493 -3.493 1.00 0.00 O ATOM 565 CB LEU A 190 3.133 -4.358 -0.862 1.00 0.00 C ATOM 566 CG LEU A 190 2.723 -2.916 -1.165 1.00 0.00 C ATOM 567 CD1 LEU A 190 3.652 -1.938 -0.463 1.00 0.00 C ATOM 568 CD2 LEU A 190 2.720 -2.667 -2.667 1.00 0.00 C ATOM 0 H LEU A 190 3.047 -6.506 0.342 1.00 0.00 H new ATOM 0 HA LEU A 190 1.097 -5.024 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 190 3.379 -4.430 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 190 4.045 -4.579 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 190 1.712 -2.759 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 190 3.345 -0.917 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.604 -2.100 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 190 4.674 -2.095 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 190 2.426 -1.636 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 190 3.719 -2.842 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 190 2.013 -3.344 -3.147 1.00 0.00 H new ATOM 580 N ALA A 191 3.268 -6.649 -2.931 1.00 0.00 N ATOM 581 CA ALA A 191 3.511 -7.133 -4.284 1.00 0.00 C ATOM 582 C ALA A 191 2.225 -7.646 -4.922 1.00 0.00 C ATOM 583 O ALA A 191 1.793 -7.142 -5.959 1.00 0.00 O ATOM 584 CB ALA A 191 4.569 -8.226 -4.272 1.00 0.00 C ATOM 0 H ALA A 191 3.950 -6.964 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 191 3.875 -6.298 -4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 191 4.740 -8.578 -5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 191 5.498 -7.828 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 191 4.228 -9.056 -3.654 1.00 0.00 H new ATOM 590 N GLN A 192 1.619 -8.650 -4.297 1.00 0.00 N ATOM 591 CA GLN A 192 0.383 -9.232 -4.806 1.00 0.00 C ATOM 592 C GLN A 192 -0.609 -8.142 -5.201 1.00 0.00 C ATOM 593 O GLN A 192 -1.531 -8.381 -5.982 1.00 0.00 O ATOM 594 CB GLN A 192 -0.243 -10.152 -3.756 1.00 0.00 C ATOM 595 CG GLN A 192 0.455 -11.496 -3.632 1.00 0.00 C ATOM 596 CD GLN A 192 0.201 -12.164 -2.295 1.00 0.00 C ATOM 597 OE1 GLN A 192 -0.884 -12.691 -2.047 1.00 0.00 O ATOM 598 NE2 GLN A 192 1.204 -12.147 -1.425 1.00 0.00 N ATOM 0 H GLN A 192 1.964 -9.077 -3.437 1.00 0.00 H new ATOM 0 HA GLN A 192 0.625 -9.817 -5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 192 -0.224 -9.651 -2.788 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -1.290 -10.318 -4.008 1.00 0.00 H new ATOM 0 HG2 GLN A 192 0.115 -12.153 -4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 192 1.528 -11.358 -3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 192 2.086 -11.699 -1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 192 1.092 -12.582 -0.509 1.00 0.00 H new ATOM 607 N LEU A 193 -0.415 -6.946 -4.656 1.00 0.00 N ATOM 608 CA LEU A 193 -1.292 -5.819 -4.951 1.00 0.00 C ATOM 609 C LEU A 193 -0.654 -4.884 -5.973 1.00 0.00 C ATOM 610 O LEU A 193 -1.346 -4.269 -6.783 1.00 0.00 O ATOM 611 CB LEU A 193 -1.614 -5.049 -3.670 1.00 0.00 C ATOM 612 CG LEU A 193 -1.850 -5.896 -2.419 1.00 0.00 C ATOM 613 CD1 LEU A 193 -1.831 -5.025 -1.172 1.00 0.00 C ATOM 614 CD2 LEU A 193 -3.167 -6.650 -2.525 1.00 0.00 C ATOM 0 H LEU A 193 0.342 -6.732 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 193 -2.217 -6.212 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -0.794 -4.360 -3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -2.503 -4.444 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 193 -1.043 -6.624 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -2.001 -5.646 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -0.862 -4.532 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -2.616 -4.272 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -3.318 -7.247 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -3.986 -5.939 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -3.142 -7.305 -3.396 1.00 0.00 H new ATOM 626 N GLN A 194 0.671 -4.785 -5.930 1.00 0.00 N ATOM 627 CA GLN A 194 1.403 -3.926 -6.853 1.00 0.00 C ATOM 628 C GLN A 194 1.190 -4.372 -8.296 1.00 0.00 C ATOM 629 O GLN A 194 1.317 -3.578 -9.227 1.00 0.00 O ATOM 630 CB GLN A 194 2.896 -3.937 -6.518 1.00 0.00 C ATOM 631 CG GLN A 194 3.681 -4.996 -7.275 1.00 0.00 C ATOM 632 CD GLN A 194 5.177 -4.882 -7.054 1.00 0.00 C ATOM 633 OE1 GLN A 194 5.964 -4.976 -7.996 1.00 0.00 O ATOM 634 NE2 GLN A 194 5.577 -4.677 -5.804 1.00 0.00 N ATOM 0 H GLN A 194 1.259 -5.289 -5.266 1.00 0.00 H new ATOM 0 HA GLN A 194 1.021 -2.911 -6.746 1.00 0.00 H new ATOM 0 HB2 GLN A 194 3.317 -2.956 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 194 3.019 -4.102 -5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 194 3.346 -5.985 -6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 194 3.467 -4.909 -8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 194 4.890 -4.605 -5.054 1.00 0.00 H new ATOM 0 HE22 GLN A 194 6.572 -4.591 -5.594 1.00 0.00 H new ATOM 643 N ASN A 195 0.867 -5.649 -8.474 1.00 0.00 N ATOM 644 CA ASN A 195 0.638 -6.201 -9.804 1.00 0.00 C ATOM 645 C ASN A 195 -0.830 -6.075 -10.200 1.00 0.00 C ATOM 646 O ASN A 195 -1.247 -6.565 -11.250 1.00 0.00 O ATOM 647 CB ASN A 195 1.065 -7.670 -9.851 1.00 0.00 C ATOM 648 CG ASN A 195 1.450 -8.116 -11.248 1.00 0.00 C ATOM 649 OD1 ASN A 195 2.380 -7.578 -11.849 1.00 0.00 O ATOM 650 ND2 ASN A 195 0.734 -9.105 -11.771 1.00 0.00 N ATOM 0 H ASN A 195 0.758 -6.321 -7.714 1.00 0.00 H new ATOM 0 HA ASN A 195 1.238 -5.632 -10.514 1.00 0.00 H new ATOM 0 HB2 ASN A 195 1.909 -7.822 -9.179 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.250 -8.294 -9.485 1.00 0.00 H new ATOM 0 HD21 ASN A 195 0.946 -9.448 -12.708 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -0.028 -9.521 -11.236 1.00 0.00 H new ATOM 657 N THR A 196 -1.611 -5.413 -9.352 1.00 0.00 N ATOM 658 CA THR A 196 -3.033 -5.221 -9.612 1.00 0.00 C ATOM 659 C THR A 196 -3.333 -3.775 -9.989 1.00 0.00 C ATOM 660 O THR A 196 -2.574 -2.867 -9.653 1.00 0.00 O ATOM 661 CB THR A 196 -3.885 -5.609 -8.389 1.00 0.00 C ATOM 662 OG1 THR A 196 -3.755 -4.615 -7.367 1.00 0.00 O ATOM 663 CG2 THR A 196 -3.461 -6.964 -7.842 1.00 0.00 C ATOM 0 H THR A 196 -1.283 -5.001 -8.479 1.00 0.00 H new ATOM 0 HA THR A 196 -3.292 -5.872 -10.447 1.00 0.00 H new ATOM 0 HB THR A 196 -4.926 -5.672 -8.704 1.00 0.00 H new ATOM 0 HG1 THR A 196 -2.872 -4.690 -6.948 1.00 0.00 H new ATOM 0 HG21 THR A 196 -4.077 -7.217 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 196 -3.588 -7.724 -8.613 1.00 0.00 H new ATOM 0 HG23 THR A 196 -2.414 -6.924 -7.542 1.00 0.00 H new ATOM 671 N GLU A 197 -4.446 -3.569 -10.686 1.00 0.00 N ATOM 672 CA GLU A 197 -4.845 -2.231 -11.107 1.00 0.00 C ATOM 673 C GLU A 197 -5.316 -1.403 -9.915 1.00 0.00 C ATOM 674 O GLU A 197 -4.820 -0.302 -9.677 1.00 0.00 O ATOM 675 CB GLU A 197 -5.957 -2.313 -12.156 1.00 0.00 C ATOM 676 CG GLU A 197 -5.485 -2.832 -13.504 1.00 0.00 C ATOM 677 CD GLU A 197 -6.586 -2.834 -14.547 1.00 0.00 C ATOM 678 OE1 GLU A 197 -7.643 -3.447 -14.290 1.00 0.00 O ATOM 679 OE2 GLU A 197 -6.390 -2.224 -15.618 1.00 0.00 O ATOM 0 H GLU A 197 -5.086 -4.310 -10.971 1.00 0.00 H new ATOM 0 HA GLU A 197 -3.976 -1.742 -11.546 1.00 0.00 H new ATOM 0 HB2 GLU A 197 -6.749 -2.962 -11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 197 -6.393 -1.323 -12.290 1.00 0.00 H new ATOM 0 HG2 GLU A 197 -4.657 -2.217 -13.856 1.00 0.00 H new ATOM 0 HG3 GLU A 197 -5.101 -3.845 -13.385 1.00 0.00 H new ATOM 686 N GLU A 198 -6.277 -1.941 -9.171 1.00 0.00 N ATOM 687 CA GLU A 198 -6.816 -1.252 -8.005 1.00 0.00 C ATOM 688 C GLU A 198 -5.708 -0.542 -7.232 1.00 0.00 C ATOM 689 O GLU A 198 -5.740 0.676 -7.057 1.00 0.00 O ATOM 690 CB GLU A 198 -7.539 -2.241 -7.088 1.00 0.00 C ATOM 691 CG GLU A 198 -8.696 -1.625 -6.320 1.00 0.00 C ATOM 692 CD GLU A 198 -9.369 -2.613 -5.387 1.00 0.00 C ATOM 693 OE1 GLU A 198 -8.691 -3.117 -4.468 1.00 0.00 O ATOM 694 OE2 GLU A 198 -10.573 -2.883 -5.577 1.00 0.00 O ATOM 0 H GLU A 198 -6.698 -2.852 -9.355 1.00 0.00 H new ATOM 0 HA GLU A 198 -7.528 -0.505 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 198 -7.913 -3.072 -7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 198 -6.823 -2.656 -6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 198 -8.332 -0.775 -5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 198 -9.431 -1.239 -7.026 1.00 0.00 H new ATOM 701 N PHE A 199 -4.728 -1.314 -6.771 1.00 0.00 N ATOM 702 CA PHE A 199 -3.611 -0.761 -6.016 1.00 0.00 C ATOM 703 C PHE A 199 -3.090 0.515 -6.671 1.00 0.00 C ATOM 704 O PHE A 199 -2.860 1.522 -6.000 1.00 0.00 O ATOM 705 CB PHE A 199 -2.483 -1.789 -5.907 1.00 0.00 C ATOM 706 CG PHE A 199 -1.216 -1.230 -5.324 1.00 0.00 C ATOM 707 CD1 PHE A 199 -1.120 -0.969 -3.966 1.00 0.00 C ATOM 708 CD2 PHE A 199 -0.123 -0.966 -6.132 1.00 0.00 C ATOM 709 CE1 PHE A 199 0.044 -0.454 -3.427 1.00 0.00 C ATOM 710 CE2 PHE A 199 1.044 -0.452 -5.598 1.00 0.00 C ATOM 711 CZ PHE A 199 1.128 -0.196 -4.244 1.00 0.00 C ATOM 0 H PHE A 199 -4.686 -2.324 -6.908 1.00 0.00 H new ATOM 0 HA PHE A 199 -3.967 -0.515 -5.016 1.00 0.00 H new ATOM 0 HB2 PHE A 199 -2.820 -2.622 -5.291 1.00 0.00 H new ATOM 0 HB3 PHE A 199 -2.271 -2.191 -6.898 1.00 0.00 H new ATOM 0 HD1 PHE A 199 -1.964 -1.170 -3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 199 -0.183 -1.164 -7.192 1.00 0.00 H new ATOM 0 HE1 PHE A 199 0.106 -0.253 -2.368 1.00 0.00 H new ATOM 0 HE2 PHE A 199 1.889 -0.251 -6.240 1.00 0.00 H new ATOM 0 HZ PHE A 199 2.039 0.205 -3.824 1.00 0.00 H new ATOM 721 N LEU A 200 -2.905 0.465 -7.986 1.00 0.00 N ATOM 722 CA LEU A 200 -2.411 1.616 -8.733 1.00 0.00 C ATOM 723 C LEU A 200 -3.465 2.717 -8.798 1.00 0.00 C ATOM 724 O LEU A 200 -3.141 3.891 -8.981 1.00 0.00 O ATOM 725 CB LEU A 200 -2.009 1.196 -10.148 1.00 0.00 C ATOM 726 CG LEU A 200 -0.945 0.102 -10.246 1.00 0.00 C ATOM 727 CD1 LEU A 200 -1.144 -0.725 -11.507 1.00 0.00 C ATOM 728 CD2 LEU A 200 0.450 0.710 -10.219 1.00 0.00 C ATOM 0 H LEU A 200 -3.090 -0.360 -8.556 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.536 2.006 -8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.902 0.855 -10.672 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -1.646 2.077 -10.678 1.00 0.00 H new ATOM 0 HG LEU A 200 -1.049 -0.557 -9.384 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -0.378 -1.498 -11.560 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -2.129 -1.191 -11.485 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -1.068 -0.079 -12.382 1.00 0.00 H new ATOM 0 HD21 LEU A 200 1.194 -0.083 -10.290 1.00 0.00 H new ATOM 0 HD22 LEU A 200 0.566 1.392 -11.061 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.590 1.257 -9.287 1.00 0.00 H new ATOM 740 N HIS A 201 -4.727 2.330 -8.644 1.00 0.00 N ATOM 741 CA HIS A 201 -5.829 3.285 -8.683 1.00 0.00 C ATOM 742 C HIS A 201 -6.017 3.953 -7.324 1.00 0.00 C ATOM 743 O HIS A 201 -6.721 4.956 -7.205 1.00 0.00 O ATOM 744 CB HIS A 201 -7.123 2.587 -9.103 1.00 0.00 C ATOM 745 CG HIS A 201 -7.235 2.373 -10.581 1.00 0.00 C ATOM 746 ND1 HIS A 201 -8.276 2.869 -11.337 1.00 0.00 N ATOM 747 CD2 HIS A 201 -6.427 1.712 -11.444 1.00 0.00 C ATOM 748 CE1 HIS A 201 -8.105 2.522 -12.600 1.00 0.00 C ATOM 749 NE2 HIS A 201 -6.990 1.820 -12.692 1.00 0.00 N ATOM 0 H HIS A 201 -5.012 1.363 -8.491 1.00 0.00 H new ATOM 0 HA HIS A 201 -5.585 4.053 -9.416 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -7.186 1.623 -8.599 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -7.973 3.180 -8.765 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -5.511 1.196 -11.197 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -8.765 2.770 -13.418 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -6.609 1.423 -13.551 1.00 0.00 H new ATOM 757 N LEU A 202 -5.382 3.391 -6.301 1.00 0.00 N ATOM 758 CA LEU A 202 -5.479 3.932 -4.950 1.00 0.00 C ATOM 759 C LEU A 202 -4.822 5.305 -4.864 1.00 0.00 C ATOM 760 O LEU A 202 -3.905 5.630 -5.619 1.00 0.00 O ATOM 761 CB LEU A 202 -4.825 2.977 -3.949 1.00 0.00 C ATOM 762 CG LEU A 202 -5.394 1.559 -3.903 1.00 0.00 C ATOM 763 CD1 LEU A 202 -4.534 0.666 -3.023 1.00 0.00 C ATOM 764 CD2 LEU A 202 -6.832 1.577 -3.404 1.00 0.00 C ATOM 0 H LEU A 202 -4.795 2.561 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 202 -6.535 4.040 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -3.762 2.913 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -4.909 3.413 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 202 -5.386 1.153 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -4.955 -0.339 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.521 0.627 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -4.508 1.069 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -7.221 0.559 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -6.864 2.004 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 202 -7.442 2.181 -4.075 1.00 0.00 H new ATOM 776 N PRO A 203 -5.299 6.132 -3.922 1.00 0.00 N ATOM 777 CA PRO A 203 -4.770 7.484 -3.714 1.00 0.00 C ATOM 778 C PRO A 203 -3.362 7.471 -3.129 1.00 0.00 C ATOM 779 O PRO A 203 -2.676 6.449 -3.158 1.00 0.00 O ATOM 780 CB PRO A 203 -5.756 8.101 -2.719 1.00 0.00 C ATOM 781 CG PRO A 203 -6.340 6.938 -1.993 1.00 0.00 C ATOM 782 CD PRO A 203 -6.391 5.812 -2.987 1.00 0.00 C ATOM 0 HA PRO A 203 -4.685 8.037 -4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -5.252 8.783 -2.034 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -6.528 8.676 -3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -5.730 6.670 -1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -7.336 7.173 -1.618 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -6.239 4.845 -2.507 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -7.355 5.768 -3.495 1.00 0.00 H new ATOM 790 N HIS A 204 -2.936 8.613 -2.597 1.00 0.00 N ATOM 791 CA HIS A 204 -1.609 8.732 -2.004 1.00 0.00 C ATOM 792 C HIS A 204 -1.663 8.490 -0.499 1.00 0.00 C ATOM 793 O HIS A 204 -0.758 7.884 0.075 1.00 0.00 O ATOM 794 CB HIS A 204 -1.023 10.115 -2.290 1.00 0.00 C ATOM 795 CG HIS A 204 0.194 10.430 -1.475 1.00 0.00 C ATOM 796 ND1 HIS A 204 0.379 11.636 -0.833 1.00 0.00 N ATOM 797 CD2 HIS A 204 1.290 9.686 -1.197 1.00 0.00 C ATOM 798 CE1 HIS A 204 1.537 11.621 -0.197 1.00 0.00 C ATOM 799 NE2 HIS A 204 2.109 10.449 -0.402 1.00 0.00 N ATOM 0 H HIS A 204 -3.491 9.468 -2.565 1.00 0.00 H new ATOM 0 HA HIS A 204 -0.967 7.974 -2.453 1.00 0.00 H new ATOM 0 HB2 HIS A 204 -0.769 10.181 -3.348 1.00 0.00 H new ATOM 0 HB3 HIS A 204 -1.785 10.870 -2.097 1.00 0.00 H new ATOM 0 HD2 HIS A 204 1.484 8.680 -1.537 1.00 0.00 H new ATOM 0 HE1 HIS A 204 1.946 12.430 0.390 1.00 0.00 H new ATOM 0 HE2 HIS A 204 3.013 10.158 -0.030 1.00 0.00 H new ATOM 807 N ARG A 205 -2.729 8.969 0.135 1.00 0.00 N ATOM 808 CA ARG A 205 -2.899 8.806 1.574 1.00 0.00 C ATOM 809 C ARG A 205 -2.846 7.332 1.964 1.00 0.00 C ATOM 810 O ARG A 205 -2.105 6.945 2.868 1.00 0.00 O ATOM 811 CB ARG A 205 -4.228 9.417 2.024 1.00 0.00 C ATOM 812 CG ARG A 205 -5.436 8.852 1.293 1.00 0.00 C ATOM 813 CD ARG A 205 -6.711 9.589 1.673 1.00 0.00 C ATOM 814 NE ARG A 205 -6.831 10.868 0.978 1.00 0.00 N ATOM 815 CZ ARG A 205 -7.003 10.978 -0.334 1.00 0.00 C ATOM 816 NH1 ARG A 205 -7.075 9.891 -1.090 1.00 0.00 N ATOM 817 NH2 ARG A 205 -7.104 12.178 -0.893 1.00 0.00 N ATOM 0 H ARG A 205 -3.487 9.473 -0.325 1.00 0.00 H new ATOM 0 HA ARG A 205 -2.081 9.325 2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -4.351 9.251 3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -4.193 10.496 1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -5.279 8.925 0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -5.543 7.793 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -7.574 8.966 1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -6.725 9.759 2.750 1.00 0.00 H new ATOM 0 HE ARG A 205 -6.780 11.724 1.531 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -6.998 8.967 -0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -7.207 9.978 -2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -7.049 13.016 -0.315 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -7.236 12.262 -1.901 1.00 0.00 H new ATOM 831 N LEU A 206 -3.638 6.515 1.278 1.00 0.00 N ATOM 832 CA LEU A 206 -3.682 5.083 1.553 1.00 0.00 C ATOM 833 C LEU A 206 -2.350 4.422 1.211 1.00 0.00 C ATOM 834 O LEU A 206 -1.817 3.633 1.993 1.00 0.00 O ATOM 835 CB LEU A 206 -4.810 4.425 0.757 1.00 0.00 C ATOM 836 CG LEU A 206 -6.158 4.312 1.471 1.00 0.00 C ATOM 837 CD1 LEU A 206 -7.019 5.532 1.181 1.00 0.00 C ATOM 838 CD2 LEU A 206 -6.877 3.038 1.054 1.00 0.00 C ATOM 0 H LEU A 206 -4.258 6.820 0.528 1.00 0.00 H new ATOM 0 HA LEU A 206 -3.871 4.948 2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 206 -4.955 4.990 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 206 -4.489 3.424 0.469 1.00 0.00 H new ATOM 0 HG LEU A 206 -5.977 4.268 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 206 -7.974 5.434 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 206 -6.508 6.429 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 206 -7.193 5.608 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 206 -7.834 2.974 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 206 -7.047 3.052 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 206 -6.266 2.174 1.314 1.00 0.00 H new ATOM 850 N LEU A 207 -1.817 4.749 0.039 1.00 0.00 N ATOM 851 CA LEU A 207 -0.546 4.189 -0.406 1.00 0.00 C ATOM 852 C LEU A 207 0.564 4.493 0.595 1.00 0.00 C ATOM 853 O LEU A 207 1.149 3.585 1.186 1.00 0.00 O ATOM 854 CB LEU A 207 -0.174 4.745 -1.782 1.00 0.00 C ATOM 855 CG LEU A 207 1.237 4.426 -2.276 1.00 0.00 C ATOM 856 CD1 LEU A 207 1.310 2.998 -2.795 1.00 0.00 C ATOM 857 CD2 LEU A 207 1.659 5.410 -3.357 1.00 0.00 C ATOM 0 H LEU A 207 -2.245 5.399 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 207 -0.660 3.107 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 207 -0.888 4.362 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 207 -0.293 5.828 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 207 1.926 4.522 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 207 2.322 2.788 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 207 1.051 2.306 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 207 0.610 2.875 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 207 2.666 5.168 -3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 207 0.967 5.346 -4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 207 1.646 6.422 -2.953 1.00 0.00 H new ATOM 869 N THR A 208 0.848 5.779 0.783 1.00 0.00 N ATOM 870 CA THR A 208 1.887 6.204 1.713 1.00 0.00 C ATOM 871 C THR A 208 1.701 5.554 3.079 1.00 0.00 C ATOM 872 O THR A 208 2.673 5.199 3.746 1.00 0.00 O ATOM 873 CB THR A 208 1.897 7.735 1.882 1.00 0.00 C ATOM 874 OG1 THR A 208 3.104 8.148 2.532 1.00 0.00 O ATOM 875 CG2 THR A 208 0.695 8.197 2.692 1.00 0.00 C ATOM 0 H THR A 208 0.373 6.544 0.303 1.00 0.00 H new ATOM 0 HA THR A 208 2.840 5.887 1.290 1.00 0.00 H new ATOM 0 HB THR A 208 1.845 8.189 0.892 1.00 0.00 H new ATOM 0 HG1 THR A 208 3.103 9.123 2.634 1.00 0.00 H new ATOM 0 HG21 THR A 208 0.723 9.281 2.799 1.00 0.00 H new ATOM 0 HG22 THR A 208 -0.222 7.906 2.180 1.00 0.00 H new ATOM 0 HG23 THR A 208 0.722 7.735 3.679 1.00 0.00 H new ATOM 883 N ASP A 209 0.447 5.400 3.490 1.00 0.00 N ATOM 884 CA ASP A 209 0.134 4.790 4.777 1.00 0.00 C ATOM 885 C ASP A 209 0.645 3.354 4.837 1.00 0.00 C ATOM 886 O ASP A 209 1.477 3.016 5.680 1.00 0.00 O ATOM 887 CB ASP A 209 -1.375 4.818 5.025 1.00 0.00 C ATOM 888 CG ASP A 209 -1.824 6.088 5.722 1.00 0.00 C ATOM 889 OD1 ASP A 209 -0.977 6.744 6.364 1.00 0.00 O ATOM 890 OD2 ASP A 209 -3.022 6.426 5.624 1.00 0.00 O ATOM 0 H ASP A 209 -0.369 5.689 2.951 1.00 0.00 H new ATOM 0 HA ASP A 209 0.633 5.367 5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 209 -1.898 4.725 4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 209 -1.657 3.956 5.630 1.00 0.00 H new ATOM 895 N ILE A 210 0.141 2.515 3.939 1.00 0.00 N ATOM 896 CA ILE A 210 0.547 1.115 3.891 1.00 0.00 C ATOM 897 C ILE A 210 2.061 0.978 4.013 1.00 0.00 C ATOM 898 O ILE A 210 2.560 0.204 4.831 1.00 0.00 O ATOM 899 CB ILE A 210 0.085 0.440 2.586 1.00 0.00 C ATOM 900 CG1 ILE A 210 -1.424 0.194 2.620 1.00 0.00 C ATOM 901 CG2 ILE A 210 0.836 -0.866 2.371 1.00 0.00 C ATOM 902 CD1 ILE A 210 -2.058 0.132 1.248 1.00 0.00 C ATOM 0 H ILE A 210 -0.548 2.779 3.235 1.00 0.00 H new ATOM 0 HA ILE A 210 0.070 0.618 4.736 1.00 0.00 H new ATOM 0 HB ILE A 210 0.306 1.105 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 210 -1.620 -0.741 3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 210 -1.900 0.988 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.499 -1.331 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 210 1.905 -0.665 2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.643 -1.539 3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -3.129 -0.045 1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -1.894 1.076 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.609 -0.680 0.676 1.00 0.00 H new ATOM 914 N ILE A 211 2.786 1.734 3.196 1.00 0.00 N ATOM 915 CA ILE A 211 4.243 1.698 3.214 1.00 0.00 C ATOM 916 C ILE A 211 4.793 2.355 4.476 1.00 0.00 C ATOM 917 O ILE A 211 5.860 1.986 4.966 1.00 0.00 O ATOM 918 CB ILE A 211 4.840 2.402 1.981 1.00 0.00 C ATOM 919 CG1 ILE A 211 4.534 3.901 2.025 1.00 0.00 C ATOM 920 CG2 ILE A 211 4.295 1.782 0.703 1.00 0.00 C ATOM 921 CD1 ILE A 211 5.392 4.720 1.086 1.00 0.00 C ATOM 0 H ILE A 211 2.388 2.379 2.513 1.00 0.00 H new ATOM 0 HA ILE A 211 4.533 0.647 3.197 1.00 0.00 H new ATOM 0 HB ILE A 211 5.922 2.271 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 211 3.485 4.057 1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 211 4.676 4.263 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 211 4.726 2.290 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 211 4.558 0.725 0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 211 3.210 1.887 0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 211 5.121 5.772 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 211 6.442 4.594 1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 211 5.232 4.385 0.061 1.00 0.00 H new ATOM 933 N SER A 212 4.056 3.331 4.998 1.00 0.00 N ATOM 934 CA SER A 212 4.471 4.041 6.202 1.00 0.00 C ATOM 935 C SER A 212 4.515 3.098 7.401 1.00 0.00 C ATOM 936 O SER A 212 5.303 3.291 8.327 1.00 0.00 O ATOM 937 CB SER A 212 3.517 5.203 6.488 1.00 0.00 C ATOM 938 OG SER A 212 3.897 6.363 5.769 1.00 0.00 O ATOM 0 H SER A 212 3.169 3.648 4.606 1.00 0.00 H new ATOM 0 HA SER A 212 5.473 4.435 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 212 2.501 4.919 6.215 1.00 0.00 H new ATOM 0 HB3 SER A 212 3.512 5.419 7.556 1.00 0.00 H new ATOM 0 HG SER A 212 3.621 6.273 4.833 1.00 0.00 H new ATOM 944 N ASP A 213 3.664 2.079 7.375 1.00 0.00 N ATOM 945 CA ASP A 213 3.606 1.104 8.459 1.00 0.00 C ATOM 946 C ASP A 213 4.749 0.100 8.348 1.00 0.00 C ATOM 947 O ASP A 213 4.775 -0.908 9.054 1.00 0.00 O ATOM 948 CB ASP A 213 2.264 0.371 8.443 1.00 0.00 C ATOM 949 CG ASP A 213 1.866 -0.137 9.814 1.00 0.00 C ATOM 950 OD1 ASP A 213 2.269 -1.265 10.169 1.00 0.00 O ATOM 951 OD2 ASP A 213 1.152 0.593 10.533 1.00 0.00 O ATOM 0 H ASP A 213 3.005 1.906 6.616 1.00 0.00 H new ATOM 0 HA ASP A 213 3.707 1.640 9.403 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.491 1.042 8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 213 2.320 -0.468 7.750 1.00 0.00 H new ATOM 956 N GLY A 214 5.694 0.382 7.456 1.00 0.00 N ATOM 957 CA GLY A 214 6.826 -0.507 7.268 1.00 0.00 C ATOM 958 C GLY A 214 6.483 -1.709 6.411 1.00 0.00 C ATOM 959 O GLY A 214 5.437 -2.332 6.592 1.00 0.00 O ATOM 0 H GLY A 214 5.696 1.210 6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 214 7.644 0.044 6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 214 7.182 -0.848 8.240 1.00 0.00 H new ATOM 963 N VAL A 215 7.366 -2.037 5.473 1.00 0.00 N ATOM 964 CA VAL A 215 7.152 -3.172 4.584 1.00 0.00 C ATOM 965 C VAL A 215 8.278 -4.192 4.713 1.00 0.00 C ATOM 966 O VAL A 215 9.461 -3.851 4.703 1.00 0.00 O ATOM 967 CB VAL A 215 7.047 -2.723 3.114 1.00 0.00 C ATOM 968 CG1 VAL A 215 6.902 -3.927 2.197 1.00 0.00 C ATOM 969 CG2 VAL A 215 5.883 -1.760 2.934 1.00 0.00 C ATOM 0 H VAL A 215 8.237 -1.532 5.309 1.00 0.00 H new ATOM 0 HA VAL A 215 6.211 -3.634 4.883 1.00 0.00 H new ATOM 0 HB VAL A 215 7.965 -2.201 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 215 6.829 -3.590 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 215 7.771 -4.575 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 215 6.001 -4.480 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 215 5.823 -1.453 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 215 4.955 -2.254 3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 215 6.036 -0.883 3.562 1.00 0.00 H new ATOM 979 N PRO A 216 7.904 -5.474 4.837 1.00 0.00 N ATOM 980 CA PRO A 216 8.868 -6.570 4.970 1.00 0.00 C ATOM 981 C PRO A 216 9.643 -6.819 3.681 1.00 0.00 C ATOM 982 O PRO A 216 9.053 -7.011 2.617 1.00 0.00 O ATOM 983 CB PRO A 216 7.988 -7.777 5.306 1.00 0.00 C ATOM 984 CG PRO A 216 6.653 -7.444 4.735 1.00 0.00 C ATOM 985 CD PRO A 216 6.511 -5.952 4.857 1.00 0.00 C ATOM 0 HA PRO A 216 9.628 -6.356 5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 216 8.388 -8.692 4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 216 7.929 -7.937 6.383 1.00 0.00 H new ATOM 0 HG2 PRO A 216 6.584 -7.759 3.694 1.00 0.00 H new ATOM 0 HG3 PRO A 216 5.858 -7.957 5.276 1.00 0.00 H new ATOM 0 HD2 PRO A 216 5.931 -5.535 4.034 1.00 0.00 H new ATOM 0 HD3 PRO A 216 6.003 -5.671 5.779 1.00 0.00 H new ATOM 993 N CYS A 217 10.968 -6.816 3.783 1.00 0.00 N ATOM 994 CA CYS A 217 11.824 -7.041 2.624 1.00 0.00 C ATOM 995 C CYS A 217 11.184 -8.035 1.660 1.00 0.00 C ATOM 996 O CYS A 217 11.311 -7.903 0.443 1.00 0.00 O ATOM 997 CB CYS A 217 13.195 -7.554 3.069 1.00 0.00 C ATOM 998 SG CYS A 217 13.126 -9.010 4.140 1.00 0.00 S ATOM 0 H CYS A 217 11.472 -6.660 4.656 1.00 0.00 H new ATOM 0 HA CYS A 217 11.950 -6.090 2.106 1.00 0.00 H new ATOM 0 HB2 CYS A 217 13.786 -7.794 2.185 1.00 0.00 H new ATOM 0 HB3 CYS A 217 13.717 -6.754 3.594 1.00 0.00 H new ATOM 0 HG CYS A 217 14.333 -9.370 4.461 1.00 0.00 H new ATOM 1004 N SER A 218 10.498 -9.029 2.213 1.00 0.00 N ATOM 1005 CA SER A 218 9.842 -10.049 1.402 1.00 0.00 C ATOM 1006 C SER A 218 9.292 -9.447 0.113 1.00 0.00 C ATOM 1007 O SER A 218 9.701 -9.824 -0.985 1.00 0.00 O ATOM 1008 CB SER A 218 8.711 -10.710 2.192 1.00 0.00 C ATOM 1009 OG SER A 218 9.224 -11.504 3.249 1.00 0.00 O ATOM 0 H SER A 218 10.381 -9.151 3.219 1.00 0.00 H new ATOM 0 HA SER A 218 10.584 -10.804 1.143 1.00 0.00 H new ATOM 0 HB2 SER A 218 8.049 -9.944 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 218 8.111 -11.330 1.525 1.00 0.00 H new ATOM 0 HG SER A 218 8.482 -11.914 3.740 1.00 0.00 H new ATOM 1015 N GLN A 219 8.362 -8.508 0.255 1.00 0.00 N ATOM 1016 CA GLN A 219 7.755 -7.853 -0.898 1.00 0.00 C ATOM 1017 C GLN A 219 8.599 -6.670 -1.359 1.00 0.00 C ATOM 1018 O GLN A 219 9.360 -6.097 -0.581 1.00 0.00 O ATOM 1019 CB GLN A 219 6.340 -7.383 -0.557 1.00 0.00 C ATOM 1020 CG GLN A 219 5.477 -8.461 0.079 1.00 0.00 C ATOM 1021 CD GLN A 219 5.343 -9.693 -0.795 1.00 0.00 C ATOM 1022 OE1 GLN A 219 4.484 -9.754 -1.675 1.00 0.00 O ATOM 1023 NE2 GLN A 219 6.195 -10.683 -0.557 1.00 0.00 N ATOM 0 H GLN A 219 8.012 -8.184 1.157 1.00 0.00 H new ATOM 0 HA GLN A 219 7.704 -8.578 -1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 219 6.402 -6.532 0.121 1.00 0.00 H new ATOM 0 HB3 GLN A 219 5.854 -7.030 -1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 219 5.908 -8.746 1.039 1.00 0.00 H new ATOM 0 HG3 GLN A 219 4.486 -8.055 0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 219 6.891 -10.590 0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 219 6.153 -11.537 -1.114 1.00 0.00 H new ATOM 1032 N ASN A 220 8.459 -6.310 -2.631 1.00 0.00 N ATOM 1033 CA ASN A 220 9.210 -5.195 -3.197 1.00 0.00 C ATOM 1034 C ASN A 220 8.441 -3.887 -3.042 1.00 0.00 C ATOM 1035 O ASN A 220 7.436 -3.646 -3.712 1.00 0.00 O ATOM 1036 CB ASN A 220 9.509 -5.452 -4.675 1.00 0.00 C ATOM 1037 CG ASN A 220 9.828 -6.908 -4.956 1.00 0.00 C ATOM 1038 OD1 ASN A 220 10.304 -7.616 -3.938 1.00 0.00 O flip ATOM 1039 ND2 ASN A 220 9.648 -7.390 -6.074 1.00 0.00 N flip ATOM 0 H ASN A 220 7.833 -6.774 -3.289 1.00 0.00 H new ATOM 0 HA ASN A 220 10.151 -5.110 -2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 220 8.651 -5.149 -5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 220 10.350 -4.832 -4.986 1.00 0.00 H new ATOM 0 HD21 ASN A 220 9.280 -6.808 -6.827 1.00 0.00 H new ATOM 0 HD22 ASN A 220 9.867 -8.371 -6.248 1.00 0.00 H new ATOM 1046 N PRO A 221 8.922 -3.020 -2.139 1.00 0.00 N ATOM 1047 CA PRO A 221 8.296 -1.721 -1.875 1.00 0.00 C ATOM 1048 C PRO A 221 8.463 -0.751 -3.040 1.00 0.00 C ATOM 1049 O PRO A 221 7.494 -0.149 -3.504 1.00 0.00 O ATOM 1050 CB PRO A 221 9.045 -1.210 -0.642 1.00 0.00 C ATOM 1051 CG PRO A 221 10.368 -1.892 -0.692 1.00 0.00 C ATOM 1052 CD PRO A 221 10.116 -3.242 -1.305 1.00 0.00 C ATOM 0 HA PRO A 221 7.219 -1.809 -1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 221 9.157 -0.126 -0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 221 8.509 -1.453 0.276 1.00 0.00 H new ATOM 0 HG2 PRO A 221 11.080 -1.320 -1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 221 10.794 -1.990 0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 221 10.965 -3.578 -1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 221 9.939 -4.002 -0.544 1.00 0.00 H new ATOM 1060 N THR A 222 9.698 -0.603 -3.509 1.00 0.00 N ATOM 1061 CA THR A 222 9.992 0.295 -4.618 1.00 0.00 C ATOM 1062 C THR A 222 9.146 -0.046 -5.840 1.00 0.00 C ATOM 1063 O THR A 222 8.388 0.789 -6.333 1.00 0.00 O ATOM 1064 CB THR A 222 11.481 0.238 -5.008 1.00 0.00 C ATOM 1065 OG1 THR A 222 11.762 -0.987 -5.694 1.00 0.00 O ATOM 1066 CG2 THR A 222 12.367 0.350 -3.776 1.00 0.00 C ATOM 0 H THR A 222 10.511 -1.094 -3.137 1.00 0.00 H new ATOM 0 HA THR A 222 9.750 1.303 -4.281 1.00 0.00 H new ATOM 0 HB THR A 222 11.694 1.079 -5.667 1.00 0.00 H new ATOM 0 HG1 THR A 222 12.710 -1.014 -5.940 1.00 0.00 H new ATOM 0 HG21 THR A 222 13.414 0.307 -4.076 1.00 0.00 H new ATOM 0 HG22 THR A 222 12.172 1.297 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 222 12.150 -0.474 -3.096 1.00 0.00 H new ATOM 1074 N GLU A 223 9.280 -1.277 -6.322 1.00 0.00 N ATOM 1075 CA GLU A 223 8.527 -1.727 -7.487 1.00 0.00 C ATOM 1076 C GLU A 223 7.108 -1.164 -7.468 1.00 0.00 C ATOM 1077 O GLU A 223 6.640 -0.600 -8.457 1.00 0.00 O ATOM 1078 CB GLU A 223 8.480 -3.255 -7.533 1.00 0.00 C ATOM 1079 CG GLU A 223 9.768 -3.889 -8.031 1.00 0.00 C ATOM 1080 CD GLU A 223 10.120 -3.463 -9.443 1.00 0.00 C ATOM 1081 OE1 GLU A 223 9.538 -4.024 -10.395 1.00 0.00 O ATOM 1082 OE2 GLU A 223 10.977 -2.568 -9.596 1.00 0.00 O ATOM 0 H GLU A 223 9.902 -1.980 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 223 9.034 -1.360 -8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 223 8.261 -3.634 -6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 223 7.659 -3.566 -8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 223 10.584 -3.620 -7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 223 9.671 -4.974 -7.996 1.00 0.00 H new ATOM 1089 N ALA A 224 6.430 -1.322 -6.336 1.00 0.00 N ATOM 1090 CA ALA A 224 5.067 -0.829 -6.187 1.00 0.00 C ATOM 1091 C ALA A 224 5.013 0.688 -6.333 1.00 0.00 C ATOM 1092 O ALA A 224 4.094 1.229 -6.949 1.00 0.00 O ATOM 1093 CB ALA A 224 4.497 -1.252 -4.841 1.00 0.00 C ATOM 0 H ALA A 224 6.803 -1.788 -5.509 1.00 0.00 H new ATOM 0 HA ALA A 224 4.460 -1.266 -6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.478 -0.877 -4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 224 4.491 -2.340 -4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 224 5.113 -0.843 -4.040 1.00 0.00 H new ATOM 1099 N ILE A 225 6.001 1.369 -5.763 1.00 0.00 N ATOM 1100 CA ILE A 225 6.065 2.823 -5.831 1.00 0.00 C ATOM 1101 C ILE A 225 6.281 3.298 -7.264 1.00 0.00 C ATOM 1102 O ILE A 225 5.533 4.134 -7.770 1.00 0.00 O ATOM 1103 CB ILE A 225 7.194 3.379 -4.942 1.00 0.00 C ATOM 1104 CG1 ILE A 225 6.806 3.279 -3.465 1.00 0.00 C ATOM 1105 CG2 ILE A 225 7.502 4.821 -5.318 1.00 0.00 C ATOM 1106 CD1 ILE A 225 7.957 3.538 -2.519 1.00 0.00 C ATOM 0 H ILE A 225 6.768 0.937 -5.249 1.00 0.00 H new ATOM 0 HA ILE A 225 5.108 3.198 -5.467 1.00 0.00 H new ATOM 0 HB ILE A 225 8.092 2.782 -5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 225 6.009 3.993 -3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 225 6.403 2.285 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 225 8.301 5.200 -4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 225 7.816 4.866 -6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 225 6.609 5.431 -5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 225 7.609 3.450 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 225 8.747 2.808 -2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 225 8.346 4.542 -2.686 1.00 0.00 H new ATOM 1118 N GLU A 226 7.308 2.757 -7.912 1.00 0.00 N ATOM 1119 CA GLU A 226 7.621 3.125 -9.288 1.00 0.00 C ATOM 1120 C GLU A 226 6.394 2.979 -10.183 1.00 0.00 C ATOM 1121 O GLU A 226 6.159 3.798 -11.070 1.00 0.00 O ATOM 1122 CB GLU A 226 8.763 2.259 -9.823 1.00 0.00 C ATOM 1123 CG GLU A 226 10.074 2.453 -9.081 1.00 0.00 C ATOM 1124 CD GLU A 226 11.270 1.953 -9.868 1.00 0.00 C ATOM 1125 OE1 GLU A 226 11.287 2.140 -11.103 1.00 0.00 O ATOM 1126 OE2 GLU A 226 12.188 1.374 -9.250 1.00 0.00 O ATOM 0 H GLU A 226 7.937 2.063 -7.507 1.00 0.00 H new ATOM 0 HA GLU A 226 7.932 4.170 -9.296 1.00 0.00 H new ATOM 0 HB2 GLU A 226 8.472 1.210 -9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 226 8.916 2.486 -10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 226 10.208 3.512 -8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 226 10.028 1.929 -8.126 1.00 0.00 H new ATOM 1133 N ALA A 227 5.616 1.928 -9.943 1.00 0.00 N ATOM 1134 CA ALA A 227 4.413 1.675 -10.726 1.00 0.00 C ATOM 1135 C ALA A 227 3.305 2.658 -10.364 1.00 0.00 C ATOM 1136 O ALA A 227 2.854 3.436 -11.205 1.00 0.00 O ATOM 1137 CB ALA A 227 3.939 0.244 -10.517 1.00 0.00 C ATOM 0 H ALA A 227 5.797 1.239 -9.213 1.00 0.00 H new ATOM 0 HA ALA A 227 4.659 1.816 -11.779 1.00 0.00 H new ATOM 0 HB1 ALA A 227 3.040 0.069 -11.108 1.00 0.00 H new ATOM 0 HB2 ALA A 227 4.720 -0.448 -10.832 1.00 0.00 H new ATOM 0 HB3 ALA A 227 3.717 0.085 -9.462 1.00 0.00 H new ATOM 1143 N TRP A 228 2.871 2.618 -9.110 1.00 0.00 N ATOM 1144 CA TRP A 228 1.815 3.506 -8.638 1.00 0.00 C ATOM 1145 C TRP A 228 2.115 4.954 -9.009 1.00 0.00 C ATOM 1146 O TRP A 228 1.204 5.772 -9.140 1.00 0.00 O ATOM 1147 CB TRP A 228 1.652 3.378 -7.122 1.00 0.00 C ATOM 1148 CG TRP A 228 0.512 4.184 -6.577 1.00 0.00 C ATOM 1149 CD1 TRP A 228 -0.702 3.712 -6.165 1.00 0.00 C ATOM 1150 CD2 TRP A 228 0.479 5.603 -6.387 1.00 0.00 C ATOM 1151 NE1 TRP A 228 -1.487 4.753 -5.730 1.00 0.00 N ATOM 1152 CE2 TRP A 228 -0.786 5.922 -5.855 1.00 0.00 C ATOM 1153 CE3 TRP A 228 1.395 6.634 -6.613 1.00 0.00 C ATOM 1154 CZ2 TRP A 228 -1.155 7.229 -5.548 1.00 0.00 C ATOM 1155 CZ3 TRP A 228 1.027 7.930 -6.307 1.00 0.00 C ATOM 1156 CH2 TRP A 228 -0.238 8.219 -5.779 1.00 0.00 C ATOM 0 H TRP A 228 3.234 1.980 -8.401 1.00 0.00 H new ATOM 0 HA TRP A 228 0.884 3.212 -9.122 1.00 0.00 H new ATOM 0 HB2 TRP A 228 1.500 2.329 -6.867 1.00 0.00 H new ATOM 0 HB3 TRP A 228 2.575 3.694 -6.637 1.00 0.00 H new ATOM 0 HD1 TRP A 228 -1.001 2.674 -6.179 1.00 0.00 H new ATOM 0 HE1 TRP A 228 -2.438 4.668 -5.372 1.00 0.00 H new ATOM 0 HE3 TRP A 228 2.373 6.421 -7.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 228 -2.130 7.454 -5.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 228 1.727 8.735 -6.478 1.00 0.00 H new ATOM 0 HH2 TRP A 228 -0.495 9.243 -5.550 1.00 0.00 H new ATOM 1167 N ILE A 229 3.396 5.264 -9.177 1.00 0.00 N ATOM 1168 CA ILE A 229 3.814 6.614 -9.535 1.00 0.00 C ATOM 1169 C ILE A 229 3.858 6.793 -11.048 1.00 0.00 C ATOM 1170 O ILE A 229 3.182 7.659 -11.601 1.00 0.00 O ATOM 1171 CB ILE A 229 5.199 6.947 -8.949 1.00 0.00 C ATOM 1172 CG1 ILE A 229 5.074 7.327 -7.472 1.00 0.00 C ATOM 1173 CG2 ILE A 229 5.850 8.074 -9.738 1.00 0.00 C ATOM 1174 CD1 ILE A 229 4.618 8.752 -7.251 1.00 0.00 C ATOM 0 H ILE A 229 4.162 4.599 -9.071 1.00 0.00 H new ATOM 0 HA ILE A 229 3.076 7.296 -9.113 1.00 0.00 H new ATOM 0 HB ILE A 229 5.832 6.063 -9.025 1.00 0.00 H new ATOM 0 HG12 ILE A 229 4.369 6.650 -6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 229 6.039 7.183 -6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 229 6.828 8.298 -9.312 1.00 0.00 H new ATOM 0 HG22 ILE A 229 5.968 7.769 -10.778 1.00 0.00 H new ATOM 0 HG23 ILE A 229 5.221 8.963 -9.690 1.00 0.00 H new ATOM 0 HD11 ILE A 229 4.552 8.951 -6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 229 5.334 9.438 -7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 229 3.639 8.896 -7.708 1.00 0.00 H new ATOM 1186 N ASN A 230 4.658 5.966 -11.714 1.00 0.00 N ATOM 1187 CA ASN A 230 4.790 6.032 -13.165 1.00 0.00 C ATOM 1188 C ASN A 230 3.435 6.277 -13.823 1.00 0.00 C ATOM 1189 O ASN A 230 3.339 6.989 -14.823 1.00 0.00 O ATOM 1190 CB ASN A 230 5.403 4.737 -13.701 1.00 0.00 C ATOM 1191 CG ASN A 230 5.751 4.829 -15.175 1.00 0.00 C ATOM 1192 OD1 ASN A 230 4.869 4.814 -16.034 1.00 0.00 O ATOM 1193 ND2 ASN A 230 7.041 4.924 -15.473 1.00 0.00 N ATOM 0 H ASN A 230 5.225 5.242 -11.272 1.00 0.00 H new ATOM 0 HA ASN A 230 5.449 6.866 -13.408 1.00 0.00 H new ATOM 0 HB2 ASN A 230 6.302 4.501 -13.132 1.00 0.00 H new ATOM 0 HB3 ASN A 230 4.703 3.916 -13.546 1.00 0.00 H new ATOM 0 HD21 ASN A 230 7.336 4.988 -16.447 1.00 0.00 H new ATOM 0 HD22 ASN A 230 7.737 4.933 -14.728 1.00 0.00 H new ATOM 1200 N PHE A 231 2.391 5.683 -13.255 1.00 0.00 N ATOM 1201 CA PHE A 231 1.042 5.837 -13.786 1.00 0.00 C ATOM 1202 C PHE A 231 0.805 7.266 -14.265 1.00 0.00 C ATOM 1203 O PHE A 231 0.465 7.495 -15.424 1.00 0.00 O ATOM 1204 CB PHE A 231 0.007 5.465 -12.722 1.00 0.00 C ATOM 1205 CG PHE A 231 -1.381 5.293 -13.270 1.00 0.00 C ATOM 1206 CD1 PHE A 231 -2.056 6.365 -13.832 1.00 0.00 C ATOM 1207 CD2 PHE A 231 -2.011 4.060 -13.223 1.00 0.00 C ATOM 1208 CE1 PHE A 231 -3.333 6.210 -14.338 1.00 0.00 C ATOM 1209 CE2 PHE A 231 -3.288 3.899 -13.728 1.00 0.00 C ATOM 1210 CZ PHE A 231 -3.950 4.975 -14.285 1.00 0.00 C ATOM 0 H PHE A 231 2.453 5.091 -12.427 1.00 0.00 H new ATOM 0 HA PHE A 231 0.935 5.165 -14.638 1.00 0.00 H new ATOM 0 HB2 PHE A 231 0.314 4.539 -12.236 1.00 0.00 H new ATOM 0 HB3 PHE A 231 -0.007 6.239 -11.954 1.00 0.00 H new ATOM 0 HD1 PHE A 231 -1.579 7.333 -13.875 1.00 0.00 H new ATOM 0 HD2 PHE A 231 -1.499 3.215 -12.787 1.00 0.00 H new ATOM 0 HE1 PHE A 231 -3.848 7.053 -14.774 1.00 0.00 H new ATOM 0 HE2 PHE A 231 -3.767 2.932 -13.687 1.00 0.00 H new ATOM 0 HZ PHE A 231 -4.948 4.851 -14.678 1.00 0.00 H new ATOM 1220 N ASN A 232 0.987 8.224 -13.362 1.00 0.00 N ATOM 1221 CA ASN A 232 0.792 9.631 -13.690 1.00 0.00 C ATOM 1222 C ASN A 232 2.006 10.459 -13.279 1.00 0.00 C ATOM 1223 O ASN A 232 1.870 11.581 -12.790 1.00 0.00 O ATOM 1224 CB ASN A 232 -0.463 10.169 -13.000 1.00 0.00 C ATOM 1225 CG ASN A 232 -1.128 11.278 -13.792 1.00 0.00 C ATOM 1226 OD1 ASN A 232 -2.221 11.103 -14.331 1.00 0.00 O ATOM 1227 ND2 ASN A 232 -0.468 12.429 -13.866 1.00 0.00 N ATOM 0 H ASN A 232 1.269 8.051 -12.397 1.00 0.00 H new ATOM 0 HA ASN A 232 0.667 9.712 -14.770 1.00 0.00 H new ATOM 0 HB2 ASN A 232 -1.172 9.354 -12.855 1.00 0.00 H new ATOM 0 HB3 ASN A 232 -0.199 10.541 -12.010 1.00 0.00 H new ATOM 0 HD21 ASN A 232 -0.865 13.212 -14.385 1.00 0.00 H new ATOM 0 HD22 ASN A 232 0.436 12.529 -13.403 1.00 0.00 H new ATOM 1234 N LYS A 233 3.194 9.899 -13.481 1.00 0.00 N ATOM 1235 CA LYS A 233 4.433 10.584 -13.134 1.00 0.00 C ATOM 1236 C LYS A 233 4.332 12.076 -13.433 1.00 0.00 C ATOM 1237 O LYS A 233 4.991 12.893 -12.791 1.00 0.00 O ATOM 1238 CB LYS A 233 5.608 9.977 -13.903 1.00 0.00 C ATOM 1239 CG LYS A 233 6.966 10.433 -13.398 1.00 0.00 C ATOM 1240 CD LYS A 233 7.500 9.507 -12.318 1.00 0.00 C ATOM 1241 CE LYS A 233 8.086 8.236 -12.913 1.00 0.00 C ATOM 1242 NZ LYS A 233 9.480 8.440 -13.395 1.00 0.00 N ATOM 0 H LYS A 233 3.325 8.971 -13.884 1.00 0.00 H new ATOM 0 HA LYS A 233 4.602 10.457 -12.065 1.00 0.00 H new ATOM 0 HB2 LYS A 233 5.552 8.890 -13.838 1.00 0.00 H new ATOM 0 HB3 LYS A 233 5.515 10.238 -14.957 1.00 0.00 H new ATOM 0 HG2 LYS A 233 7.671 10.469 -14.229 1.00 0.00 H new ATOM 0 HG3 LYS A 233 6.887 11.446 -13.003 1.00 0.00 H new ATOM 0 HD2 LYS A 233 8.264 10.025 -11.739 1.00 0.00 H new ATOM 0 HD3 LYS A 233 6.697 9.250 -11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 233 8.073 7.445 -12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 233 7.461 7.901 -13.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 9.843 7.551 -13.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 9.489 9.177 -14.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 10.082 8.735 -12.600 1.00 0.00 H new ATOM 1256 N GLU A 234 3.502 12.424 -14.412 1.00 0.00 N ATOM 1257 CA GLU A 234 3.315 13.819 -14.795 1.00 0.00 C ATOM 1258 C GLU A 234 3.412 14.734 -13.578 1.00 0.00 C ATOM 1259 O GLU A 234 4.315 15.565 -13.484 1.00 0.00 O ATOM 1260 CB GLU A 234 1.960 14.005 -15.481 1.00 0.00 C ATOM 1261 CG GLU A 234 1.685 12.984 -16.572 1.00 0.00 C ATOM 1262 CD GLU A 234 0.741 13.509 -17.637 1.00 0.00 C ATOM 1263 OE1 GLU A 234 1.218 14.185 -18.571 1.00 0.00 O ATOM 1264 OE2 GLU A 234 -0.475 13.242 -17.534 1.00 0.00 O ATOM 0 H GLU A 234 2.949 11.760 -14.954 1.00 0.00 H new ATOM 0 HA GLU A 234 4.107 14.087 -15.494 1.00 0.00 H new ATOM 0 HB2 GLU A 234 1.171 13.944 -14.731 1.00 0.00 H new ATOM 0 HB3 GLU A 234 1.914 15.005 -15.911 1.00 0.00 H new ATOM 0 HG2 GLU A 234 2.626 12.693 -17.038 1.00 0.00 H new ATOM 0 HG3 GLU A 234 1.259 12.086 -16.125 1.00 0.00 H new ATOM 1271 N GLU A 235 2.474 14.576 -12.649 1.00 0.00 N ATOM 1272 CA GLU A 235 2.453 15.389 -11.439 1.00 0.00 C ATOM 1273 C GLU A 235 2.701 14.531 -10.202 1.00 0.00 C ATOM 1274 O GLU A 235 3.147 15.028 -9.168 1.00 0.00 O ATOM 1275 CB GLU A 235 1.111 16.114 -11.309 1.00 0.00 C ATOM 1276 CG GLU A 235 1.182 17.378 -10.467 1.00 0.00 C ATOM 1277 CD GLU A 235 1.132 17.091 -8.979 1.00 0.00 C ATOM 1278 OE1 GLU A 235 0.068 16.654 -8.494 1.00 0.00 O ATOM 1279 OE2 GLU A 235 2.158 17.304 -8.300 1.00 0.00 O ATOM 0 H GLU A 235 1.719 13.893 -12.711 1.00 0.00 H new ATOM 0 HA GLU A 235 3.252 16.127 -11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 235 0.748 16.370 -12.304 1.00 0.00 H new ATOM 0 HB3 GLU A 235 0.381 15.434 -10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 235 2.103 17.914 -10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 235 0.355 18.035 -10.735 1.00 0.00 H new ATOM 1286 N ARG A 236 2.409 13.240 -10.317 1.00 0.00 N ATOM 1287 CA ARG A 236 2.599 12.312 -9.208 1.00 0.00 C ATOM 1288 C ARG A 236 4.079 12.178 -8.858 1.00 0.00 C ATOM 1289 O ARG A 236 4.438 11.519 -7.883 1.00 0.00 O ATOM 1290 CB ARG A 236 2.021 10.940 -9.558 1.00 0.00 C ATOM 1291 CG ARG A 236 0.521 10.837 -9.339 1.00 0.00 C ATOM 1292 CD ARG A 236 0.073 9.389 -9.221 1.00 0.00 C ATOM 1293 NE ARG A 236 -1.225 9.269 -8.562 1.00 0.00 N ATOM 1294 CZ ARG A 236 -2.386 9.381 -9.198 1.00 0.00 C ATOM 1295 NH1 ARG A 236 -2.410 9.614 -10.503 1.00 0.00 N ATOM 1296 NH2 ARG A 236 -3.525 9.260 -8.529 1.00 0.00 N ATOM 0 H ARG A 236 2.040 12.813 -11.166 1.00 0.00 H new ATOM 0 HA ARG A 236 2.073 12.710 -8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 236 2.243 10.717 -10.602 1.00 0.00 H new ATOM 0 HB3 ARG A 236 2.520 10.181 -8.956 1.00 0.00 H new ATOM 0 HG2 ARG A 236 0.246 11.379 -8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 236 -0.002 11.314 -10.167 1.00 0.00 H new ATOM 0 HD2 ARG A 236 0.017 8.945 -10.215 1.00 0.00 H new ATOM 0 HD3 ARG A 236 0.818 8.824 -8.660 1.00 0.00 H new ATOM 0 HE ARG A 236 -1.241 9.089 -7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 236 -1.536 9.708 -11.021 1.00 0.00 H new ATOM 0 HH12 ARG A 236 -3.302 9.700 -10.989 1.00 0.00 H new ATOM 0 HH21 ARG A 236 -3.510 9.081 -7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 236 -4.416 9.346 -9.019 1.00 0.00 H new ATOM 1310 N GLU A 237 4.931 12.808 -9.662 1.00 0.00 N ATOM 1311 CA GLU A 237 6.371 12.757 -9.437 1.00 0.00 C ATOM 1312 C GLU A 237 6.713 13.167 -8.008 1.00 0.00 C ATOM 1313 O GLU A 237 7.435 12.461 -7.305 1.00 0.00 O ATOM 1314 CB GLU A 237 7.096 13.669 -10.428 1.00 0.00 C ATOM 1315 CG GLU A 237 8.407 14.225 -9.897 1.00 0.00 C ATOM 1316 CD GLU A 237 9.358 14.634 -11.005 1.00 0.00 C ATOM 1317 OE1 GLU A 237 10.123 13.768 -11.479 1.00 0.00 O ATOM 1318 OE2 GLU A 237 9.339 15.819 -11.397 1.00 0.00 O ATOM 0 H GLU A 237 4.649 13.358 -10.473 1.00 0.00 H new ATOM 0 HA GLU A 237 6.701 11.730 -9.591 1.00 0.00 H new ATOM 0 HB2 GLU A 237 7.292 13.113 -11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 237 6.440 14.498 -10.693 1.00 0.00 H new ATOM 0 HG2 GLU A 237 8.201 15.087 -9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 237 8.888 13.475 -9.269 1.00 0.00 H new ATOM 1325 N ALA A 238 6.189 14.313 -7.585 1.00 0.00 N ATOM 1326 CA ALA A 238 6.438 14.816 -6.240 1.00 0.00 C ATOM 1327 C ALA A 238 6.261 13.715 -5.200 1.00 0.00 C ATOM 1328 O ALA A 238 7.093 13.551 -4.308 1.00 0.00 O ATOM 1329 CB ALA A 238 5.513 15.986 -5.935 1.00 0.00 C ATOM 0 H ALA A 238 5.590 14.910 -8.155 1.00 0.00 H new ATOM 0 HA ALA A 238 7.471 15.161 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 238 5.710 16.352 -4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 238 5.690 16.787 -6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 238 4.476 15.658 -6.006 1.00 0.00 H new ATOM 1335 N PHE A 239 5.172 12.963 -5.321 1.00 0.00 N ATOM 1336 CA PHE A 239 4.885 11.878 -4.390 1.00 0.00 C ATOM 1337 C PHE A 239 5.942 10.781 -4.491 1.00 0.00 C ATOM 1338 O PHE A 239 6.222 10.083 -3.517 1.00 0.00 O ATOM 1339 CB PHE A 239 3.499 11.293 -4.667 1.00 0.00 C ATOM 1340 CG PHE A 239 2.374 12.228 -4.324 1.00 0.00 C ATOM 1341 CD1 PHE A 239 2.300 12.813 -3.071 1.00 0.00 C ATOM 1342 CD2 PHE A 239 1.392 12.521 -5.256 1.00 0.00 C ATOM 1343 CE1 PHE A 239 1.266 13.673 -2.753 1.00 0.00 C ATOM 1344 CE2 PHE A 239 0.355 13.381 -4.944 1.00 0.00 C ATOM 1345 CZ PHE A 239 0.293 13.958 -3.691 1.00 0.00 C ATOM 0 H PHE A 239 4.474 13.085 -6.055 1.00 0.00 H new ATOM 0 HA PHE A 239 4.904 12.285 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 239 3.430 11.026 -5.722 1.00 0.00 H new ATOM 0 HB3 PHE A 239 3.382 10.372 -4.097 1.00 0.00 H new ATOM 0 HD1 PHE A 239 3.059 12.595 -2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 239 1.437 12.073 -6.238 1.00 0.00 H new ATOM 0 HE1 PHE A 239 1.219 14.122 -1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 239 -0.405 13.601 -5.679 1.00 0.00 H new ATOM 0 HZ PHE A 239 -0.515 14.631 -3.445 1.00 0.00 H new ATOM 1355 N ALA A 240 6.525 10.637 -5.676 1.00 0.00 N ATOM 1356 CA ALA A 240 7.551 9.627 -5.905 1.00 0.00 C ATOM 1357 C ALA A 240 8.797 9.913 -5.074 1.00 0.00 C ATOM 1358 O ALA A 240 9.245 9.068 -4.299 1.00 0.00 O ATOM 1359 CB ALA A 240 7.904 9.560 -7.383 1.00 0.00 C ATOM 0 H ALA A 240 6.304 11.207 -6.493 1.00 0.00 H new ATOM 0 HA ALA A 240 7.152 8.662 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 240 8.671 8.802 -7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 240 7.015 9.301 -7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 240 8.279 10.529 -7.712 1.00 0.00 H new ATOM 1365 N GLU A 241 9.353 11.109 -5.241 1.00 0.00 N ATOM 1366 CA GLU A 241 10.549 11.505 -4.506 1.00 0.00 C ATOM 1367 C GLU A 241 10.315 11.421 -3.001 1.00 0.00 C ATOM 1368 O GLU A 241 11.156 10.913 -2.259 1.00 0.00 O ATOM 1369 CB GLU A 241 10.964 12.926 -4.891 1.00 0.00 C ATOM 1370 CG GLU A 241 9.833 13.937 -4.797 1.00 0.00 C ATOM 1371 CD GLU A 241 10.238 15.313 -5.289 1.00 0.00 C ATOM 1372 OE1 GLU A 241 10.132 15.563 -6.508 1.00 0.00 O ATOM 1373 OE2 GLU A 241 10.660 16.140 -4.454 1.00 0.00 O ATOM 0 H GLU A 241 8.995 11.820 -5.878 1.00 0.00 H new ATOM 0 HA GLU A 241 11.352 10.816 -4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 241 11.780 13.245 -4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 241 11.350 12.919 -5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 241 8.984 13.582 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 241 9.500 14.009 -3.762 1.00 0.00 H new ATOM 1380 N SER A 242 9.167 11.923 -2.557 1.00 0.00 N ATOM 1381 CA SER A 242 8.824 11.909 -1.140 1.00 0.00 C ATOM 1382 C SER A 242 8.567 10.484 -0.657 1.00 0.00 C ATOM 1383 O SER A 242 8.975 10.106 0.442 1.00 0.00 O ATOM 1384 CB SER A 242 7.590 12.776 -0.884 1.00 0.00 C ATOM 1385 OG SER A 242 7.273 12.819 0.496 1.00 0.00 O ATOM 0 H SER A 242 8.459 12.344 -3.158 1.00 0.00 H new ATOM 0 HA SER A 242 9.668 12.316 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A 242 7.770 13.787 -1.250 1.00 0.00 H new ATOM 0 HB3 SER A 242 6.742 12.380 -1.443 1.00 0.00 H new ATOM 0 HG SER A 242 6.482 13.381 0.633 1.00 0.00 H new ATOM 1391 N LEU A 243 7.889 9.699 -1.486 1.00 0.00 N ATOM 1392 CA LEU A 243 7.577 8.315 -1.145 1.00 0.00 C ATOM 1393 C LEU A 243 8.849 7.479 -1.046 1.00 0.00 C ATOM 1394 O LEU A 243 8.921 6.532 -0.262 1.00 0.00 O ATOM 1395 CB LEU A 243 6.636 7.712 -2.189 1.00 0.00 C ATOM 1396 CG LEU A 243 5.157 8.072 -2.048 1.00 0.00 C ATOM 1397 CD1 LEU A 243 4.397 7.712 -3.315 1.00 0.00 C ATOM 1398 CD2 LEU A 243 4.550 7.371 -0.842 1.00 0.00 C ATOM 0 H LEU A 243 7.545 9.996 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 243 7.083 8.308 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 243 6.973 8.026 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 243 6.730 6.627 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 243 5.078 9.148 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 243 3.346 7.975 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 243 4.815 8.261 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 243 4.484 6.641 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 243 3.497 7.639 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 243 4.641 6.292 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 243 5.077 7.679 0.061 1.00 0.00 H new ATOM 1410 N ARG A 244 9.850 7.836 -1.844 1.00 0.00 N ATOM 1411 CA ARG A 244 11.119 7.119 -1.845 1.00 0.00 C ATOM 1412 C ARG A 244 11.896 7.388 -0.560 1.00 0.00 C ATOM 1413 O ARG A 244 12.369 6.460 0.099 1.00 0.00 O ATOM 1414 CB ARG A 244 11.959 7.528 -3.056 1.00 0.00 C ATOM 1415 CG ARG A 244 11.604 6.773 -4.327 1.00 0.00 C ATOM 1416 CD ARG A 244 12.534 7.142 -5.472 1.00 0.00 C ATOM 1417 NE ARG A 244 13.925 6.813 -5.176 1.00 0.00 N ATOM 1418 CZ ARG A 244 14.743 7.614 -4.503 1.00 0.00 C ATOM 1419 NH1 ARG A 244 14.311 8.787 -4.059 1.00 0.00 N ATOM 1420 NH2 ARG A 244 15.996 7.244 -4.273 1.00 0.00 N ATOM 0 H ARG A 244 9.807 8.617 -2.498 1.00 0.00 H new ATOM 0 HA ARG A 244 10.905 6.052 -1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 244 11.833 8.596 -3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 244 13.012 7.365 -2.829 1.00 0.00 H new ATOM 0 HG2 ARG A 244 11.661 5.700 -4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 244 10.574 6.994 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 244 12.222 6.618 -6.375 1.00 0.00 H new ATOM 0 HD3 ARG A 244 12.450 8.209 -5.678 1.00 0.00 H new ATOM 0 HE ARG A 244 14.289 5.918 -5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 244 13.348 9.076 -4.234 1.00 0.00 H new ATOM 0 HH12 ARG A 244 14.941 9.400 -3.542 1.00 0.00 H new ATOM 0 HH21 ARG A 244 16.332 6.343 -4.613 1.00 0.00 H new ATOM 0 HH22 ARG A 244 16.623 7.860 -3.756 1.00 0.00 H new ATOM 1434 N THR A 245 12.026 8.663 -0.207 1.00 0.00 N ATOM 1435 CA THR A 245 12.746 9.054 0.997 1.00 0.00 C ATOM 1436 C THR A 245 12.039 8.548 2.250 1.00 0.00 C ATOM 1437 O THR A 245 12.683 8.135 3.214 1.00 0.00 O ATOM 1438 CB THR A 245 12.898 10.584 1.090 1.00 0.00 C ATOM 1439 OG1 THR A 245 13.537 10.940 2.321 1.00 0.00 O ATOM 1440 CG2 THR A 245 11.542 11.269 1.000 1.00 0.00 C ATOM 0 H THR A 245 11.641 9.443 -0.739 1.00 0.00 H new ATOM 0 HA THR A 245 13.736 8.601 0.933 1.00 0.00 H new ATOM 0 HB THR A 245 13.512 10.917 0.253 1.00 0.00 H new ATOM 0 HG1 THR A 245 13.631 11.914 2.371 1.00 0.00 H new ATOM 0 HG21 THR A 245 11.675 12.349 1.068 1.00 0.00 H new ATOM 0 HG22 THR A 245 11.071 11.020 0.049 1.00 0.00 H new ATOM 0 HG23 THR A 245 10.908 10.929 1.819 1.00 0.00 H new ATOM 1448 N SER A 246 10.711 8.584 2.228 1.00 0.00 N ATOM 1449 CA SER A 246 9.916 8.131 3.364 1.00 0.00 C ATOM 1450 C SER A 246 9.907 6.608 3.449 1.00 0.00 C ATOM 1451 O SER A 246 9.875 6.035 4.539 1.00 0.00 O ATOM 1452 CB SER A 246 8.483 8.656 3.252 1.00 0.00 C ATOM 1453 OG SER A 246 8.462 10.071 3.182 1.00 0.00 O ATOM 0 H SER A 246 10.163 8.922 1.437 1.00 0.00 H new ATOM 0 HA SER A 246 10.370 8.525 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 246 8.008 8.238 2.365 1.00 0.00 H new ATOM 0 HB3 SER A 246 7.902 8.323 4.112 1.00 0.00 H new ATOM 0 HG SER A 246 8.630 10.355 2.259 1.00 0.00 H new ATOM 1459 N LEU A 247 9.935 5.958 2.291 1.00 0.00 N ATOM 1460 CA LEU A 247 9.930 4.500 2.232 1.00 0.00 C ATOM 1461 C LEU A 247 10.770 3.907 3.359 1.00 0.00 C ATOM 1462 O LEU A 247 11.885 4.358 3.621 1.00 0.00 O ATOM 1463 CB LEU A 247 10.461 4.023 0.879 1.00 0.00 C ATOM 1464 CG LEU A 247 10.539 2.508 0.685 1.00 0.00 C ATOM 1465 CD1 LEU A 247 10.647 2.164 -0.793 1.00 0.00 C ATOM 1466 CD2 LEU A 247 11.716 1.931 1.456 1.00 0.00 C ATOM 0 H LEU A 247 9.961 6.417 1.380 1.00 0.00 H new ATOM 0 HA LEU A 247 8.902 4.159 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 247 9.826 4.437 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 247 11.458 4.439 0.735 1.00 0.00 H new ATOM 0 HG LEU A 247 9.623 2.064 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 247 10.701 1.082 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 247 9.771 2.543 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 247 11.546 2.620 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 247 11.755 0.852 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 247 12.642 2.381 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 247 11.596 2.146 2.518 1.00 0.00 H new ATOM 1478 N LYS A 248 10.227 2.891 4.021 1.00 0.00 N ATOM 1479 CA LYS A 248 10.927 2.232 5.118 1.00 0.00 C ATOM 1480 C LYS A 248 10.819 0.715 4.999 1.00 0.00 C ATOM 1481 O LYS A 248 9.774 0.186 4.621 1.00 0.00 O ATOM 1482 CB LYS A 248 10.357 2.690 6.462 1.00 0.00 C ATOM 1483 CG LYS A 248 11.363 2.638 7.599 1.00 0.00 C ATOM 1484 CD LYS A 248 12.157 3.930 7.701 1.00 0.00 C ATOM 1485 CE LYS A 248 12.694 4.144 9.108 1.00 0.00 C ATOM 1486 NZ LYS A 248 13.629 3.060 9.516 1.00 0.00 N ATOM 0 H LYS A 248 9.305 2.506 3.817 1.00 0.00 H new ATOM 0 HA LYS A 248 11.980 2.509 5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 248 9.987 3.710 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 248 9.501 2.065 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 248 10.842 2.455 8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 248 12.045 1.802 7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 248 12.986 3.906 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 248 11.523 4.771 7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 248 13.207 5.104 9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 248 11.862 4.190 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 14.063 3.302 10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 13.105 2.166 9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 14.372 2.954 8.797 1.00 0.00 H new ATOM 1500 N GLU A 249 11.905 0.021 5.325 1.00 0.00 N ATOM 1501 CA GLU A 249 11.930 -1.435 5.255 1.00 0.00 C ATOM 1502 C GLU A 249 12.036 -2.046 6.650 1.00 0.00 C ATOM 1503 O GLU A 249 12.485 -1.392 7.592 1.00 0.00 O ATOM 1504 CB GLU A 249 13.100 -1.906 4.390 1.00 0.00 C ATOM 1505 CG GLU A 249 12.880 -1.696 2.901 1.00 0.00 C ATOM 1506 CD GLU A 249 13.363 -0.340 2.426 1.00 0.00 C ATOM 1507 OE1 GLU A 249 13.275 0.629 3.208 1.00 0.00 O ATOM 1508 OE2 GLU A 249 13.828 -0.248 1.270 1.00 0.00 O ATOM 0 H GLU A 249 12.778 0.443 5.640 1.00 0.00 H new ATOM 0 HA GLU A 249 10.996 -1.767 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 249 14.002 -1.375 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 249 13.276 -2.965 4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 249 13.400 -2.477 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 249 11.818 -1.799 2.676 1.00 0.00 H new ATOM 1515 N ILE A 250 11.619 -3.301 6.773 1.00 0.00 N ATOM 1516 CA ILE A 250 11.668 -4.000 8.051 1.00 0.00 C ATOM 1517 C ILE A 250 12.128 -5.443 7.872 1.00 0.00 C ATOM 1518 O ILE A 250 11.877 -6.062 6.839 1.00 0.00 O ATOM 1519 CB ILE A 250 10.295 -3.994 8.748 1.00 0.00 C ATOM 1520 CG1 ILE A 250 9.232 -4.608 7.835 1.00 0.00 C ATOM 1521 CG2 ILE A 250 9.907 -2.577 9.143 1.00 0.00 C ATOM 1522 CD1 ILE A 250 7.842 -4.598 8.433 1.00 0.00 C ATOM 0 H ILE A 250 11.243 -3.855 6.003 1.00 0.00 H new ATOM 0 HA ILE A 250 12.386 -3.467 8.675 1.00 0.00 H new ATOM 0 HB ILE A 250 10.362 -4.597 9.653 1.00 0.00 H new ATOM 0 HG12 ILE A 250 9.217 -4.063 6.891 1.00 0.00 H new ATOM 0 HG13 ILE A 250 9.512 -5.636 7.605 1.00 0.00 H new ATOM 0 HG21 ILE A 250 8.934 -2.590 9.634 1.00 0.00 H new ATOM 0 HG22 ILE A 250 10.654 -2.172 9.826 1.00 0.00 H new ATOM 0 HG23 ILE A 250 9.855 -1.952 8.251 1.00 0.00 H new ATOM 0 HD11 ILE A 250 7.141 -5.048 7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 250 7.842 -5.168 9.362 1.00 0.00 H new ATOM 0 HD13 ILE A 250 7.541 -3.570 8.637 1.00 0.00 H new