USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 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 :FLIP no HD1:sc= -1.18 F(o=-1.9!,f=-1.2) USER MOD Single : A 159 GLN : amide:sc= -0.866 K(o=-0.87,f=-4.1!) USER MOD Single : A 162 ASN :FLIP amide:sc= -0.0736 F(o=-0.92,f=-0.074) USER MOD Single : A 163 CYS SG : rot -63:sc= -0.542! USER MOD Single : A 165 GLN : amide:sc= -0.0794 X(o=-0.079,f=-0.4) USER MOD Single : A 167 MET CE :methyl 166:sc= -6.76! (180deg=-7.58!) USER MOD Single : A 173 HIS :FLIP no HE2:sc= -0.122 F(o=-1.1,f=-0.12) USER MOD Single : A 174 SER OG : rot -6:sc= 0.423 USER MOD Single : A 179 TYR OH : rot 180:sc= -2.12! USER MOD Single : A 180 THR OG1 : rot 80:sc= 1.02 USER MOD Single : A 183 LYS NZ :NH3+ -167:sc= 0.136 (180deg=0.0899) USER MOD Single : A 184 HIS :FLIP no HD1:sc= -0.332 F(o=-1.4,f=-0.33) USER MOD Single : A 187 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0367) USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.95) USER MOD Single : A 194 GLN :FLIP amide:sc= -0.233 F(o=-1.1,f=-0.23) USER MOD Single : A 195 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 196 THR OG1 : rot -30:sc= 1.1 USER MOD Single : A 201 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 204 HIS : no HD1:sc= -2.57 X(o=-2.6,f=-2.6) USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 SER OG : rot -54:sc= 1.02 USER MOD Single : A 217 CYS SG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= -1.84 K(o=-1.8,f=-8!) USER MOD Single : A 220 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.056) USER MOD Single : A 222 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 230 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 232 ASN : amide:sc= -2.33! C(o=-2.3!,f=-8.4!) 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 77:sc= 0.173 USER MOD Single : A 246 SER OG : rot 180:sc= 0 USER MOD Single : A 248 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 82 N GLN A 159 -8.634 -10.801 2.978 1.00 0.00 N ATOM 83 CA GLN A 159 -7.666 -11.495 2.136 1.00 0.00 C ATOM 84 C GLN A 159 -6.866 -10.504 1.298 1.00 0.00 C ATOM 85 O GLN A 159 -7.410 -9.523 0.790 1.00 0.00 O ATOM 86 CB GLN A 159 -8.377 -12.496 1.224 1.00 0.00 C ATOM 87 CG GLN A 159 -8.923 -13.709 1.960 1.00 0.00 C ATOM 88 CD GLN A 159 -7.831 -14.659 2.408 1.00 0.00 C ATOM 89 OE1 GLN A 159 -6.893 -14.264 3.101 1.00 0.00 O ATOM 90 NE2 GLN A 159 -7.947 -15.922 2.014 1.00 0.00 N ATOM 0 HA GLN A 159 -6.976 -12.034 2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -9.198 -11.991 0.714 1.00 0.00 H new ATOM 0 HB3 GLN A 159 -7.682 -12.831 0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 159 -9.490 -13.377 2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 159 -9.618 -14.241 1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -8.741 -16.206 1.440 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -7.242 -16.608 2.285 1.00 0.00 H new ATOM 99 N VAL A 160 -5.570 -10.766 1.157 1.00 0.00 N ATOM 100 CA VAL A 160 -4.695 -9.897 0.379 1.00 0.00 C ATOM 101 C VAL A 160 -5.336 -9.520 -0.951 1.00 0.00 C ATOM 102 O VAL A 160 -5.160 -8.406 -1.443 1.00 0.00 O ATOM 103 CB VAL A 160 -3.335 -10.568 0.109 1.00 0.00 C ATOM 104 CG1 VAL A 160 -3.532 -11.981 -0.418 1.00 0.00 C ATOM 105 CG2 VAL A 160 -2.515 -9.736 -0.865 1.00 0.00 C ATOM 0 H VAL A 160 -5.103 -11.573 1.571 1.00 0.00 H new ATOM 0 HA VAL A 160 -4.536 -8.995 0.971 1.00 0.00 H new ATOM 0 HB VAL A 160 -2.787 -10.630 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -2.560 -12.439 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -4.077 -12.571 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -4.100 -11.947 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -1.557 -10.225 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -3.056 -9.640 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -2.343 -8.746 -0.443 1.00 0.00 H new ATOM 115 N GLY A 161 -6.082 -10.456 -1.530 1.00 0.00 N ATOM 116 CA GLY A 161 -6.739 -10.202 -2.798 1.00 0.00 C ATOM 117 C GLY A 161 -7.726 -9.055 -2.721 1.00 0.00 C ATOM 118 O GLY A 161 -7.745 -8.183 -3.588 1.00 0.00 O ATOM 0 H GLY A 161 -6.243 -11.386 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -5.987 -9.980 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -7.259 -11.104 -3.121 1.00 0.00 H new ATOM 122 N ASN A 162 -8.551 -9.056 -1.679 1.00 0.00 N ATOM 123 CA ASN A 162 -9.548 -8.008 -1.492 1.00 0.00 C ATOM 124 C ASN A 162 -9.221 -7.157 -0.269 1.00 0.00 C ATOM 125 O ASN A 162 -10.084 -6.457 0.262 1.00 0.00 O ATOM 126 CB ASN A 162 -10.942 -8.622 -1.342 1.00 0.00 C ATOM 127 CG ASN A 162 -10.944 -9.837 -0.435 1.00 0.00 C ATOM 128 OD1 ASN A 162 -10.656 -9.621 0.844 1.00 0.00 O flip ATOM 129 ND2 ASN A 162 -11.201 -10.957 -0.878 1.00 0.00 N flip ATOM 0 H ASN A 162 -8.549 -9.771 -0.951 1.00 0.00 H new ATOM 0 HA ASN A 162 -9.533 -7.366 -2.373 1.00 0.00 H new ATOM 0 HB2 ASN A 162 -11.625 -7.872 -0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 162 -11.319 -8.905 -2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 162 -11.417 -11.077 -1.868 1.00 0.00 H new ATOM 0 HD22 ASN A 162 -11.198 -11.765 -0.255 1.00 0.00 H new ATOM 136 N CYS A 163 -7.970 -7.222 0.172 1.00 0.00 N ATOM 137 CA CYS A 163 -7.528 -6.458 1.333 1.00 0.00 C ATOM 138 C CYS A 163 -7.602 -4.960 1.058 1.00 0.00 C ATOM 139 O CYS A 163 -8.097 -4.190 1.882 1.00 0.00 O ATOM 140 CB CYS A 163 -6.099 -6.849 1.713 1.00 0.00 C ATOM 141 SG CYS A 163 -4.842 -6.278 0.546 1.00 0.00 S ATOM 0 H CYS A 163 -7.244 -7.796 -0.257 1.00 0.00 H new ATOM 0 HA CYS A 163 -8.194 -6.690 2.164 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -5.873 -6.445 2.700 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -6.040 -7.935 1.792 1.00 0.00 H new ATOM 0 HG CYS A 163 -5.037 -6.839 -0.611 1.00 0.00 H new ATOM 147 N LEU A 164 -7.104 -4.552 -0.104 1.00 0.00 N ATOM 148 CA LEU A 164 -7.112 -3.145 -0.488 1.00 0.00 C ATOM 149 C LEU A 164 -8.529 -2.580 -0.460 1.00 0.00 C ATOM 150 O LEU A 164 -8.778 -1.535 0.139 1.00 0.00 O ATOM 151 CB LEU A 164 -6.510 -2.973 -1.884 1.00 0.00 C ATOM 152 CG LEU A 164 -5.034 -3.343 -2.028 1.00 0.00 C ATOM 153 CD1 LEU A 164 -4.552 -3.075 -3.446 1.00 0.00 C ATOM 154 CD2 LEU A 164 -4.190 -2.573 -1.023 1.00 0.00 C ATOM 0 H LEU A 164 -6.690 -5.176 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 164 -6.507 -2.595 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -7.086 -3.579 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -6.634 -1.933 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 164 -4.925 -4.408 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -3.499 -3.344 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -5.136 -3.671 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -4.675 -2.017 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -3.142 -2.849 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -4.305 -1.503 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -4.518 -2.814 -0.012 1.00 0.00 H new ATOM 166 N GLN A 165 -9.452 -3.281 -1.111 1.00 0.00 N ATOM 167 CA GLN A 165 -10.845 -2.850 -1.158 1.00 0.00 C ATOM 168 C GLN A 165 -11.397 -2.638 0.247 1.00 0.00 C ATOM 169 O GLN A 165 -11.966 -1.589 0.550 1.00 0.00 O ATOM 170 CB GLN A 165 -11.694 -3.881 -1.903 1.00 0.00 C ATOM 171 CG GLN A 165 -13.191 -3.663 -1.748 1.00 0.00 C ATOM 172 CD GLN A 165 -13.979 -4.152 -2.946 1.00 0.00 C ATOM 173 OE1 GLN A 165 -13.620 -3.882 -4.093 1.00 0.00 O ATOM 174 NE2 GLN A 165 -15.061 -4.877 -2.687 1.00 0.00 N ATOM 0 H GLN A 165 -9.261 -4.148 -1.612 1.00 0.00 H new ATOM 0 HA GLN A 165 -10.888 -1.901 -1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -11.439 -3.852 -2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -11.441 -4.878 -1.541 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -13.539 -4.180 -0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -13.386 -2.601 -1.599 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -15.322 -5.077 -1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -15.631 -5.234 -3.454 1.00 0.00 H new ATOM 183 N VAL A 166 -11.226 -3.641 1.103 1.00 0.00 N ATOM 184 CA VAL A 166 -11.707 -3.564 2.477 1.00 0.00 C ATOM 185 C VAL A 166 -11.092 -2.376 3.209 1.00 0.00 C ATOM 186 O VAL A 166 -11.799 -1.465 3.638 1.00 0.00 O ATOM 187 CB VAL A 166 -11.389 -4.854 3.256 1.00 0.00 C ATOM 188 CG1 VAL A 166 -11.812 -4.718 4.711 1.00 0.00 C ATOM 189 CG2 VAL A 166 -12.066 -6.050 2.605 1.00 0.00 C ATOM 0 H VAL A 166 -10.758 -4.516 0.869 1.00 0.00 H new ATOM 0 HA VAL A 166 -12.788 -3.436 2.427 1.00 0.00 H new ATOM 0 HB VAL A 166 -10.312 -5.017 3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -11.579 -5.639 5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -11.276 -3.887 5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -12.884 -4.530 4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -11.830 -6.953 3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -13.145 -5.898 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -11.708 -6.158 1.581 1.00 0.00 H new ATOM 199 N MET A 167 -9.770 -2.393 3.348 1.00 0.00 N ATOM 200 CA MET A 167 -9.060 -1.316 4.026 1.00 0.00 C ATOM 201 C MET A 167 -9.478 0.043 3.476 1.00 0.00 C ATOM 202 O MET A 167 -9.739 0.977 4.234 1.00 0.00 O ATOM 203 CB MET A 167 -7.548 -1.498 3.873 1.00 0.00 C ATOM 204 CG MET A 167 -6.956 -0.712 2.715 1.00 0.00 C ATOM 205 SD MET A 167 -5.187 -0.999 2.513 1.00 0.00 S ATOM 206 CE MET A 167 -4.513 0.394 3.414 1.00 0.00 C ATOM 0 H MET A 167 -9.170 -3.141 3.000 1.00 0.00 H new ATOM 0 HA MET A 167 -9.319 -1.354 5.084 1.00 0.00 H new ATOM 0 HB2 MET A 167 -7.058 -1.192 4.797 1.00 0.00 H new ATOM 0 HB3 MET A 167 -7.330 -2.557 3.732 1.00 0.00 H new ATOM 0 HG2 MET A 167 -7.472 -0.985 1.794 1.00 0.00 H new ATOM 0 HG3 MET A 167 -7.132 0.352 2.876 1.00 0.00 H new ATOM 0 HE1 MET A 167 -3.451 0.231 3.595 1.00 0.00 H new ATOM 0 HE2 MET A 167 -4.646 1.304 2.829 1.00 0.00 H new ATOM 0 HE3 MET A 167 -5.032 0.496 4.367 1.00 0.00 H new ATOM 216 N TRP A 168 -9.541 0.147 2.153 1.00 0.00 N ATOM 217 CA TRP A 168 -9.928 1.393 1.502 1.00 0.00 C ATOM 218 C TRP A 168 -11.198 1.961 2.124 1.00 0.00 C ATOM 219 O TRP A 168 -11.178 3.029 2.737 1.00 0.00 O ATOM 220 CB TRP A 168 -10.136 1.166 0.004 1.00 0.00 C ATOM 221 CG TRP A 168 -10.102 2.431 -0.799 1.00 0.00 C ATOM 222 CD1 TRP A 168 -9.016 2.979 -1.421 1.00 0.00 C ATOM 223 CD2 TRP A 168 -11.203 3.307 -1.065 1.00 0.00 C ATOM 224 NE1 TRP A 168 -9.376 4.142 -2.057 1.00 0.00 N ATOM 225 CE2 TRP A 168 -10.712 4.365 -1.855 1.00 0.00 C ATOM 226 CE3 TRP A 168 -12.556 3.300 -0.715 1.00 0.00 C ATOM 227 CZ2 TRP A 168 -11.527 5.404 -2.297 1.00 0.00 C ATOM 228 CZ3 TRP A 168 -13.363 4.331 -1.154 1.00 0.00 C ATOM 229 CH2 TRP A 168 -12.848 5.371 -1.939 1.00 0.00 C ATOM 0 H TRP A 168 -9.329 -0.616 1.511 1.00 0.00 H new ATOM 0 HA TRP A 168 -9.123 2.114 1.645 1.00 0.00 H new ATOM 0 HB2 TRP A 168 -9.365 0.490 -0.364 1.00 0.00 H new ATOM 0 HB3 TRP A 168 -11.095 0.671 -0.152 1.00 0.00 H new ATOM 0 HD1 TRP A 168 -8.021 2.559 -1.414 1.00 0.00 H new ATOM 0 HE1 TRP A 168 -8.750 4.742 -2.593 1.00 0.00 H new ATOM 0 HE3 TRP A 168 -12.963 2.502 -0.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 168 -11.131 6.207 -2.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 168 -14.410 4.336 -0.888 1.00 0.00 H new ATOM 0 HH2 TRP A 168 -13.506 6.162 -2.268 1.00 0.00 H new ATOM 240 N LEU A 169 -12.303 1.241 1.963 1.00 0.00 N ATOM 241 CA LEU A 169 -13.585 1.674 2.510 1.00 0.00 C ATOM 242 C LEU A 169 -13.460 2.002 3.995 1.00 0.00 C ATOM 243 O LEU A 169 -14.109 2.921 4.494 1.00 0.00 O ATOM 244 CB LEU A 169 -14.642 0.588 2.304 1.00 0.00 C ATOM 245 CG LEU A 169 -15.404 0.636 0.979 1.00 0.00 C ATOM 246 CD1 LEU A 169 -14.571 0.028 -0.138 1.00 0.00 C ATOM 247 CD2 LEU A 169 -16.739 -0.084 1.105 1.00 0.00 C ATOM 0 H LEU A 169 -12.337 0.355 1.458 1.00 0.00 H new ATOM 0 HA LEU A 169 -13.892 2.577 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 169 -14.156 -0.384 2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 169 -15.364 0.653 3.118 1.00 0.00 H new ATOM 0 HG LEU A 169 -15.599 1.679 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 169 -15.129 0.071 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 169 -13.641 0.587 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 169 -14.344 -1.011 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 169 -17.268 -0.040 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 169 -16.566 -1.126 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 169 -17.340 0.397 1.876 1.00 0.00 H new ATOM 259 N ALA A 170 -12.619 1.247 4.694 1.00 0.00 N ATOM 260 CA ALA A 170 -12.406 1.461 6.120 1.00 0.00 C ATOM 261 C ALA A 170 -11.878 2.866 6.391 1.00 0.00 C ATOM 262 O ALA A 170 -12.568 3.695 6.985 1.00 0.00 O ATOM 263 CB ALA A 170 -11.445 0.419 6.672 1.00 0.00 C ATOM 0 H ALA A 170 -12.074 0.482 4.296 1.00 0.00 H new ATOM 0 HA ALA A 170 -13.366 1.358 6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 170 -11.295 0.591 7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 170 -11.861 -0.577 6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 170 -10.489 0.495 6.154 1.00 0.00 H new ATOM 269 N ASP A 171 -10.651 3.126 5.954 1.00 0.00 N ATOM 270 CA ASP A 171 -10.030 4.432 6.150 1.00 0.00 C ATOM 271 C ASP A 171 -10.894 5.539 5.554 1.00 0.00 C ATOM 272 O ASP A 171 -10.801 6.698 5.958 1.00 0.00 O ATOM 273 CB ASP A 171 -8.638 4.458 5.517 1.00 0.00 C ATOM 274 CG ASP A 171 -8.086 5.865 5.391 1.00 0.00 C ATOM 275 OD1 ASP A 171 -7.840 6.502 6.436 1.00 0.00 O ATOM 276 OD2 ASP A 171 -7.900 6.327 4.246 1.00 0.00 O ATOM 0 H ASP A 171 -10.066 2.451 5.462 1.00 0.00 H new ATOM 0 HA ASP A 171 -9.937 4.606 7.222 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -7.957 3.856 6.119 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -8.682 3.998 4.530 1.00 0.00 H new ATOM 281 N ARG A 172 -11.734 5.174 4.591 1.00 0.00 N ATOM 282 CA ARG A 172 -12.613 6.136 3.938 1.00 0.00 C ATOM 283 C ARG A 172 -13.930 6.273 4.698 1.00 0.00 C ATOM 284 O ARG A 172 -14.666 7.243 4.516 1.00 0.00 O ATOM 285 CB ARG A 172 -12.887 5.712 2.494 1.00 0.00 C ATOM 286 CG ARG A 172 -13.119 6.880 1.550 1.00 0.00 C ATOM 287 CD ARG A 172 -11.971 7.876 1.603 1.00 0.00 C ATOM 288 NE ARG A 172 -12.190 8.909 2.613 1.00 0.00 N ATOM 289 CZ ARG A 172 -13.102 9.867 2.498 1.00 0.00 C ATOM 290 NH1 ARG A 172 -13.878 9.924 1.425 1.00 0.00 N ATOM 291 NH2 ARG A 172 -13.241 10.771 3.460 1.00 0.00 N ATOM 0 H ARG A 172 -11.824 4.218 4.246 1.00 0.00 H new ATOM 0 HA ARG A 172 -12.112 7.104 3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -12.044 5.124 2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -13.761 5.061 2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -13.233 6.509 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -14.050 7.382 1.813 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -11.042 7.348 1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -11.851 8.344 0.626 1.00 0.00 H new ATOM 0 HE ARG A 172 -11.611 8.893 3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -13.776 9.230 0.684 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -14.578 10.661 1.340 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -12.647 10.730 4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -13.942 11.507 3.371 1.00 0.00 H new ATOM 305 N HIS A 173 -14.221 5.293 5.548 1.00 0.00 N ATOM 306 CA HIS A 173 -15.449 5.304 6.336 1.00 0.00 C ATOM 307 C HIS A 173 -15.138 5.426 7.825 1.00 0.00 C ATOM 308 O HIS A 173 -15.943 5.036 8.670 1.00 0.00 O ATOM 309 CB HIS A 173 -16.258 4.034 6.074 1.00 0.00 C ATOM 310 CG HIS A 173 -16.969 4.038 4.756 1.00 0.00 C ATOM 311 ND1 HIS A 173 -16.779 3.288 3.645 1.00 0.00 N flip ATOM 312 CD2 HIS A 173 -18.014 4.890 4.467 1.00 0.00 C flip ATOM 313 CE1 HIS A 173 -17.703 3.695 2.715 1.00 0.00 C flip ATOM 314 NE2 HIS A 173 -18.437 4.663 3.236 1.00 0.00 N flip ATOM 0 H HIS A 173 -13.624 4.482 5.709 1.00 0.00 H new ATOM 0 HA HIS A 173 -16.038 6.170 6.034 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -15.591 3.173 6.115 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -16.990 3.908 6.872 1.00 0.00 H new ATOM 0 HD1 HIS A 173 -16.079 2.556 3.522 1.00 0.00 H new ATOM 0 HD2 HIS A 173 -18.423 5.628 5.142 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -17.812 3.290 1.720 1.00 0.00 H new ATOM 322 N SER A 174 -13.966 5.969 8.137 1.00 0.00 N ATOM 323 CA SER A 174 -13.548 6.138 9.524 1.00 0.00 C ATOM 324 C SER A 174 -13.626 4.816 10.280 1.00 0.00 C ATOM 325 O SER A 174 -14.251 4.728 11.337 1.00 0.00 O ATOM 326 CB SER A 174 -14.419 7.187 10.218 1.00 0.00 C ATOM 327 OG SER A 174 -15.710 6.674 10.496 1.00 0.00 O ATOM 0 H SER A 174 -13.289 6.299 7.449 1.00 0.00 H new ATOM 0 HA SER A 174 -12.512 6.477 9.526 1.00 0.00 H new ATOM 0 HB2 SER A 174 -13.943 7.504 11.146 1.00 0.00 H new ATOM 0 HB3 SER A 174 -14.504 8.070 9.585 1.00 0.00 H new ATOM 0 HG SER A 174 -15.801 5.783 10.098 1.00 0.00 H new ATOM 333 N ASP A 175 -12.986 3.789 9.730 1.00 0.00 N ATOM 334 CA ASP A 175 -12.981 2.470 10.352 1.00 0.00 C ATOM 335 C ASP A 175 -11.554 1.997 10.612 1.00 0.00 C ATOM 336 O ASP A 175 -10.898 1.419 9.745 1.00 0.00 O ATOM 337 CB ASP A 175 -13.712 1.461 9.464 1.00 0.00 C ATOM 338 CG ASP A 175 -14.188 0.248 10.238 1.00 0.00 C ATOM 339 OD1 ASP A 175 -13.353 -0.632 10.534 1.00 0.00 O ATOM 340 OD2 ASP A 175 -15.396 0.177 10.546 1.00 0.00 O ATOM 0 H ASP A 175 -12.464 3.845 8.855 1.00 0.00 H new ATOM 0 HA ASP A 175 -13.500 2.544 11.308 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -14.567 1.947 8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -13.048 1.139 8.662 1.00 0.00 H new ATOM 345 N PRO A 176 -11.060 2.249 11.833 1.00 0.00 N ATOM 346 CA PRO A 176 -9.706 1.859 12.236 1.00 0.00 C ATOM 347 C PRO A 176 -9.557 0.348 12.380 1.00 0.00 C ATOM 348 O PRO A 176 -8.572 -0.234 11.926 1.00 0.00 O ATOM 349 CB PRO A 176 -9.526 2.546 13.592 1.00 0.00 C ATOM 350 CG PRO A 176 -10.910 2.712 14.118 1.00 0.00 C ATOM 351 CD PRO A 176 -11.786 2.935 12.916 1.00 0.00 C ATOM 0 HA PRO A 176 -8.961 2.149 11.495 1.00 0.00 H new ATOM 0 HB2 PRO A 176 -8.917 1.942 14.264 1.00 0.00 H new ATOM 0 HB3 PRO A 176 -9.025 3.508 13.485 1.00 0.00 H new ATOM 0 HG2 PRO A 176 -11.225 1.828 14.672 1.00 0.00 H new ATOM 0 HG3 PRO A 176 -10.968 3.556 14.805 1.00 0.00 H new ATOM 0 HD2 PRO A 176 -12.782 2.516 13.061 1.00 0.00 H new ATOM 0 HD3 PRO A 176 -11.915 3.996 12.704 1.00 0.00 H new ATOM 359 N GLU A 177 -10.541 -0.281 13.014 1.00 0.00 N ATOM 360 CA GLU A 177 -10.518 -1.725 13.218 1.00 0.00 C ATOM 361 C GLU A 177 -10.227 -2.454 11.910 1.00 0.00 C ATOM 362 O GLU A 177 -9.218 -3.149 11.784 1.00 0.00 O ATOM 363 CB GLU A 177 -11.853 -2.202 13.795 1.00 0.00 C ATOM 364 CG GLU A 177 -13.065 -1.643 13.069 1.00 0.00 C ATOM 365 CD GLU A 177 -14.269 -1.488 13.978 1.00 0.00 C ATOM 366 OE1 GLU A 177 -14.608 -2.462 14.683 1.00 0.00 O ATOM 367 OE2 GLU A 177 -14.872 -0.395 13.984 1.00 0.00 O ATOM 0 H GLU A 177 -11.364 0.186 13.395 1.00 0.00 H new ATOM 0 HA GLU A 177 -9.722 -1.954 13.926 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -11.887 -3.291 13.757 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -11.907 -1.918 14.846 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -12.812 -0.674 12.639 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -13.323 -2.302 12.240 1.00 0.00 H new ATOM 374 N LEU A 178 -11.118 -2.292 10.938 1.00 0.00 N ATOM 375 CA LEU A 178 -10.959 -2.935 9.638 1.00 0.00 C ATOM 376 C LEU A 178 -9.726 -2.402 8.915 1.00 0.00 C ATOM 377 O LEU A 178 -8.821 -3.161 8.567 1.00 0.00 O ATOM 378 CB LEU A 178 -12.205 -2.711 8.780 1.00 0.00 C ATOM 379 CG LEU A 178 -12.302 -3.550 7.505 1.00 0.00 C ATOM 380 CD1 LEU A 178 -12.348 -5.032 7.844 1.00 0.00 C ATOM 381 CD2 LEU A 178 -13.525 -3.148 6.694 1.00 0.00 C ATOM 0 H LEU A 178 -11.958 -1.721 11.025 1.00 0.00 H new ATOM 0 HA LEU A 178 -10.827 -4.004 9.802 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -13.084 -2.913 9.392 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -12.246 -1.658 8.502 1.00 0.00 H new ATOM 0 HG LEU A 178 -11.414 -3.364 6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -12.417 -5.614 6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -11.442 -5.310 8.382 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -13.218 -5.236 8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -13.578 -3.755 5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -14.424 -3.305 7.290 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -13.450 -2.096 6.420 1.00 0.00 H new ATOM 393 N TYR A 179 -9.697 -1.093 8.694 1.00 0.00 N ATOM 394 CA TYR A 179 -8.575 -0.458 8.012 1.00 0.00 C ATOM 395 C TYR A 179 -7.247 -1.032 8.496 1.00 0.00 C ATOM 396 O TYR A 179 -6.417 -1.467 7.697 1.00 0.00 O ATOM 397 CB TYR A 179 -8.602 1.055 8.240 1.00 0.00 C ATOM 398 CG TYR A 179 -7.573 1.808 7.428 1.00 0.00 C ATOM 399 CD1 TYR A 179 -7.306 1.457 6.111 1.00 0.00 C ATOM 400 CD2 TYR A 179 -6.866 2.869 7.980 1.00 0.00 C ATOM 401 CE1 TYR A 179 -6.365 2.142 5.366 1.00 0.00 C ATOM 402 CE2 TYR A 179 -5.925 3.561 7.242 1.00 0.00 C ATOM 403 CZ TYR A 179 -5.678 3.193 5.935 1.00 0.00 C ATOM 404 OH TYR A 179 -4.740 3.879 5.197 1.00 0.00 O ATOM 0 H TYR A 179 -10.437 -0.451 8.977 1.00 0.00 H new ATOM 0 HA TYR A 179 -8.670 -0.660 6.945 1.00 0.00 H new ATOM 0 HB2 TYR A 179 -9.594 1.433 7.994 1.00 0.00 H new ATOM 0 HB3 TYR A 179 -8.437 1.258 9.298 1.00 0.00 H new ATOM 0 HD1 TYR A 179 -7.843 0.635 5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 179 -7.055 3.158 9.003 1.00 0.00 H new ATOM 0 HE1 TYR A 179 -6.169 1.855 4.343 1.00 0.00 H new ATOM 0 HE2 TYR A 179 -5.386 4.385 7.685 1.00 0.00 H new ATOM 0 HH TYR A 179 -4.349 4.590 5.746 1.00 0.00 H new ATOM 414 N THR A 180 -7.054 -1.032 9.811 1.00 0.00 N ATOM 415 CA THR A 180 -5.828 -1.552 10.404 1.00 0.00 C ATOM 416 C THR A 180 -5.569 -2.987 9.960 1.00 0.00 C ATOM 417 O THR A 180 -4.501 -3.300 9.434 1.00 0.00 O ATOM 418 CB THR A 180 -5.883 -1.504 11.942 1.00 0.00 C ATOM 419 OG1 THR A 180 -6.165 -0.171 12.381 1.00 0.00 O ATOM 420 CG2 THR A 180 -4.569 -1.975 12.546 1.00 0.00 C ATOM 0 H THR A 180 -7.731 -0.677 10.486 1.00 0.00 H new ATOM 0 HA THR A 180 -5.014 -0.915 10.058 1.00 0.00 H new ATOM 0 HB THR A 180 -6.677 -2.172 12.276 1.00 0.00 H new ATOM 0 HG1 THR A 180 -7.127 0.002 12.305 1.00 0.00 H new ATOM 0 HG21 THR A 180 -4.632 -1.932 13.633 1.00 0.00 H new ATOM 0 HG22 THR A 180 -4.372 -3.001 12.234 1.00 0.00 H new ATOM 0 HG23 THR A 180 -3.759 -1.330 12.204 1.00 0.00 H new ATOM 428 N ALA A 181 -6.552 -3.854 10.174 1.00 0.00 N ATOM 429 CA ALA A 181 -6.431 -5.256 9.793 1.00 0.00 C ATOM 430 C ALA A 181 -6.068 -5.395 8.319 1.00 0.00 C ATOM 431 O ALA A 181 -4.953 -5.791 7.979 1.00 0.00 O ATOM 432 CB ALA A 181 -7.725 -5.998 10.093 1.00 0.00 C ATOM 0 H ALA A 181 -7.442 -3.611 10.609 1.00 0.00 H new ATOM 0 HA ALA A 181 -5.627 -5.699 10.381 1.00 0.00 H new ATOM 0 HB1 ALA A 181 -7.620 -7.044 9.803 1.00 0.00 H new ATOM 0 HB2 ALA A 181 -7.941 -5.937 11.160 1.00 0.00 H new ATOM 0 HB3 ALA A 181 -8.542 -5.546 9.531 1.00 0.00 H new ATOM 438 N ALA A 182 -7.016 -5.067 7.447 1.00 0.00 N ATOM 439 CA ALA A 182 -6.795 -5.154 6.009 1.00 0.00 C ATOM 440 C ALA A 182 -5.480 -4.491 5.615 1.00 0.00 C ATOM 441 O ALA A 182 -4.706 -5.040 4.830 1.00 0.00 O ATOM 442 CB ALA A 182 -7.955 -4.518 5.258 1.00 0.00 C ATOM 0 H ALA A 182 -7.945 -4.739 7.712 1.00 0.00 H new ATOM 0 HA ALA A 182 -6.735 -6.208 5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 182 -7.777 -4.590 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 182 -8.879 -5.039 5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 182 -8.041 -3.469 5.542 1.00 0.00 H new ATOM 448 N LYS A 183 -5.232 -3.307 6.164 1.00 0.00 N ATOM 449 CA LYS A 183 -4.009 -2.568 5.870 1.00 0.00 C ATOM 450 C LYS A 183 -2.777 -3.423 6.147 1.00 0.00 C ATOM 451 O LYS A 183 -1.890 -3.544 5.302 1.00 0.00 O ATOM 452 CB LYS A 183 -3.952 -1.286 6.703 1.00 0.00 C ATOM 453 CG LYS A 183 -2.684 -0.478 6.489 1.00 0.00 C ATOM 454 CD LYS A 183 -2.886 0.984 6.851 1.00 0.00 C ATOM 455 CE LYS A 183 -3.124 1.161 8.343 1.00 0.00 C ATOM 456 NZ LYS A 183 -2.912 2.570 8.775 1.00 0.00 N ATOM 0 H LYS A 183 -5.862 -2.838 6.815 1.00 0.00 H new ATOM 0 HA LYS A 183 -4.017 -2.306 4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -4.814 -0.665 6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -4.034 -1.545 7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -1.879 -0.896 7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -2.373 -0.556 5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -2.010 1.559 6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -3.735 1.383 6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -4.141 0.855 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -2.453 0.506 8.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -2.866 2.612 9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -2.021 2.926 8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -3.701 3.158 8.440 1.00 0.00 H new ATOM 470 N HIS A 184 -2.729 -4.015 7.336 1.00 0.00 N ATOM 471 CA HIS A 184 -1.605 -4.861 7.724 1.00 0.00 C ATOM 472 C HIS A 184 -1.362 -5.951 6.685 1.00 0.00 C ATOM 473 O HIS A 184 -0.219 -6.233 6.322 1.00 0.00 O ATOM 474 CB HIS A 184 -1.863 -5.493 9.092 1.00 0.00 C ATOM 475 CG HIS A 184 -1.750 -4.525 10.230 1.00 0.00 C ATOM 476 ND1 HIS A 184 -1.249 -3.269 10.276 1.00 0.00 N flip ATOM 477 CD2 HIS A 184 -2.182 -4.811 11.507 1.00 0.00 C flip ATOM 478 CE1 HIS A 184 -1.386 -2.823 11.568 1.00 0.00 C flip ATOM 479 NE2 HIS A 184 -1.953 -3.773 12.291 1.00 0.00 N flip ATOM 0 H HIS A 184 -3.455 -3.925 8.047 1.00 0.00 H new ATOM 0 HA HIS A 184 -0.715 -4.235 7.784 1.00 0.00 H new ATOM 0 HB2 HIS A 184 -2.860 -5.933 9.098 1.00 0.00 H new ATOM 0 HB3 HIS A 184 -1.155 -6.307 9.246 1.00 0.00 H new ATOM 0 HD2 HIS A 184 -2.637 -5.740 11.818 1.00 0.00 H new ATOM 0 HE1 HIS A 184 -1.080 -1.854 11.933 1.00 0.00 H new ATOM 0 HE2 HIS A 184 -2.176 -3.715 13.285 1.00 0.00 H new ATOM 487 N CYS A 185 -2.443 -6.562 6.211 1.00 0.00 N ATOM 488 CA CYS A 185 -2.347 -7.622 5.214 1.00 0.00 C ATOM 489 C CYS A 185 -1.780 -7.087 3.903 1.00 0.00 C ATOM 490 O CYS A 185 -1.116 -7.810 3.162 1.00 0.00 O ATOM 491 CB CYS A 185 -3.721 -8.249 4.972 1.00 0.00 C ATOM 492 SG CYS A 185 -3.659 -9.935 4.323 1.00 0.00 S ATOM 0 H CYS A 185 -3.396 -6.341 6.501 1.00 0.00 H new ATOM 0 HA CYS A 185 -1.670 -8.386 5.596 1.00 0.00 H new ATOM 0 HB2 CYS A 185 -4.277 -8.252 5.909 1.00 0.00 H new ATOM 0 HB3 CYS A 185 -4.276 -7.623 4.274 1.00 0.00 H new ATOM 0 HG CYS A 185 -4.869 -10.380 4.154 1.00 0.00 H new ATOM 498 N ALA A 186 -2.049 -5.816 3.624 1.00 0.00 N ATOM 499 CA ALA A 186 -1.565 -5.184 2.402 1.00 0.00 C ATOM 500 C ALA A 186 -0.065 -4.924 2.476 1.00 0.00 C ATOM 501 O ALA A 186 0.701 -5.402 1.638 1.00 0.00 O ATOM 502 CB ALA A 186 -2.316 -3.885 2.148 1.00 0.00 C ATOM 0 H ALA A 186 -2.599 -5.204 4.227 1.00 0.00 H new ATOM 0 HA ALA A 186 -1.748 -5.866 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 186 -1.945 -3.423 1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 186 -3.380 -4.095 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 186 -2.161 -3.205 2.986 1.00 0.00 H new ATOM 508 N LYS A 187 0.351 -4.163 3.483 1.00 0.00 N ATOM 509 CA LYS A 187 1.760 -3.839 3.667 1.00 0.00 C ATOM 510 C LYS A 187 2.618 -5.099 3.624 1.00 0.00 C ATOM 511 O LYS A 187 3.710 -5.102 3.054 1.00 0.00 O ATOM 512 CB LYS A 187 1.968 -3.112 4.997 1.00 0.00 C ATOM 513 CG LYS A 187 1.966 -4.036 6.202 1.00 0.00 C ATOM 514 CD LYS A 187 2.457 -3.325 7.452 1.00 0.00 C ATOM 515 CE LYS A 187 2.782 -4.311 8.563 1.00 0.00 C ATOM 516 NZ LYS A 187 4.068 -5.020 8.316 1.00 0.00 N ATOM 0 H LYS A 187 -0.269 -3.759 4.185 1.00 0.00 H new ATOM 0 HA LYS A 187 2.066 -3.184 2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 187 2.916 -2.575 4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 187 1.183 -2.366 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 187 0.957 -4.414 6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 187 2.600 -4.899 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 187 3.344 -2.739 7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 187 1.696 -2.625 7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 187 2.836 -3.782 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 187 1.976 -5.040 8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 187 4.331 -5.567 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 187 3.959 -5.664 7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 187 4.813 -4.325 8.108 1.00 0.00 H new ATOM 530 N THR A 188 2.118 -6.171 4.231 1.00 0.00 N ATOM 531 CA THR A 188 2.838 -7.438 4.262 1.00 0.00 C ATOM 532 C THR A 188 2.861 -8.092 2.885 1.00 0.00 C ATOM 533 O THR A 188 3.863 -8.684 2.485 1.00 0.00 O ATOM 534 CB THR A 188 2.209 -8.417 5.272 1.00 0.00 C ATOM 535 OG1 THR A 188 3.003 -9.605 5.361 1.00 0.00 O ATOM 536 CG2 THR A 188 0.789 -8.778 4.864 1.00 0.00 C ATOM 0 H THR A 188 1.217 -6.187 4.708 1.00 0.00 H new ATOM 0 HA THR A 188 3.859 -7.213 4.571 1.00 0.00 H new ATOM 0 HB THR A 188 2.176 -7.929 6.246 1.00 0.00 H new ATOM 0 HG1 THR A 188 2.598 -10.222 6.006 1.00 0.00 H new ATOM 0 HG21 THR A 188 0.366 -9.470 5.592 1.00 0.00 H new ATOM 0 HG22 THR A 188 0.180 -7.874 4.826 1.00 0.00 H new ATOM 0 HG23 THR A 188 0.801 -9.249 3.881 1.00 0.00 H new ATOM 544 N HIS A 189 1.750 -7.979 2.163 1.00 0.00 N ATOM 545 CA HIS A 189 1.644 -8.559 0.829 1.00 0.00 C ATOM 546 C HIS A 189 1.340 -7.482 -0.208 1.00 0.00 C ATOM 547 O HIS A 189 0.360 -7.578 -0.949 1.00 0.00 O ATOM 548 CB HIS A 189 0.555 -9.632 0.802 1.00 0.00 C ATOM 549 CG HIS A 189 0.790 -10.749 1.771 1.00 0.00 C ATOM 550 ND1 HIS A 189 -0.004 -11.263 2.740 1.00 0.00 N flip ATOM 551 CD2 HIS A 189 1.962 -11.474 1.814 1.00 0.00 C flip ATOM 552 CE1 HIS A 189 0.695 -12.279 3.343 1.00 0.00 C flip ATOM 553 NE2 HIS A 189 1.878 -12.387 2.765 1.00 0.00 N flip ATOM 0 H HIS A 189 0.912 -7.492 2.479 1.00 0.00 H new ATOM 0 HA HIS A 189 2.601 -9.018 0.581 1.00 0.00 H new ATOM 0 HB2 HIS A 189 -0.406 -9.168 1.022 1.00 0.00 H new ATOM 0 HB3 HIS A 189 0.487 -10.044 -0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 189 2.816 -11.320 1.171 1.00 0.00 H new ATOM 0 HE1 HIS A 189 0.336 -12.891 4.158 1.00 0.00 H new ATOM 0 HE2 HIS A 189 2.603 -13.061 3.011 1.00 0.00 H new ATOM 561 N LEU A 190 2.185 -6.458 -0.256 1.00 0.00 N ATOM 562 CA LEU A 190 2.006 -5.362 -1.202 1.00 0.00 C ATOM 563 C LEU A 190 2.182 -5.848 -2.637 1.00 0.00 C ATOM 564 O LEU A 190 1.379 -5.529 -3.514 1.00 0.00 O ATOM 565 CB LEU A 190 3.002 -4.240 -0.907 1.00 0.00 C ATOM 566 CG LEU A 190 2.543 -2.825 -1.261 1.00 0.00 C ATOM 567 CD1 LEU A 190 3.507 -1.794 -0.693 1.00 0.00 C ATOM 568 CD2 LEU A 190 2.417 -2.667 -2.769 1.00 0.00 C ATOM 0 H LEU A 190 3.001 -6.364 0.349 1.00 0.00 H new ATOM 0 HA LEU A 190 0.992 -4.979 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 190 3.245 -4.267 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 190 3.924 -4.448 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 190 1.562 -2.659 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 190 3.165 -0.793 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 190 3.547 -1.892 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 190 4.501 -1.958 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 190 2.089 -1.654 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 190 3.384 -2.852 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.687 -3.381 -3.150 1.00 0.00 H new ATOM 580 N ALA A 191 3.235 -6.624 -2.869 1.00 0.00 N ATOM 581 CA ALA A 191 3.514 -7.158 -4.197 1.00 0.00 C ATOM 582 C ALA A 191 2.251 -7.729 -4.834 1.00 0.00 C ATOM 583 O ALA A 191 1.829 -7.284 -5.901 1.00 0.00 O ATOM 584 CB ALA A 191 4.597 -8.223 -4.121 1.00 0.00 C ATOM 0 H ALA A 191 3.910 -6.897 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 191 3.869 -6.340 -4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 191 4.795 -8.613 -5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 191 5.509 -7.786 -3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 191 4.264 -9.035 -3.474 1.00 0.00 H new ATOM 590 N GLN A 192 1.655 -8.717 -4.174 1.00 0.00 N ATOM 591 CA GLN A 192 0.442 -9.349 -4.679 1.00 0.00 C ATOM 592 C GLN A 192 -0.564 -8.302 -5.146 1.00 0.00 C ATOM 593 O GLN A 192 -1.465 -8.598 -5.931 1.00 0.00 O ATOM 594 CB GLN A 192 -0.186 -10.230 -3.598 1.00 0.00 C ATOM 595 CG GLN A 192 0.700 -11.388 -3.166 1.00 0.00 C ATOM 596 CD GLN A 192 0.926 -12.396 -4.276 1.00 0.00 C ATOM 597 OE1 GLN A 192 1.696 -12.151 -5.205 1.00 0.00 O ATOM 598 NE2 GLN A 192 0.254 -13.537 -4.184 1.00 0.00 N ATOM 0 H GLN A 192 1.992 -9.097 -3.289 1.00 0.00 H new ATOM 0 HA GLN A 192 0.714 -9.970 -5.532 1.00 0.00 H new ATOM 0 HB2 GLN A 192 -0.416 -9.615 -2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -1.132 -10.625 -3.968 1.00 0.00 H new ATOM 0 HG2 GLN A 192 1.662 -10.999 -2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 192 0.245 -11.890 -2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 192 -0.374 -13.697 -3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 192 0.365 -14.254 -4.901 1.00 0.00 H new ATOM 607 N LEU A 193 -0.404 -7.076 -4.658 1.00 0.00 N ATOM 608 CA LEU A 193 -1.298 -5.984 -5.026 1.00 0.00 C ATOM 609 C LEU A 193 -0.646 -5.070 -6.057 1.00 0.00 C ATOM 610 O LEU A 193 -1.326 -4.488 -6.902 1.00 0.00 O ATOM 611 CB LEU A 193 -1.686 -5.177 -3.785 1.00 0.00 C ATOM 612 CG LEU A 193 -1.964 -5.987 -2.518 1.00 0.00 C ATOM 613 CD1 LEU A 193 -2.070 -5.068 -1.311 1.00 0.00 C ATOM 614 CD2 LEU A 193 -3.233 -6.810 -2.678 1.00 0.00 C ATOM 0 H LEU A 193 0.336 -6.814 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 193 -2.196 -6.416 -5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -0.885 -4.469 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -2.575 -4.591 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 193 -1.131 -6.671 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -2.268 -5.661 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -1.134 -4.524 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -2.884 -4.359 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -3.415 -7.380 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -4.077 -6.145 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -3.119 -7.496 -3.518 1.00 0.00 H new ATOM 626 N GLN A 194 0.676 -4.950 -5.983 1.00 0.00 N ATOM 627 CA GLN A 194 1.420 -4.108 -6.912 1.00 0.00 C ATOM 628 C GLN A 194 1.201 -4.560 -8.352 1.00 0.00 C ATOM 629 O GLN A 194 1.245 -3.754 -9.280 1.00 0.00 O ATOM 630 CB GLN A 194 2.912 -4.136 -6.578 1.00 0.00 C ATOM 631 CG GLN A 194 3.685 -5.202 -7.337 1.00 0.00 C ATOM 632 CD GLN A 194 5.183 -5.100 -7.123 1.00 0.00 C ATOM 633 OE1 GLN A 194 5.589 -4.877 -5.879 1.00 0.00 O flip ATOM 634 NE2 GLN A 194 5.966 -5.221 -8.066 1.00 0.00 N flip ATOM 0 H GLN A 194 1.253 -5.425 -5.289 1.00 0.00 H new ATOM 0 HA GLN A 194 1.052 -3.087 -6.811 1.00 0.00 H new ATOM 0 HB2 GLN A 194 3.344 -3.160 -6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 194 3.033 -4.304 -5.508 1.00 0.00 H new ATOM 0 HG2 GLN A 194 3.343 -6.188 -7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 194 3.467 -5.115 -8.401 1.00 0.00 H new ATOM 0 HE21 GLN A 194 5.609 -5.392 -9.006 1.00 0.00 H new ATOM 0 HE22 GLN A 194 6.971 -5.150 -7.907 1.00 0.00 H new ATOM 643 N ASN A 195 0.964 -5.856 -8.531 1.00 0.00 N ATOM 644 CA ASN A 195 0.740 -6.416 -9.858 1.00 0.00 C ATOM 645 C ASN A 195 -0.738 -6.354 -10.232 1.00 0.00 C ATOM 646 O ASN A 195 -1.182 -7.016 -11.171 1.00 0.00 O ATOM 647 CB ASN A 195 1.231 -7.864 -9.914 1.00 0.00 C ATOM 648 CG ASN A 195 2.715 -7.960 -10.208 1.00 0.00 C ATOM 649 OD1 ASN A 195 3.550 -7.708 -9.339 1.00 0.00 O ATOM 650 ND2 ASN A 195 3.051 -8.326 -11.440 1.00 0.00 N ATOM 0 H ASN A 195 0.922 -6.538 -7.773 1.00 0.00 H new ATOM 0 HA ASN A 195 1.304 -5.820 -10.576 1.00 0.00 H new ATOM 0 HB2 ASN A 195 1.019 -8.354 -8.963 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.676 -8.404 -10.681 1.00 0.00 H new ATOM 0 HD21 ASN A 195 4.035 -8.408 -11.697 1.00 0.00 H new ATOM 0 HD22 ASN A 195 2.325 -8.525 -12.129 1.00 0.00 H new ATOM 657 N THR A 196 -1.498 -5.553 -9.490 1.00 0.00 N ATOM 658 CA THR A 196 -2.925 -5.404 -9.742 1.00 0.00 C ATOM 659 C THR A 196 -3.287 -3.948 -10.012 1.00 0.00 C ATOM 660 O THR A 196 -2.591 -3.035 -9.569 1.00 0.00 O ATOM 661 CB THR A 196 -3.762 -5.918 -8.555 1.00 0.00 C ATOM 662 OG1 THR A 196 -3.686 -4.993 -7.465 1.00 0.00 O ATOM 663 CG2 THR A 196 -3.274 -7.286 -8.101 1.00 0.00 C ATOM 0 H THR A 196 -1.148 -4.998 -8.709 1.00 0.00 H new ATOM 0 HA THR A 196 -3.154 -6.002 -10.624 1.00 0.00 H new ATOM 0 HB THR A 196 -4.798 -6.009 -8.882 1.00 0.00 H new ATOM 0 HG1 THR A 196 -2.822 -4.530 -7.488 1.00 0.00 H new ATOM 0 HG21 THR A 196 -3.880 -7.628 -7.262 1.00 0.00 H new ATOM 0 HG22 THR A 196 -3.361 -7.995 -8.924 1.00 0.00 H new ATOM 0 HG23 THR A 196 -2.231 -7.216 -7.791 1.00 0.00 H new ATOM 671 N GLU A 197 -4.380 -3.740 -10.739 1.00 0.00 N ATOM 672 CA GLU A 197 -4.833 -2.393 -11.067 1.00 0.00 C ATOM 673 C GLU A 197 -5.271 -1.646 -9.811 1.00 0.00 C ATOM 674 O GLU A 197 -4.768 -0.562 -9.515 1.00 0.00 O ATOM 675 CB GLU A 197 -5.989 -2.449 -12.068 1.00 0.00 C ATOM 676 CG GLU A 197 -5.558 -2.834 -13.474 1.00 0.00 C ATOM 677 CD GLU A 197 -4.307 -2.103 -13.921 1.00 0.00 C ATOM 678 OE1 GLU A 197 -3.204 -2.488 -13.480 1.00 0.00 O ATOM 679 OE2 GLU A 197 -4.431 -1.145 -14.713 1.00 0.00 O ATOM 0 H GLU A 197 -4.968 -4.486 -11.112 1.00 0.00 H new ATOM 0 HA GLU A 197 -3.998 -1.856 -11.517 1.00 0.00 H new ATOM 0 HB2 GLU A 197 -6.730 -3.166 -11.715 1.00 0.00 H new ATOM 0 HB3 GLU A 197 -6.478 -1.475 -12.101 1.00 0.00 H new ATOM 0 HG2 GLU A 197 -5.380 -3.909 -13.514 1.00 0.00 H new ATOM 0 HG3 GLU A 197 -6.369 -2.619 -14.170 1.00 0.00 H new ATOM 686 N GLU A 198 -6.211 -2.233 -9.077 1.00 0.00 N ATOM 687 CA GLU A 198 -6.717 -1.622 -7.853 1.00 0.00 C ATOM 688 C GLU A 198 -5.612 -0.857 -7.130 1.00 0.00 C ATOM 689 O GLU A 198 -5.653 0.370 -7.032 1.00 0.00 O ATOM 690 CB GLU A 198 -7.303 -2.690 -6.928 1.00 0.00 C ATOM 691 CG GLU A 198 -8.782 -2.949 -7.157 1.00 0.00 C ATOM 692 CD GLU A 198 -9.085 -3.388 -8.576 1.00 0.00 C ATOM 693 OE1 GLU A 198 -8.207 -4.021 -9.200 1.00 0.00 O ATOM 694 OE2 GLU A 198 -10.198 -3.100 -9.063 1.00 0.00 O ATOM 0 H GLU A 198 -6.637 -3.130 -9.308 1.00 0.00 H new ATOM 0 HA GLU A 198 -7.503 -0.918 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 198 -6.754 -3.621 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 198 -7.152 -2.384 -5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 198 -9.124 -3.716 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 198 -9.345 -2.043 -6.933 1.00 0.00 H new ATOM 701 N PHE A 199 -4.626 -1.590 -6.624 1.00 0.00 N ATOM 702 CA PHE A 199 -3.511 -0.982 -5.908 1.00 0.00 C ATOM 703 C PHE A 199 -3.096 0.332 -6.563 1.00 0.00 C ATOM 704 O PHE A 199 -3.055 1.377 -5.912 1.00 0.00 O ATOM 705 CB PHE A 199 -2.320 -1.942 -5.866 1.00 0.00 C ATOM 706 CG PHE A 199 -1.060 -1.312 -5.345 1.00 0.00 C ATOM 707 CD1 PHE A 199 -0.908 -1.052 -3.993 1.00 0.00 C ATOM 708 CD2 PHE A 199 -0.028 -0.980 -6.208 1.00 0.00 C ATOM 709 CE1 PHE A 199 0.250 -0.471 -3.512 1.00 0.00 C ATOM 710 CE2 PHE A 199 1.132 -0.399 -5.732 1.00 0.00 C ATOM 711 CZ PHE A 199 1.272 -0.145 -4.382 1.00 0.00 C ATOM 0 H PHE A 199 -4.576 -2.606 -6.697 1.00 0.00 H new ATOM 0 HA PHE A 199 -3.837 -0.773 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 199 -2.575 -2.797 -5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 199 -2.137 -2.325 -6.870 1.00 0.00 H new ATOM 0 HD1 PHE A 199 -1.703 -1.306 -3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 199 -0.131 -1.178 -7.265 1.00 0.00 H new ATOM 0 HE1 PHE A 199 0.356 -0.272 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 199 1.928 -0.144 -6.415 1.00 0.00 H new ATOM 0 HZ PHE A 199 2.178 0.307 -4.007 1.00 0.00 H new ATOM 721 N LEU A 200 -2.789 0.272 -7.854 1.00 0.00 N ATOM 722 CA LEU A 200 -2.376 1.457 -8.598 1.00 0.00 C ATOM 723 C LEU A 200 -3.482 2.508 -8.605 1.00 0.00 C ATOM 724 O LEU A 200 -3.211 3.709 -8.587 1.00 0.00 O ATOM 725 CB LEU A 200 -2.008 1.079 -10.034 1.00 0.00 C ATOM 726 CG LEU A 200 -0.920 0.015 -10.190 1.00 0.00 C ATOM 727 CD1 LEU A 200 -1.139 -0.789 -11.462 1.00 0.00 C ATOM 728 CD2 LEU A 200 0.458 0.659 -10.193 1.00 0.00 C ATOM 0 H LEU A 200 -2.818 -0.584 -8.407 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.501 1.879 -8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.908 0.726 -10.538 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -1.684 1.980 -10.554 1.00 0.00 H new ATOM 0 HG LEU A 200 -0.978 -0.666 -9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -0.356 -1.541 -11.556 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -2.111 -1.281 -11.419 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -1.108 -0.122 -12.324 1.00 0.00 H new ATOM 0 HD21 LEU A 200 1.220 -0.112 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 200 0.529 1.362 -11.023 1.00 0.00 H new ATOM 0 HD23 LEU A 200 0.614 1.189 -9.254 1.00 0.00 H new ATOM 740 N HIS A 201 -4.729 2.048 -8.628 1.00 0.00 N ATOM 741 CA HIS A 201 -5.876 2.949 -8.633 1.00 0.00 C ATOM 742 C HIS A 201 -6.037 3.632 -7.278 1.00 0.00 C ATOM 743 O HIS A 201 -6.713 4.655 -7.164 1.00 0.00 O ATOM 744 CB HIS A 201 -7.151 2.183 -8.986 1.00 0.00 C ATOM 745 CG HIS A 201 -7.439 2.143 -10.456 1.00 0.00 C ATOM 746 ND1 HIS A 201 -8.347 2.981 -11.067 1.00 0.00 N ATOM 747 CD2 HIS A 201 -6.930 1.361 -11.437 1.00 0.00 C ATOM 748 CE1 HIS A 201 -8.386 2.715 -12.361 1.00 0.00 C ATOM 749 NE2 HIS A 201 -7.536 1.736 -12.611 1.00 0.00 N ATOM 0 H HIS A 201 -4.971 1.057 -8.643 1.00 0.00 H new ATOM 0 HA HIS A 201 -5.701 3.716 -9.388 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -7.067 1.162 -8.613 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -7.995 2.642 -8.471 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -6.186 0.587 -11.318 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -9.007 3.214 -13.090 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -7.358 1.325 -13.527 1.00 0.00 H new ATOM 757 N LEU A 202 -5.413 3.059 -6.255 1.00 0.00 N ATOM 758 CA LEU A 202 -5.488 3.612 -4.907 1.00 0.00 C ATOM 759 C LEU A 202 -4.806 4.975 -4.839 1.00 0.00 C ATOM 760 O LEU A 202 -3.886 5.275 -5.600 1.00 0.00 O ATOM 761 CB LEU A 202 -4.841 2.654 -3.905 1.00 0.00 C ATOM 762 CG LEU A 202 -5.343 1.210 -3.936 1.00 0.00 C ATOM 763 CD1 LEU A 202 -4.665 0.386 -2.852 1.00 0.00 C ATOM 764 CD2 LEU A 202 -6.855 1.168 -3.773 1.00 0.00 C ATOM 0 H LEU A 202 -4.850 2.212 -6.333 1.00 0.00 H new ATOM 0 HA LEU A 202 -6.540 3.740 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -3.765 2.647 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -4.997 3.050 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 202 -5.090 0.778 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -5.035 -0.639 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.587 0.389 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -4.887 0.816 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -7.195 0.133 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -7.131 1.618 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 202 -7.324 1.723 -4.585 1.00 0.00 H new ATOM 776 N PRO A 203 -5.265 5.820 -3.904 1.00 0.00 N ATOM 777 CA PRO A 203 -4.711 7.164 -3.712 1.00 0.00 C ATOM 778 C PRO A 203 -3.301 7.133 -3.132 1.00 0.00 C ATOM 779 O PRO A 203 -2.659 6.082 -3.090 1.00 0.00 O ATOM 780 CB PRO A 203 -5.683 7.809 -2.720 1.00 0.00 C ATOM 781 CG PRO A 203 -6.284 6.665 -1.979 1.00 0.00 C ATOM 782 CD PRO A 203 -6.358 5.529 -2.962 1.00 0.00 C ATOM 0 HA PRO A 203 -4.619 7.705 -4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -5.165 8.490 -2.044 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -6.447 8.391 -3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -5.675 6.396 -1.116 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -7.274 6.921 -1.603 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -6.220 4.565 -2.473 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -7.324 5.496 -3.466 1.00 0.00 H new ATOM 790 N HIS A 204 -2.824 8.290 -2.685 1.00 0.00 N ATOM 791 CA HIS A 204 -1.489 8.395 -2.107 1.00 0.00 C ATOM 792 C HIS A 204 -1.542 8.245 -0.589 1.00 0.00 C ATOM 793 O HIS A 204 -0.646 7.658 0.018 1.00 0.00 O ATOM 794 CB HIS A 204 -0.854 9.735 -2.477 1.00 0.00 C ATOM 795 CG HIS A 204 0.198 10.186 -1.510 1.00 0.00 C ATOM 796 ND1 HIS A 204 -0.041 11.110 -0.515 1.00 0.00 N ATOM 797 CD2 HIS A 204 1.499 9.834 -1.390 1.00 0.00 C ATOM 798 CE1 HIS A 204 1.068 11.308 0.175 1.00 0.00 C ATOM 799 NE2 HIS A 204 2.018 10.545 -0.335 1.00 0.00 N ATOM 0 H HIS A 204 -3.342 9.168 -2.712 1.00 0.00 H new ATOM 0 HA HIS A 204 -0.879 7.588 -2.514 1.00 0.00 H new ATOM 0 HB2 HIS A 204 -0.413 9.657 -3.471 1.00 0.00 H new ATOM 0 HB3 HIS A 204 -1.634 10.494 -2.533 1.00 0.00 H new ATOM 0 HD2 HIS A 204 2.031 9.126 -2.008 1.00 0.00 H new ATOM 0 HE1 HIS A 204 1.179 11.980 1.014 1.00 0.00 H new ATOM 0 HE2 HIS A 204 2.980 10.492 -0.000 1.00 0.00 H new ATOM 807 N ARG A 205 -2.596 8.780 0.017 1.00 0.00 N ATOM 808 CA ARG A 205 -2.764 8.707 1.464 1.00 0.00 C ATOM 809 C ARG A 205 -2.778 7.256 1.937 1.00 0.00 C ATOM 810 O ARG A 205 -2.098 6.900 2.900 1.00 0.00 O ATOM 811 CB ARG A 205 -4.059 9.404 1.884 1.00 0.00 C ATOM 812 CG ARG A 205 -4.231 9.514 3.390 1.00 0.00 C ATOM 813 CD ARG A 205 -5.259 10.573 3.758 1.00 0.00 C ATOM 814 NE ARG A 205 -5.532 10.596 5.193 1.00 0.00 N ATOM 815 CZ ARG A 205 -6.449 11.376 5.754 1.00 0.00 C ATOM 816 NH1 ARG A 205 -7.178 12.192 5.005 1.00 0.00 N ATOM 817 NH2 ARG A 205 -6.639 11.340 7.067 1.00 0.00 N ATOM 0 H ARG A 205 -3.347 9.269 -0.471 1.00 0.00 H new ATOM 0 HA ARG A 205 -1.919 9.215 1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -4.081 10.404 1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -4.906 8.858 1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -4.540 8.550 3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -3.274 9.760 3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -4.900 11.552 3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -6.185 10.383 3.216 1.00 0.00 H new ATOM 0 HE ARG A 205 -4.989 9.979 5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -7.035 12.222 3.995 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -7.882 12.790 5.438 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -6.081 10.713 7.646 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -7.343 11.939 7.497 1.00 0.00 H new ATOM 831 N LEU A 206 -3.558 6.425 1.255 1.00 0.00 N ATOM 832 CA LEU A 206 -3.661 5.012 1.606 1.00 0.00 C ATOM 833 C LEU A 206 -2.352 4.283 1.321 1.00 0.00 C ATOM 834 O LEU A 206 -1.878 3.493 2.138 1.00 0.00 O ATOM 835 CB LEU A 206 -4.804 4.356 0.829 1.00 0.00 C ATOM 836 CG LEU A 206 -6.195 4.477 1.451 1.00 0.00 C ATOM 837 CD1 LEU A 206 -7.272 4.269 0.397 1.00 0.00 C ATOM 838 CD2 LEU A 206 -6.360 3.479 2.588 1.00 0.00 C ATOM 0 H LEU A 206 -4.128 6.704 0.457 1.00 0.00 H new ATOM 0 HA LEU A 206 -3.868 4.942 2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 206 -4.835 4.792 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 206 -4.573 3.298 0.707 1.00 0.00 H new ATOM 0 HG LEU A 206 -6.303 5.482 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 206 -8.255 4.359 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 206 -7.168 5.023 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 206 -7.166 3.276 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 206 -7.356 3.580 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 206 -6.231 2.467 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 206 -5.611 3.675 3.356 1.00 0.00 H new ATOM 850 N LEU A 207 -1.772 4.554 0.157 1.00 0.00 N ATOM 851 CA LEU A 207 -0.515 3.926 -0.236 1.00 0.00 C ATOM 852 C LEU A 207 0.598 4.274 0.746 1.00 0.00 C ATOM 853 O LEU A 207 1.184 3.393 1.376 1.00 0.00 O ATOM 854 CB LEU A 207 -0.122 4.365 -1.648 1.00 0.00 C ATOM 855 CG LEU A 207 1.309 4.041 -2.077 1.00 0.00 C ATOM 856 CD1 LEU A 207 1.508 2.537 -2.179 1.00 0.00 C ATOM 857 CD2 LEU A 207 1.634 4.715 -3.402 1.00 0.00 C ATOM 0 H LEU A 207 -2.152 5.204 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 207 -0.658 2.846 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 207 -0.807 3.898 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 207 -0.268 5.442 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 207 1.991 4.426 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 207 2.532 2.325 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 207 1.317 2.078 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 207 0.817 2.128 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 207 2.657 4.473 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 207 0.946 4.360 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 207 1.533 5.795 -3.295 1.00 0.00 H new ATOM 869 N THR A 208 0.885 5.566 0.874 1.00 0.00 N ATOM 870 CA THR A 208 1.927 6.031 1.780 1.00 0.00 C ATOM 871 C THR A 208 1.761 5.423 3.168 1.00 0.00 C ATOM 872 O THR A 208 2.734 4.991 3.787 1.00 0.00 O ATOM 873 CB THR A 208 1.922 7.567 1.901 1.00 0.00 C ATOM 874 OG1 THR A 208 3.111 8.010 2.565 1.00 0.00 O ATOM 875 CG2 THR A 208 0.699 8.045 2.669 1.00 0.00 C ATOM 0 H THR A 208 0.410 6.309 0.361 1.00 0.00 H new ATOM 0 HA THR A 208 2.879 5.710 1.357 1.00 0.00 H new ATOM 0 HB THR A 208 1.889 7.988 0.896 1.00 0.00 H new ATOM 0 HG1 THR A 208 3.101 8.987 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 208 0.717 9.132 2.742 1.00 0.00 H new ATOM 0 HG22 THR A 208 -0.205 7.731 2.146 1.00 0.00 H new ATOM 0 HG23 THR A 208 0.707 7.614 3.670 1.00 0.00 H new ATOM 883 N ASP A 209 0.524 5.391 3.651 1.00 0.00 N ATOM 884 CA ASP A 209 0.231 4.833 4.966 1.00 0.00 C ATOM 885 C ASP A 209 0.774 3.412 5.087 1.00 0.00 C ATOM 886 O ASP A 209 1.523 3.101 6.013 1.00 0.00 O ATOM 887 CB ASP A 209 -1.277 4.839 5.221 1.00 0.00 C ATOM 888 CG ASP A 209 -1.764 6.159 5.785 1.00 0.00 C ATOM 889 OD1 ASP A 209 -1.040 6.755 6.610 1.00 0.00 O ATOM 890 OD2 ASP A 209 -2.868 6.597 5.401 1.00 0.00 O ATOM 0 H ASP A 209 -0.292 5.745 3.152 1.00 0.00 H new ATOM 0 HA ASP A 209 0.721 5.455 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 209 -1.801 4.630 4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 209 -1.528 4.036 5.914 1.00 0.00 H new ATOM 895 N ILE A 210 0.391 2.556 4.146 1.00 0.00 N ATOM 896 CA ILE A 210 0.839 1.169 4.149 1.00 0.00 C ATOM 897 C ILE A 210 2.356 1.082 4.287 1.00 0.00 C ATOM 898 O ILE A 210 2.870 0.386 5.163 1.00 0.00 O ATOM 899 CB ILE A 210 0.410 0.436 2.864 1.00 0.00 C ATOM 900 CG1 ILE A 210 -1.110 0.256 2.837 1.00 0.00 C ATOM 901 CG2 ILE A 210 1.110 -0.911 2.763 1.00 0.00 C ATOM 902 CD1 ILE A 210 -1.664 0.000 1.454 1.00 0.00 C ATOM 0 H ILE A 210 -0.228 2.798 3.372 1.00 0.00 H new ATOM 0 HA ILE A 210 0.369 0.688 5.007 1.00 0.00 H new ATOM 0 HB ILE A 210 0.701 1.040 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 210 -1.381 -0.576 3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 210 -1.581 1.149 3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 210 0.796 -1.417 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 210 2.189 -0.760 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.847 -1.523 3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -2.746 -0.118 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -1.424 0.842 0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.221 -0.909 1.047 1.00 0.00 H new ATOM 914 N ILE A 211 3.065 1.794 3.418 1.00 0.00 N ATOM 915 CA ILE A 211 4.523 1.800 3.446 1.00 0.00 C ATOM 916 C ILE A 211 5.046 2.476 4.708 1.00 0.00 C ATOM 917 O ILE A 211 6.117 2.134 5.209 1.00 0.00 O ATOM 918 CB ILE A 211 5.106 2.516 2.213 1.00 0.00 C ATOM 919 CG1 ILE A 211 4.567 3.945 2.124 1.00 0.00 C ATOM 920 CG2 ILE A 211 4.779 1.740 0.946 1.00 0.00 C ATOM 921 CD1 ILE A 211 5.216 4.769 1.034 1.00 0.00 C ATOM 0 H ILE A 211 2.654 2.374 2.686 1.00 0.00 H new ATOM 0 HA ILE A 211 4.844 0.758 3.436 1.00 0.00 H new ATOM 0 HB ILE A 211 6.190 2.563 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 211 3.492 3.909 1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 211 4.718 4.442 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 211 5.198 2.259 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 211 5.207 0.740 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 211 3.697 1.665 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 211 4.785 5.770 1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 211 6.288 4.836 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 211 5.043 4.295 0.068 1.00 0.00 H new ATOM 933 N SER A 212 4.282 3.436 5.219 1.00 0.00 N ATOM 934 CA SER A 212 4.669 4.163 6.422 1.00 0.00 C ATOM 935 C SER A 212 4.830 3.210 7.603 1.00 0.00 C ATOM 936 O SER A 212 5.743 3.360 8.415 1.00 0.00 O ATOM 937 CB SER A 212 3.629 5.234 6.754 1.00 0.00 C ATOM 938 OG SER A 212 2.588 4.703 7.556 1.00 0.00 O ATOM 0 H SER A 212 3.391 3.728 4.818 1.00 0.00 H new ATOM 0 HA SER A 212 5.628 4.646 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 212 4.109 6.062 7.277 1.00 0.00 H new ATOM 0 HB3 SER A 212 3.212 5.638 5.832 1.00 0.00 H new ATOM 0 HG SER A 212 2.207 3.914 7.117 1.00 0.00 H new ATOM 944 N ASP A 213 3.936 2.232 7.692 1.00 0.00 N ATOM 945 CA ASP A 213 3.978 1.254 8.773 1.00 0.00 C ATOM 946 C ASP A 213 5.178 0.325 8.619 1.00 0.00 C ATOM 947 O ASP A 213 5.733 -0.158 9.605 1.00 0.00 O ATOM 948 CB ASP A 213 2.685 0.436 8.800 1.00 0.00 C ATOM 949 CG ASP A 213 1.587 1.117 9.592 1.00 0.00 C ATOM 950 OD1 ASP A 213 1.895 1.711 10.646 1.00 0.00 O ATOM 951 OD2 ASP A 213 0.418 1.057 9.157 1.00 0.00 O ATOM 0 H ASP A 213 3.173 2.095 7.029 1.00 0.00 H new ATOM 0 HA ASP A 213 4.077 1.794 9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 213 2.343 0.269 7.779 1.00 0.00 H new ATOM 0 HB3 ASP A 213 2.887 -0.544 9.233 1.00 0.00 H new ATOM 956 N GLY A 214 5.574 0.078 7.373 1.00 0.00 N ATOM 957 CA GLY A 214 6.705 -0.793 7.113 1.00 0.00 C ATOM 958 C GLY A 214 6.414 -1.814 6.030 1.00 0.00 C ATOM 959 O GLY A 214 5.263 -2.202 5.826 1.00 0.00 O ATOM 0 H GLY A 214 5.131 0.466 6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 214 7.564 -0.190 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 214 6.980 -1.311 8.032 1.00 0.00 H new ATOM 963 N VAL A 215 7.458 -2.248 5.333 1.00 0.00 N ATOM 964 CA VAL A 215 7.309 -3.229 4.264 1.00 0.00 C ATOM 965 C VAL A 215 8.486 -4.198 4.240 1.00 0.00 C ATOM 966 O VAL A 215 9.650 -3.801 4.291 1.00 0.00 O ATOM 967 CB VAL A 215 7.191 -2.548 2.888 1.00 0.00 C ATOM 968 CG1 VAL A 215 7.050 -3.587 1.787 1.00 0.00 C ATOM 969 CG2 VAL A 215 6.017 -1.580 2.873 1.00 0.00 C ATOM 0 H VAL A 215 8.417 -1.936 5.489 1.00 0.00 H new ATOM 0 HA VAL A 215 6.391 -3.781 4.467 1.00 0.00 H new ATOM 0 HB VAL A 215 8.103 -1.981 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 215 6.968 -3.086 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 215 7.925 -4.236 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 215 6.155 -4.184 1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 215 5.948 -1.107 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 215 5.095 -2.123 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 215 6.166 -0.815 3.635 1.00 0.00 H new ATOM 979 N PRO A 216 8.178 -5.501 4.160 1.00 0.00 N ATOM 980 CA PRO A 216 9.197 -6.555 4.125 1.00 0.00 C ATOM 981 C PRO A 216 9.982 -6.559 2.818 1.00 0.00 C ATOM 982 O PRO A 216 9.411 -6.728 1.740 1.00 0.00 O ATOM 983 CB PRO A 216 8.381 -7.842 4.263 1.00 0.00 C ATOM 984 CG PRO A 216 7.030 -7.492 3.742 1.00 0.00 C ATOM 985 CD PRO A 216 6.812 -6.046 4.096 1.00 0.00 C ATOM 0 HA PRO A 216 9.946 -6.424 4.906 1.00 0.00 H new ATOM 0 HB2 PRO A 216 8.827 -8.656 3.692 1.00 0.00 H new ATOM 0 HB3 PRO A 216 8.332 -8.170 5.301 1.00 0.00 H new ATOM 0 HG2 PRO A 216 6.976 -7.642 2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 216 6.263 -8.124 4.190 1.00 0.00 H new ATOM 0 HD2 PRO A 216 6.210 -5.535 3.345 1.00 0.00 H new ATOM 0 HD3 PRO A 216 6.292 -5.939 5.048 1.00 0.00 H new ATOM 993 N CYS A 217 11.294 -6.374 2.921 1.00 0.00 N ATOM 994 CA CYS A 217 12.158 -6.356 1.746 1.00 0.00 C ATOM 995 C CYS A 217 11.662 -7.341 0.692 1.00 0.00 C ATOM 996 O CYS A 217 11.522 -6.992 -0.480 1.00 0.00 O ATOM 997 CB CYS A 217 13.596 -6.694 2.140 1.00 0.00 C ATOM 998 SG CYS A 217 14.803 -6.444 0.817 1.00 0.00 S ATOM 0 H CYS A 217 11.782 -6.234 3.806 1.00 0.00 H new ATOM 0 HA CYS A 217 12.132 -5.353 1.321 1.00 0.00 H new ATOM 0 HB2 CYS A 217 13.880 -6.082 2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 217 13.638 -7.734 2.463 1.00 0.00 H new ATOM 0 HG CYS A 217 15.990 -6.755 1.248 1.00 0.00 H new ATOM 1004 N SER A 218 11.399 -8.573 1.117 1.00 0.00 N ATOM 1005 CA SER A 218 10.924 -9.609 0.208 1.00 0.00 C ATOM 1006 C SER A 218 9.945 -9.033 -0.809 1.00 0.00 C ATOM 1007 O SER A 218 10.052 -9.296 -2.007 1.00 0.00 O ATOM 1008 CB SER A 218 10.255 -10.739 0.994 1.00 0.00 C ATOM 1009 OG SER A 218 11.220 -11.555 1.635 1.00 0.00 O ATOM 0 H SER A 218 11.507 -8.877 2.084 1.00 0.00 H new ATOM 0 HA SER A 218 11.784 -10.009 -0.329 1.00 0.00 H new ATOM 0 HB2 SER A 218 9.578 -10.318 1.738 1.00 0.00 H new ATOM 0 HB3 SER A 218 9.650 -11.346 0.320 1.00 0.00 H new ATOM 0 HG SER A 218 10.767 -12.268 2.132 1.00 0.00 H new ATOM 1015 N GLN A 219 8.990 -8.246 -0.323 1.00 0.00 N ATOM 1016 CA GLN A 219 7.990 -7.633 -1.189 1.00 0.00 C ATOM 1017 C GLN A 219 8.516 -6.335 -1.792 1.00 0.00 C ATOM 1018 O GLN A 219 8.292 -5.253 -1.252 1.00 0.00 O ATOM 1019 CB GLN A 219 6.704 -7.362 -0.407 1.00 0.00 C ATOM 1020 CG GLN A 219 5.857 -8.603 -0.180 1.00 0.00 C ATOM 1021 CD GLN A 219 6.638 -9.735 0.459 1.00 0.00 C ATOM 1022 OE1 GLN A 219 7.111 -9.617 1.590 1.00 0.00 O ATOM 1023 NE2 GLN A 219 6.779 -10.839 -0.264 1.00 0.00 N ATOM 0 H GLN A 219 8.888 -8.018 0.666 1.00 0.00 H new ATOM 0 HA GLN A 219 7.773 -8.328 -2.000 1.00 0.00 H new ATOM 0 HB2 GLN A 219 6.961 -6.926 0.558 1.00 0.00 H new ATOM 0 HB3 GLN A 219 6.112 -6.621 -0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 219 5.009 -8.348 0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 219 5.451 -8.940 -1.134 1.00 0.00 H new ATOM 0 HE21 GLN A 219 6.370 -10.893 -1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 219 7.296 -11.633 0.113 1.00 0.00 H new ATOM 1032 N ASN A 220 9.217 -6.451 -2.916 1.00 0.00 N ATOM 1033 CA ASN A 220 9.776 -5.286 -3.592 1.00 0.00 C ATOM 1034 C ASN A 220 8.870 -4.071 -3.420 1.00 0.00 C ATOM 1035 O ASN A 220 7.898 -3.881 -4.152 1.00 0.00 O ATOM 1036 CB ASN A 220 9.974 -5.581 -5.080 1.00 0.00 C ATOM 1037 CG ASN A 220 10.959 -6.710 -5.320 1.00 0.00 C ATOM 1038 OD1 ASN A 220 12.170 -6.492 -5.367 1.00 0.00 O ATOM 1039 ND2 ASN A 220 10.442 -7.923 -5.472 1.00 0.00 N ATOM 0 H ASN A 220 9.411 -7.340 -3.377 1.00 0.00 H new ATOM 0 HA ASN A 220 10.743 -5.064 -3.140 1.00 0.00 H new ATOM 0 HB2 ASN A 220 9.014 -5.839 -5.527 1.00 0.00 H new ATOM 0 HB3 ASN A 220 10.328 -4.681 -5.582 1.00 0.00 H new ATOM 0 HD21 ASN A 220 11.055 -8.722 -5.635 1.00 0.00 H new ATOM 0 HD22 ASN A 220 9.432 -8.056 -5.425 1.00 0.00 H new ATOM 1046 N PRO A 221 9.194 -3.226 -2.430 1.00 0.00 N ATOM 1047 CA PRO A 221 8.423 -2.014 -2.139 1.00 0.00 C ATOM 1048 C PRO A 221 8.577 -0.955 -3.224 1.00 0.00 C ATOM 1049 O PRO A 221 7.589 -0.424 -3.734 1.00 0.00 O ATOM 1050 CB PRO A 221 9.024 -1.520 -0.820 1.00 0.00 C ATOM 1051 CG PRO A 221 10.410 -2.067 -0.806 1.00 0.00 C ATOM 1052 CD PRO A 221 10.339 -3.390 -1.518 1.00 0.00 C ATOM 0 HA PRO A 221 7.353 -2.214 -2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 221 9.028 -0.431 -0.770 1.00 0.00 H new ATOM 0 HB3 PRO A 221 8.449 -1.876 0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 221 11.102 -1.390 -1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 221 10.770 -2.192 0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 221 11.259 -3.603 -2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 221 10.183 -4.213 -0.821 1.00 0.00 H new ATOM 1060 N THR A 222 9.823 -0.650 -3.576 1.00 0.00 N ATOM 1061 CA THR A 222 10.106 0.346 -4.601 1.00 0.00 C ATOM 1062 C THR A 222 9.320 0.062 -5.876 1.00 0.00 C ATOM 1063 O THR A 222 8.662 0.948 -6.419 1.00 0.00 O ATOM 1064 CB THR A 222 11.608 0.395 -4.937 1.00 0.00 C ATOM 1065 OG1 THR A 222 12.025 -0.854 -5.500 1.00 0.00 O ATOM 1066 CG2 THR A 222 12.432 0.697 -3.695 1.00 0.00 C ATOM 0 H THR A 222 10.652 -1.079 -3.165 1.00 0.00 H new ATOM 0 HA THR A 222 9.800 1.311 -4.197 1.00 0.00 H new ATOM 0 HB THR A 222 11.769 1.192 -5.662 1.00 0.00 H new ATOM 0 HG1 THR A 222 12.981 -0.814 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 222 13.489 0.726 -3.958 1.00 0.00 H new ATOM 0 HG22 THR A 222 12.133 1.662 -3.286 1.00 0.00 H new ATOM 0 HG23 THR A 222 12.265 -0.081 -2.950 1.00 0.00 H new ATOM 1074 N GLU A 223 9.393 -1.179 -6.347 1.00 0.00 N ATOM 1075 CA GLU A 223 8.688 -1.578 -7.559 1.00 0.00 C ATOM 1076 C GLU A 223 7.267 -1.020 -7.570 1.00 0.00 C ATOM 1077 O GLU A 223 6.834 -0.416 -8.551 1.00 0.00 O ATOM 1078 CB GLU A 223 8.649 -3.103 -7.674 1.00 0.00 C ATOM 1079 CG GLU A 223 9.969 -3.714 -8.115 1.00 0.00 C ATOM 1080 CD GLU A 223 10.551 -3.027 -9.335 1.00 0.00 C ATOM 1081 OE1 GLU A 223 11.286 -2.032 -9.160 1.00 0.00 O ATOM 1082 OE2 GLU A 223 10.272 -3.482 -10.463 1.00 0.00 O ATOM 0 H GLU A 223 9.933 -1.925 -5.908 1.00 0.00 H new ATOM 0 HA GLU A 223 9.227 -1.170 -8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 223 8.367 -3.525 -6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 223 7.872 -3.386 -8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 223 10.684 -3.656 -7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 223 9.820 -4.771 -8.334 1.00 0.00 H new ATOM 1089 N ALA A 224 6.548 -1.227 -6.472 1.00 0.00 N ATOM 1090 CA ALA A 224 5.177 -0.744 -6.355 1.00 0.00 C ATOM 1091 C ALA A 224 5.123 0.778 -6.437 1.00 0.00 C ATOM 1092 O ALA A 224 4.247 1.342 -7.093 1.00 0.00 O ATOM 1093 CB ALA A 224 4.558 -1.227 -5.052 1.00 0.00 C ATOM 0 H ALA A 224 6.891 -1.726 -5.651 1.00 0.00 H new ATOM 0 HA ALA A 224 4.602 -1.147 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.535 -0.859 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 224 4.554 -2.317 -5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 224 5.141 -0.851 -4.211 1.00 0.00 H new ATOM 1099 N ILE A 225 6.062 1.436 -5.766 1.00 0.00 N ATOM 1100 CA ILE A 225 6.120 2.892 -5.764 1.00 0.00 C ATOM 1101 C ILE A 225 6.348 3.435 -7.171 1.00 0.00 C ATOM 1102 O ILE A 225 5.722 4.413 -7.578 1.00 0.00 O ATOM 1103 CB ILE A 225 7.237 3.410 -4.839 1.00 0.00 C ATOM 1104 CG1 ILE A 225 6.999 2.939 -3.403 1.00 0.00 C ATOM 1105 CG2 ILE A 225 7.313 4.928 -4.899 1.00 0.00 C ATOM 1106 CD1 ILE A 225 8.182 3.167 -2.488 1.00 0.00 C ATOM 0 H ILE A 225 6.793 0.984 -5.217 1.00 0.00 H new ATOM 0 HA ILE A 225 5.158 3.245 -5.392 1.00 0.00 H new ATOM 0 HB ILE A 225 8.189 3.005 -5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 225 6.131 3.459 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 225 6.757 1.876 -3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 225 8.107 5.279 -4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 225 7.525 5.242 -5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 225 6.362 5.353 -4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 225 7.942 2.809 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 225 9.047 2.624 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 225 8.411 4.232 -2.448 1.00 0.00 H new ATOM 1118 N GLU A 226 7.248 2.792 -7.909 1.00 0.00 N ATOM 1119 CA GLU A 226 7.558 3.211 -9.271 1.00 0.00 C ATOM 1120 C GLU A 226 6.331 3.089 -10.170 1.00 0.00 C ATOM 1121 O GLU A 226 6.032 3.988 -10.956 1.00 0.00 O ATOM 1122 CB GLU A 226 8.704 2.371 -9.838 1.00 0.00 C ATOM 1123 CG GLU A 226 9.996 2.492 -9.048 1.00 0.00 C ATOM 1124 CD GLU A 226 11.211 2.060 -9.846 1.00 0.00 C ATOM 1125 OE1 GLU A 226 11.174 0.958 -10.433 1.00 0.00 O ATOM 1126 OE2 GLU A 226 12.198 2.824 -9.883 1.00 0.00 O ATOM 0 H GLU A 226 7.775 1.980 -7.587 1.00 0.00 H new ATOM 0 HA GLU A 226 7.863 4.257 -9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 226 8.399 1.325 -9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 226 8.889 2.673 -10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 226 10.126 3.526 -8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 226 9.924 1.885 -8.146 1.00 0.00 H new ATOM 1133 N ALA A 227 5.624 1.971 -10.047 1.00 0.00 N ATOM 1134 CA ALA A 227 4.428 1.731 -10.847 1.00 0.00 C ATOM 1135 C ALA A 227 3.303 2.681 -10.450 1.00 0.00 C ATOM 1136 O ALA A 227 2.865 3.507 -11.249 1.00 0.00 O ATOM 1137 CB ALA A 227 3.978 0.285 -10.702 1.00 0.00 C ATOM 0 H ALA A 227 5.858 1.217 -9.401 1.00 0.00 H new ATOM 0 HA ALA A 227 4.675 1.919 -11.892 1.00 0.00 H new ATOM 0 HB1 ALA A 227 3.085 0.120 -11.304 1.00 0.00 H new ATOM 0 HB2 ALA A 227 4.773 -0.379 -11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 227 3.754 0.077 -9.656 1.00 0.00 H new ATOM 1143 N TRP A 228 2.840 2.556 -9.211 1.00 0.00 N ATOM 1144 CA TRP A 228 1.764 3.403 -8.709 1.00 0.00 C ATOM 1145 C TRP A 228 1.982 4.857 -9.113 1.00 0.00 C ATOM 1146 O TRP A 228 1.029 5.578 -9.410 1.00 0.00 O ATOM 1147 CB TRP A 228 1.669 3.293 -7.186 1.00 0.00 C ATOM 1148 CG TRP A 228 0.536 4.082 -6.603 1.00 0.00 C ATOM 1149 CD1 TRP A 228 -0.620 3.586 -6.072 1.00 0.00 C ATOM 1150 CD2 TRP A 228 0.451 5.507 -6.494 1.00 0.00 C ATOM 1151 NE1 TRP A 228 -1.419 4.616 -5.639 1.00 0.00 N ATOM 1152 CE2 TRP A 228 -0.785 5.805 -5.886 1.00 0.00 C ATOM 1153 CE3 TRP A 228 1.298 6.560 -6.848 1.00 0.00 C ATOM 1154 CZ2 TRP A 228 -1.191 7.111 -5.628 1.00 0.00 C ATOM 1155 CZ3 TRP A 228 0.894 7.856 -6.591 1.00 0.00 C ATOM 1156 CH2 TRP A 228 -0.341 8.123 -5.985 1.00 0.00 C ATOM 0 H TRP A 228 3.192 1.877 -8.536 1.00 0.00 H new ATOM 0 HA TRP A 228 0.829 3.059 -9.150 1.00 0.00 H new ATOM 0 HB2 TRP A 228 1.552 2.245 -6.911 1.00 0.00 H new ATOM 0 HB3 TRP A 228 2.605 3.635 -6.745 1.00 0.00 H new ATOM 0 HD1 TRP A 228 -0.870 2.538 -6.003 1.00 0.00 H new ATOM 0 HE1 TRP A 228 -2.336 4.512 -5.204 1.00 0.00 H new ATOM 0 HE3 TRP A 228 2.252 6.364 -7.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 228 -2.143 7.319 -5.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 228 1.541 8.677 -6.862 1.00 0.00 H new ATOM 0 HH2 TRP A 228 -0.628 9.147 -5.796 1.00 0.00 H new ATOM 1167 N ILE A 229 3.241 5.281 -9.124 1.00 0.00 N ATOM 1168 CA ILE A 229 3.583 6.649 -9.494 1.00 0.00 C ATOM 1169 C ILE A 229 3.581 6.826 -11.008 1.00 0.00 C ATOM 1170 O ILE A 229 2.957 7.746 -11.535 1.00 0.00 O ATOM 1171 CB ILE A 229 4.963 7.053 -8.943 1.00 0.00 C ATOM 1172 CG1 ILE A 229 4.855 7.429 -7.463 1.00 0.00 C ATOM 1173 CG2 ILE A 229 5.537 8.209 -9.748 1.00 0.00 C ATOM 1174 CD1 ILE A 229 4.333 8.830 -7.232 1.00 0.00 C ATOM 0 H ILE A 229 4.041 4.697 -8.881 1.00 0.00 H new ATOM 0 HA ILE A 229 2.822 7.294 -9.054 1.00 0.00 H new ATOM 0 HB ILE A 229 5.638 6.202 -9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 229 4.197 6.718 -6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 229 5.837 7.335 -7.000 1.00 0.00 H new ATOM 0 HG21 ILE A 229 6.513 8.483 -9.346 1.00 0.00 H new ATOM 0 HG22 ILE A 229 5.645 7.908 -10.790 1.00 0.00 H new ATOM 0 HG23 ILE A 229 4.865 9.065 -9.685 1.00 0.00 H new ATOM 0 HD11 ILE A 229 4.283 9.028 -6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 229 5.002 9.550 -7.703 1.00 0.00 H new ATOM 0 HD13 ILE A 229 3.337 8.923 -7.665 1.00 0.00 H new ATOM 1186 N ASN A 230 4.282 5.936 -11.703 1.00 0.00 N ATOM 1187 CA ASN A 230 4.361 5.992 -13.158 1.00 0.00 C ATOM 1188 C ASN A 230 3.008 6.355 -13.762 1.00 0.00 C ATOM 1189 O ASN A 230 2.930 7.127 -14.719 1.00 0.00 O ATOM 1190 CB ASN A 230 4.838 4.650 -13.717 1.00 0.00 C ATOM 1191 CG ASN A 230 5.320 4.759 -15.150 1.00 0.00 C ATOM 1192 OD1 ASN A 230 4.521 4.759 -16.087 1.00 0.00 O ATOM 1193 ND2 ASN A 230 6.633 4.851 -15.328 1.00 0.00 N ATOM 0 H ASN A 230 4.804 5.167 -11.282 1.00 0.00 H new ATOM 0 HA ASN A 230 5.080 6.766 -13.428 1.00 0.00 H new ATOM 0 HB2 ASN A 230 5.645 4.266 -13.093 1.00 0.00 H new ATOM 0 HB3 ASN A 230 4.023 3.928 -13.665 1.00 0.00 H new ATOM 0 HD21 ASN A 230 7.016 4.926 -16.270 1.00 0.00 H new ATOM 0 HD22 ASN A 230 7.258 4.847 -14.522 1.00 0.00 H new ATOM 1200 N PHE A 231 1.944 5.794 -13.198 1.00 0.00 N ATOM 1201 CA PHE A 231 0.593 6.058 -13.680 1.00 0.00 C ATOM 1202 C PHE A 231 0.433 7.523 -14.075 1.00 0.00 C ATOM 1203 O PHE A 231 0.102 7.836 -15.217 1.00 0.00 O ATOM 1204 CB PHE A 231 -0.435 5.691 -12.608 1.00 0.00 C ATOM 1205 CG PHE A 231 -1.759 5.259 -13.170 1.00 0.00 C ATOM 1206 CD1 PHE A 231 -1.925 3.983 -13.684 1.00 0.00 C ATOM 1207 CD2 PHE A 231 -2.837 6.129 -13.184 1.00 0.00 C ATOM 1208 CE1 PHE A 231 -3.143 3.584 -14.202 1.00 0.00 C ATOM 1209 CE2 PHE A 231 -4.057 5.735 -13.701 1.00 0.00 C ATOM 1210 CZ PHE A 231 -4.210 4.460 -14.210 1.00 0.00 C ATOM 0 H PHE A 231 1.991 5.153 -12.406 1.00 0.00 H new ATOM 0 HA PHE A 231 0.422 5.442 -14.563 1.00 0.00 H new ATOM 0 HB2 PHE A 231 -0.033 4.889 -11.990 1.00 0.00 H new ATOM 0 HB3 PHE A 231 -0.589 6.550 -11.955 1.00 0.00 H new ATOM 0 HD1 PHE A 231 -1.094 3.293 -13.680 1.00 0.00 H new ATOM 0 HD2 PHE A 231 -2.723 7.127 -12.786 1.00 0.00 H new ATOM 0 HE1 PHE A 231 -3.260 2.587 -14.600 1.00 0.00 H new ATOM 0 HE2 PHE A 231 -4.889 6.423 -13.707 1.00 0.00 H new ATOM 0 HZ PHE A 231 -5.162 4.149 -14.613 1.00 0.00 H new ATOM 1220 N ASN A 232 0.670 8.416 -13.119 1.00 0.00 N ATOM 1221 CA ASN A 232 0.551 9.849 -13.366 1.00 0.00 C ATOM 1222 C ASN A 232 1.770 10.595 -12.831 1.00 0.00 C ATOM 1223 O ASN A 232 1.649 11.692 -12.285 1.00 0.00 O ATOM 1224 CB ASN A 232 -0.722 10.395 -12.716 1.00 0.00 C ATOM 1225 CG ASN A 232 -0.833 11.902 -12.840 1.00 0.00 C ATOM 1226 OD1 ASN A 232 -0.696 12.629 -11.856 1.00 0.00 O ATOM 1227 ND2 ASN A 232 -1.083 12.379 -14.054 1.00 0.00 N ATOM 0 H ASN A 232 0.945 8.173 -12.167 1.00 0.00 H new ATOM 0 HA ASN A 232 0.496 10.005 -14.443 1.00 0.00 H new ATOM 0 HB2 ASN A 232 -1.592 9.930 -13.180 1.00 0.00 H new ATOM 0 HB3 ASN A 232 -0.736 10.118 -11.662 1.00 0.00 H new ATOM 0 HD21 ASN A 232 -1.169 13.385 -14.199 1.00 0.00 H new ATOM 0 HD22 ASN A 232 -1.189 11.739 -14.841 1.00 0.00 H new ATOM 1234 N LYS A 233 2.943 9.994 -12.993 1.00 0.00 N ATOM 1235 CA LYS A 233 4.185 10.601 -12.529 1.00 0.00 C ATOM 1236 C LYS A 233 4.263 12.067 -12.945 1.00 0.00 C ATOM 1237 O LYS A 233 4.705 12.917 -12.173 1.00 0.00 O ATOM 1238 CB LYS A 233 5.389 9.838 -13.086 1.00 0.00 C ATOM 1239 CG LYS A 233 6.658 10.027 -12.273 1.00 0.00 C ATOM 1240 CD LYS A 233 7.735 9.037 -12.682 1.00 0.00 C ATOM 1241 CE LYS A 233 8.999 9.215 -11.855 1.00 0.00 C ATOM 1242 NZ LYS A 233 9.853 10.317 -12.378 1.00 0.00 N ATOM 0 H LYS A 233 3.060 9.086 -13.443 1.00 0.00 H new ATOM 0 HA LYS A 233 4.201 10.549 -11.440 1.00 0.00 H new ATOM 0 HB2 LYS A 233 5.148 8.776 -13.126 1.00 0.00 H new ATOM 0 HB3 LYS A 233 5.572 10.163 -14.110 1.00 0.00 H new ATOM 0 HG2 LYS A 233 7.028 11.044 -12.405 1.00 0.00 H new ATOM 0 HG3 LYS A 233 6.434 9.905 -11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 233 7.361 8.020 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 233 7.969 9.168 -13.739 1.00 0.00 H new ATOM 0 HE2 LYS A 233 8.729 9.425 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 233 9.567 8.285 -11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 10.704 10.407 -11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 10.132 10.105 -13.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 9.320 11.210 -12.355 1.00 0.00 H new ATOM 1256 N GLU A 234 3.828 12.354 -14.168 1.00 0.00 N ATOM 1257 CA GLU A 234 3.849 13.717 -14.685 1.00 0.00 C ATOM 1258 C GLU A 234 3.575 14.725 -13.572 1.00 0.00 C ATOM 1259 O GLU A 234 4.118 15.829 -13.573 1.00 0.00 O ATOM 1260 CB GLU A 234 2.814 13.880 -15.800 1.00 0.00 C ATOM 1261 CG GLU A 234 1.381 13.680 -15.335 1.00 0.00 C ATOM 1262 CD GLU A 234 0.728 14.973 -14.887 1.00 0.00 C ATOM 1263 OE1 GLU A 234 1.460 15.960 -14.662 1.00 0.00 O ATOM 1264 OE2 GLU A 234 -0.514 14.998 -14.760 1.00 0.00 O ATOM 0 H GLU A 234 3.457 11.661 -14.819 1.00 0.00 H new ATOM 0 HA GLU A 234 4.843 13.909 -15.090 1.00 0.00 H new ATOM 0 HB2 GLU A 234 2.911 14.876 -16.232 1.00 0.00 H new ATOM 0 HB3 GLU A 234 3.032 13.166 -16.594 1.00 0.00 H new ATOM 0 HG2 GLU A 234 0.797 13.244 -16.146 1.00 0.00 H new ATOM 0 HG3 GLU A 234 1.366 12.966 -14.512 1.00 0.00 H new ATOM 1271 N GLU A 235 2.728 14.335 -12.624 1.00 0.00 N ATOM 1272 CA GLU A 235 2.381 15.205 -11.506 1.00 0.00 C ATOM 1273 C GLU A 235 2.653 14.512 -10.173 1.00 0.00 C ATOM 1274 O GLU A 235 3.185 15.119 -9.243 1.00 0.00 O ATOM 1275 CB GLU A 235 0.910 15.616 -11.588 1.00 0.00 C ATOM 1276 CG GLU A 235 0.584 16.872 -10.798 1.00 0.00 C ATOM 1277 CD GLU A 235 -0.820 17.380 -11.062 1.00 0.00 C ATOM 1278 OE1 GLU A 235 -1.757 16.555 -11.072 1.00 0.00 O ATOM 1279 OE2 GLU A 235 -0.982 18.603 -11.260 1.00 0.00 O ATOM 0 H GLU A 235 2.270 13.424 -12.608 1.00 0.00 H new ATOM 0 HA GLU A 235 3.004 16.097 -11.566 1.00 0.00 H new ATOM 0 HB2 GLU A 235 0.644 15.775 -12.633 1.00 0.00 H new ATOM 0 HB3 GLU A 235 0.292 14.796 -11.222 1.00 0.00 H new ATOM 0 HG2 GLU A 235 0.698 16.667 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 235 1.302 17.652 -11.051 1.00 0.00 H new ATOM 1286 N ARG A 236 2.283 13.238 -10.089 1.00 0.00 N ATOM 1287 CA ARG A 236 2.485 12.464 -8.871 1.00 0.00 C ATOM 1288 C ARG A 236 3.965 12.403 -8.503 1.00 0.00 C ATOM 1289 O ARG A 236 4.324 11.975 -7.407 1.00 0.00 O ATOM 1290 CB ARG A 236 1.933 11.047 -9.045 1.00 0.00 C ATOM 1291 CG ARG A 236 0.454 11.008 -9.394 1.00 0.00 C ATOM 1292 CD ARG A 236 -0.125 9.614 -9.212 1.00 0.00 C ATOM 1293 NE ARG A 236 -1.532 9.551 -9.597 1.00 0.00 N ATOM 1294 CZ ARG A 236 -2.343 8.555 -9.257 1.00 0.00 C ATOM 1295 NH1 ARG A 236 -1.889 7.545 -8.529 1.00 0.00 N ATOM 1296 NH2 ARG A 236 -3.612 8.569 -9.646 1.00 0.00 N ATOM 0 H ARG A 236 1.842 12.721 -10.850 1.00 0.00 H new ATOM 0 HA ARG A 236 1.948 12.960 -8.062 1.00 0.00 H new ATOM 0 HB2 ARG A 236 2.496 10.541 -9.829 1.00 0.00 H new ATOM 0 HB3 ARG A 236 2.095 10.487 -8.124 1.00 0.00 H new ATOM 0 HG2 ARG A 236 -0.088 11.713 -8.764 1.00 0.00 H new ATOM 0 HG3 ARG A 236 0.314 11.329 -10.426 1.00 0.00 H new ATOM 0 HD2 ARG A 236 0.446 8.903 -9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 236 -0.020 9.311 -8.170 1.00 0.00 H new ATOM 0 HE ARG A 236 -1.913 10.313 -10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 236 -0.915 7.531 -8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 236 -2.514 6.782 -8.270 1.00 0.00 H new ATOM 0 HH21 ARG A 236 -3.965 9.345 -10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 236 -4.234 7.804 -9.385 1.00 0.00 H new ATOM 1310 N GLU A 237 4.817 12.833 -9.428 1.00 0.00 N ATOM 1311 CA GLU A 237 6.257 12.826 -9.202 1.00 0.00 C ATOM 1312 C GLU A 237 6.584 13.229 -7.766 1.00 0.00 C ATOM 1313 O GLU A 237 7.277 12.506 -7.050 1.00 0.00 O ATOM 1314 CB GLU A 237 6.955 13.774 -10.180 1.00 0.00 C ATOM 1315 CG GLU A 237 8.334 14.216 -9.720 1.00 0.00 C ATOM 1316 CD GLU A 237 9.268 14.508 -10.878 1.00 0.00 C ATOM 1317 OE1 GLU A 237 8.789 15.008 -11.917 1.00 0.00 O ATOM 1318 OE2 GLU A 237 10.480 14.237 -10.745 1.00 0.00 O ATOM 0 H GLU A 237 4.535 13.190 -10.341 1.00 0.00 H new ATOM 0 HA GLU A 237 6.620 11.812 -9.369 1.00 0.00 H new ATOM 0 HB2 GLU A 237 7.045 13.282 -11.148 1.00 0.00 H new ATOM 0 HB3 GLU A 237 6.331 14.655 -10.327 1.00 0.00 H new ATOM 0 HG2 GLU A 237 8.238 15.108 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 237 8.770 13.439 -9.093 1.00 0.00 H new ATOM 1325 N ALA A 238 6.080 14.387 -7.354 1.00 0.00 N ATOM 1326 CA ALA A 238 6.316 14.886 -6.004 1.00 0.00 C ATOM 1327 C ALA A 238 6.126 13.782 -4.970 1.00 0.00 C ATOM 1328 O ALA A 238 6.965 13.590 -4.090 1.00 0.00 O ATOM 1329 CB ALA A 238 5.393 16.057 -5.705 1.00 0.00 C ATOM 0 H ALA A 238 5.506 14.998 -7.935 1.00 0.00 H new ATOM 0 HA ALA A 238 7.349 15.229 -5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 238 5.580 16.419 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 238 5.581 16.859 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 238 4.356 15.733 -5.788 1.00 0.00 H new ATOM 1335 N PHE A 239 5.017 13.058 -5.081 1.00 0.00 N ATOM 1336 CA PHE A 239 4.715 11.974 -4.154 1.00 0.00 C ATOM 1337 C PHE A 239 5.714 10.831 -4.311 1.00 0.00 C ATOM 1338 O PHE A 239 5.955 10.070 -3.374 1.00 0.00 O ATOM 1339 CB PHE A 239 3.293 11.458 -4.384 1.00 0.00 C ATOM 1340 CG PHE A 239 2.229 12.462 -4.042 1.00 0.00 C ATOM 1341 CD1 PHE A 239 1.883 12.702 -2.722 1.00 0.00 C ATOM 1342 CD2 PHE A 239 1.576 13.166 -5.040 1.00 0.00 C ATOM 1343 CE1 PHE A 239 0.904 13.624 -2.405 1.00 0.00 C ATOM 1344 CE2 PHE A 239 0.596 14.090 -4.729 1.00 0.00 C ATOM 1345 CZ PHE A 239 0.261 14.320 -3.409 1.00 0.00 C ATOM 0 H PHE A 239 4.312 13.203 -5.804 1.00 0.00 H new ATOM 0 HA PHE A 239 4.792 12.365 -3.139 1.00 0.00 H new ATOM 0 HB2 PHE A 239 3.185 11.167 -5.429 1.00 0.00 H new ATOM 0 HB3 PHE A 239 3.140 10.560 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 239 2.384 12.162 -1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 239 1.836 12.991 -6.074 1.00 0.00 H new ATOM 0 HE1 PHE A 239 0.642 13.800 -1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 239 0.093 14.631 -5.517 1.00 0.00 H new ATOM 0 HZ PHE A 239 -0.503 15.043 -3.163 1.00 0.00 H new ATOM 1355 N ALA A 240 6.292 10.717 -5.502 1.00 0.00 N ATOM 1356 CA ALA A 240 7.265 9.669 -5.782 1.00 0.00 C ATOM 1357 C ALA A 240 8.525 9.852 -4.943 1.00 0.00 C ATOM 1358 O ALA A 240 8.988 8.916 -4.291 1.00 0.00 O ATOM 1359 CB ALA A 240 7.612 9.653 -7.263 1.00 0.00 C ATOM 0 H ALA A 240 6.103 11.338 -6.289 1.00 0.00 H new ATOM 0 HA ALA A 240 6.818 8.711 -5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 240 8.340 8.865 -7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 240 6.710 9.466 -7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 240 8.035 10.616 -7.548 1.00 0.00 H new ATOM 1365 N GLU A 241 9.076 11.061 -4.966 1.00 0.00 N ATOM 1366 CA GLU A 241 10.284 11.365 -4.208 1.00 0.00 C ATOM 1367 C GLU A 241 10.022 11.275 -2.708 1.00 0.00 C ATOM 1368 O GLU A 241 10.753 10.605 -1.978 1.00 0.00 O ATOM 1369 CB GLU A 241 10.799 12.761 -4.564 1.00 0.00 C ATOM 1370 CG GLU A 241 11.684 12.787 -5.799 1.00 0.00 C ATOM 1371 CD GLU A 241 13.060 12.204 -5.543 1.00 0.00 C ATOM 1372 OE1 GLU A 241 13.164 10.968 -5.401 1.00 0.00 O ATOM 1373 OE2 GLU A 241 14.033 12.985 -5.485 1.00 0.00 O ATOM 0 H GLU A 241 8.705 11.846 -5.501 1.00 0.00 H new ATOM 0 HA GLU A 241 11.042 10.628 -4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 241 9.948 13.423 -4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 241 11.359 13.159 -3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 241 11.200 12.228 -6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 241 11.788 13.815 -6.145 1.00 0.00 H new ATOM 1380 N SER A 242 8.974 11.955 -2.254 1.00 0.00 N ATOM 1381 CA SER A 242 8.617 11.956 -0.840 1.00 0.00 C ATOM 1382 C SER A 242 8.329 10.539 -0.352 1.00 0.00 C ATOM 1383 O SER A 242 8.748 10.149 0.739 1.00 0.00 O ATOM 1384 CB SER A 242 7.397 12.848 -0.601 1.00 0.00 C ATOM 1385 OG SER A 242 7.770 14.213 -0.526 1.00 0.00 O ATOM 0 H SER A 242 8.357 12.512 -2.845 1.00 0.00 H new ATOM 0 HA SER A 242 9.463 12.351 -0.277 1.00 0.00 H new ATOM 0 HB2 SER A 242 6.677 12.708 -1.407 1.00 0.00 H new ATOM 0 HB3 SER A 242 6.902 12.552 0.324 1.00 0.00 H new ATOM 0 HG SER A 242 6.973 14.762 -0.375 1.00 0.00 H new ATOM 1391 N LEU A 243 7.611 9.774 -1.166 1.00 0.00 N ATOM 1392 CA LEU A 243 7.266 8.400 -0.819 1.00 0.00 C ATOM 1393 C LEU A 243 8.521 7.554 -0.631 1.00 0.00 C ATOM 1394 O LEU A 243 8.662 6.848 0.368 1.00 0.00 O ATOM 1395 CB LEU A 243 6.380 7.786 -1.904 1.00 0.00 C ATOM 1396 CG LEU A 243 4.899 8.163 -1.855 1.00 0.00 C ATOM 1397 CD1 LEU A 243 4.224 7.844 -3.180 1.00 0.00 C ATOM 1398 CD2 LEU A 243 4.202 7.440 -0.712 1.00 0.00 C ATOM 0 H LEU A 243 7.256 10.082 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 243 6.717 8.416 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 243 6.776 8.078 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 243 6.460 6.701 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 243 4.822 9.236 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 243 3.171 8.119 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 243 4.706 8.407 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 243 4.311 6.777 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 243 3.149 7.720 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 243 4.288 6.363 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 243 4.669 7.718 0.233 1.00 0.00 H new ATOM 1410 N ARG A 244 9.431 7.632 -1.596 1.00 0.00 N ATOM 1411 CA ARG A 244 10.675 6.875 -1.537 1.00 0.00 C ATOM 1412 C ARG A 244 11.398 7.120 -0.216 1.00 0.00 C ATOM 1413 O ARG A 244 11.813 6.180 0.463 1.00 0.00 O ATOM 1414 CB ARG A 244 11.585 7.254 -2.707 1.00 0.00 C ATOM 1415 CG ARG A 244 11.283 6.489 -3.985 1.00 0.00 C ATOM 1416 CD ARG A 244 12.188 6.931 -5.125 1.00 0.00 C ATOM 1417 NE ARG A 244 13.435 6.171 -5.160 1.00 0.00 N ATOM 1418 CZ ARG A 244 14.541 6.602 -5.756 1.00 0.00 C ATOM 1419 NH1 ARG A 244 14.556 7.781 -6.363 1.00 0.00 N ATOM 1420 NH2 ARG A 244 15.637 5.853 -5.745 1.00 0.00 N ATOM 0 H ARG A 244 9.330 8.212 -2.429 1.00 0.00 H new ATOM 0 HA ARG A 244 10.429 5.815 -1.606 1.00 0.00 H new ATOM 0 HB2 ARG A 244 11.487 8.322 -2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 244 12.622 7.075 -2.423 1.00 0.00 H new ATOM 0 HG2 ARG A 244 11.411 5.421 -3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 244 10.241 6.643 -4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 244 11.663 6.810 -6.072 1.00 0.00 H new ATOM 0 HD3 ARG A 244 12.413 7.992 -5.019 1.00 0.00 H new ATOM 0 HE ARG A 244 13.458 5.260 -4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 244 13.716 8.360 -6.373 1.00 0.00 H new ATOM 0 HH12 ARG A 244 15.407 8.109 -6.820 1.00 0.00 H new ATOM 0 HH21 ARG A 244 15.630 4.946 -5.279 1.00 0.00 H new ATOM 0 HH22 ARG A 244 16.486 6.185 -6.203 1.00 0.00 H new ATOM 1434 N THR A 245 11.548 8.391 0.144 1.00 0.00 N ATOM 1435 CA THR A 245 12.222 8.761 1.382 1.00 0.00 C ATOM 1436 C THR A 245 11.548 8.118 2.589 1.00 0.00 C ATOM 1437 O THR A 245 12.218 7.602 3.483 1.00 0.00 O ATOM 1438 CB THR A 245 12.244 10.289 1.575 1.00 0.00 C ATOM 1439 OG1 THR A 245 12.764 10.924 0.401 1.00 0.00 O ATOM 1440 CG2 THR A 245 13.091 10.670 2.780 1.00 0.00 C ATOM 0 H THR A 245 11.211 9.182 -0.405 1.00 0.00 H new ATOM 0 HA THR A 245 13.246 8.397 1.304 1.00 0.00 H new ATOM 0 HB THR A 245 11.222 10.626 1.748 1.00 0.00 H new ATOM 0 HG1 THR A 245 12.078 10.929 -0.299 1.00 0.00 H new ATOM 0 HG21 THR A 245 13.092 11.754 2.896 1.00 0.00 H new ATOM 0 HG22 THR A 245 12.676 10.209 3.677 1.00 0.00 H new ATOM 0 HG23 THR A 245 14.113 10.320 2.632 1.00 0.00 H new ATOM 1448 N SER A 246 10.220 8.152 2.607 1.00 0.00 N ATOM 1449 CA SER A 246 9.455 7.575 3.706 1.00 0.00 C ATOM 1450 C SER A 246 9.567 6.053 3.705 1.00 0.00 C ATOM 1451 O SER A 246 9.545 5.416 4.759 1.00 0.00 O ATOM 1452 CB SER A 246 7.986 7.990 3.606 1.00 0.00 C ATOM 1453 OG SER A 246 7.200 7.321 4.578 1.00 0.00 O ATOM 0 H SER A 246 9.651 8.573 1.873 1.00 0.00 H new ATOM 0 HA SER A 246 9.868 7.952 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 246 7.899 9.068 3.743 1.00 0.00 H new ATOM 0 HB3 SER A 246 7.608 7.764 2.609 1.00 0.00 H new ATOM 0 HG SER A 246 6.266 7.604 4.495 1.00 0.00 H new ATOM 1459 N LEU A 247 9.686 5.476 2.514 1.00 0.00 N ATOM 1460 CA LEU A 247 9.801 4.028 2.374 1.00 0.00 C ATOM 1461 C LEU A 247 10.580 3.428 3.540 1.00 0.00 C ATOM 1462 O LEU A 247 11.624 3.947 3.936 1.00 0.00 O ATOM 1463 CB LEU A 247 10.488 3.677 1.053 1.00 0.00 C ATOM 1464 CG LEU A 247 10.503 2.195 0.677 1.00 0.00 C ATOM 1465 CD1 LEU A 247 10.757 2.025 -0.813 1.00 0.00 C ATOM 1466 CD2 LEU A 247 11.552 1.450 1.488 1.00 0.00 C ATOM 0 H LEU A 247 9.705 5.988 1.632 1.00 0.00 H new ATOM 0 HA LEU A 247 8.796 3.606 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 247 9.996 4.229 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 247 11.518 4.030 1.097 1.00 0.00 H new ATOM 0 HG LEU A 247 9.526 1.771 0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 247 10.764 0.964 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 247 9.968 2.524 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 247 11.721 2.465 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 247 11.549 0.397 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 247 12.536 1.875 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 247 11.325 1.543 2.550 1.00 0.00 H new ATOM 1478 N LYS A 248 10.066 2.331 4.085 1.00 0.00 N ATOM 1479 CA LYS A 248 10.714 1.657 5.204 1.00 0.00 C ATOM 1480 C LYS A 248 10.875 0.166 4.922 1.00 0.00 C ATOM 1481 O LYS A 248 9.929 -0.500 4.503 1.00 0.00 O ATOM 1482 CB LYS A 248 9.904 1.860 6.487 1.00 0.00 C ATOM 1483 CG LYS A 248 10.728 1.717 7.755 1.00 0.00 C ATOM 1484 CD LYS A 248 10.888 0.259 8.154 1.00 0.00 C ATOM 1485 CE LYS A 248 11.331 0.124 9.603 1.00 0.00 C ATOM 1486 NZ LYS A 248 12.802 0.299 9.752 1.00 0.00 N ATOM 0 H LYS A 248 9.202 1.889 3.770 1.00 0.00 H new ATOM 0 HA LYS A 248 11.704 2.093 5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 248 9.451 2.851 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 248 9.088 1.137 6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 248 11.711 2.164 7.604 1.00 0.00 H new ATOM 0 HG3 LYS A 248 10.249 2.267 8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 248 9.943 -0.264 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 248 11.619 -0.220 7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 248 10.814 0.866 10.211 1.00 0.00 H new ATOM 0 HE3 LYS A 248 11.042 -0.856 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 13.064 0.200 10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 13.296 -0.424 9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 13.075 1.244 9.415 1.00 0.00 H new ATOM 1500 N GLU A 249 12.077 -0.349 5.156 1.00 0.00 N ATOM 1501 CA GLU A 249 12.360 -1.762 4.927 1.00 0.00 C ATOM 1502 C GLU A 249 12.452 -2.519 6.249 1.00 0.00 C ATOM 1503 O GLU A 249 12.994 -2.011 7.231 1.00 0.00 O ATOM 1504 CB GLU A 249 13.663 -1.923 4.142 1.00 0.00 C ATOM 1505 CG GLU A 249 13.509 -1.678 2.650 1.00 0.00 C ATOM 1506 CD GLU A 249 14.809 -1.262 1.990 1.00 0.00 C ATOM 1507 OE1 GLU A 249 15.156 -0.065 2.065 1.00 0.00 O ATOM 1508 OE2 GLU A 249 15.480 -2.134 1.399 1.00 0.00 O ATOM 0 H GLU A 249 12.870 0.190 5.504 1.00 0.00 H new ATOM 0 HA GLU A 249 11.540 -2.181 4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 249 14.405 -1.231 4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 249 14.049 -2.930 4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 249 13.138 -2.585 2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 249 12.760 -0.903 2.488 1.00 0.00 H new ATOM 1515 N ILE A 250 11.919 -3.736 6.265 1.00 0.00 N ATOM 1516 CA ILE A 250 11.942 -4.564 7.465 1.00 0.00 C ATOM 1517 C ILE A 250 12.312 -6.005 7.131 1.00 0.00 C ATOM 1518 O ILE A 250 12.394 -6.381 5.963 1.00 0.00 O ATOM 1519 CB ILE A 250 10.581 -4.549 8.185 1.00 0.00 C ATOM 1520 CG1 ILE A 250 9.504 -5.179 7.299 1.00 0.00 C ATOM 1521 CG2 ILE A 250 10.197 -3.126 8.563 1.00 0.00 C ATOM 1522 CD1 ILE A 250 8.194 -5.416 8.017 1.00 0.00 C ATOM 0 H ILE A 250 11.466 -4.171 5.461 1.00 0.00 H new ATOM 0 HA ILE A 250 12.698 -4.141 8.126 1.00 0.00 H new ATOM 0 HB ILE A 250 10.664 -5.137 9.099 1.00 0.00 H new ATOM 0 HG12 ILE A 250 9.327 -4.531 6.440 1.00 0.00 H new ATOM 0 HG13 ILE A 250 9.873 -6.128 6.911 1.00 0.00 H new ATOM 0 HG21 ILE A 250 9.233 -3.132 9.071 1.00 0.00 H new ATOM 0 HG22 ILE A 250 10.954 -2.709 9.227 1.00 0.00 H new ATOM 0 HG23 ILE A 250 10.129 -2.516 7.662 1.00 0.00 H new ATOM 0 HD11 ILE A 250 7.478 -5.864 7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 250 8.357 -6.088 8.859 1.00 0.00 H new ATOM 0 HD13 ILE A 250 7.802 -4.466 8.381 1.00 0.00 H new