USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 532 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 160 MET CE :methyl 180:sc= -1 (180deg=-0.984) USER MOD Set 1.2: A 193 ASN : amide:sc= -2.8! C(o=-3.8!,f=-12!) USER MOD Set 2.1: A 172 TYR OH : rot 151:sc= 0.949 USER MOD Set 2.2: A 215 ASN : amide:sc= 0.906 X(o=1.9,f=1.6) USER MOD Single : A 150 SER OG : rot 33:sc= 0.234 USER MOD Single : A 151 SER OG : rot 95:sc= 1.28 USER MOD Single : A 153 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 165 HIS : no HD1:sc= 0.243 K(o=0.24,f=-6.8!) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 174 THR OG1 : rot -75:sc= 1.21 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0.0982 USER MOD Single : A 177 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 178 TYR OH : rot 180:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 SER OG : rot 5:sc= 1.13 USER MOD Single : A 183 GLN :FLIP amide:sc= -0.0191 F(o=-0.58,f=-0.019) USER MOD Single : A 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 199 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 MET CE :methyl 146:sc= -3.12! (180deg=-5.09!) USER MOD Single : A 202 MET CE :methyl -163:sc= -0.111 (180deg=-0.55) USER MOD Single : A 203 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 208 LYS NZ :NH3+ 137:sc= 1.25 (180deg=0.32) USER MOD Single : A 213 SER OG : rot 82:sc= 0.477 USER MOD Single : A 214 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 216 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 145 N SER A 150 5.497 -7.526 0.699 1.00 0.00 N ATOM 146 CA SER A 150 4.671 -6.463 1.163 1.00 0.00 C ATOM 147 C SER A 150 5.422 -5.147 0.967 1.00 0.00 C ATOM 148 O SER A 150 6.640 -5.157 0.693 1.00 0.00 O ATOM 149 CB SER A 150 4.348 -6.690 2.631 1.00 0.00 C ATOM 150 OG SER A 150 3.844 -8.018 2.840 1.00 0.00 O ATOM 0 HA SER A 150 3.735 -6.425 0.606 1.00 0.00 H new ATOM 0 HB2 SER A 150 5.243 -6.536 3.233 1.00 0.00 H new ATOM 0 HB3 SER A 150 3.611 -5.959 2.964 1.00 0.00 H new ATOM 0 HG SER A 150 4.269 -8.633 2.206 1.00 0.00 H new ATOM 156 N SER A 151 4.736 -4.048 1.143 1.00 0.00 N ATOM 157 CA SER A 151 5.286 -2.724 0.916 1.00 0.00 C ATOM 158 C SER A 151 6.513 -2.474 1.793 1.00 0.00 C ATOM 159 O SER A 151 7.563 -2.023 1.310 1.00 0.00 O ATOM 160 CB SER A 151 4.220 -1.712 1.237 1.00 0.00 C ATOM 161 OG SER A 151 2.995 -2.093 0.646 1.00 0.00 O ATOM 0 H SER A 151 3.764 -4.040 1.453 1.00 0.00 H new ATOM 0 HA SER A 151 5.600 -2.640 -0.124 1.00 0.00 H new ATOM 0 HB2 SER A 151 4.101 -1.628 2.317 1.00 0.00 H new ATOM 0 HB3 SER A 151 4.519 -0.729 0.872 1.00 0.00 H new ATOM 0 HG SER A 151 2.460 -2.595 1.296 1.00 0.00 H new ATOM 167 N ALA A 152 6.391 -2.825 3.066 1.00 0.00 N ATOM 168 CA ALA A 152 7.441 -2.629 4.035 1.00 0.00 C ATOM 169 C ALA A 152 8.672 -3.432 3.670 1.00 0.00 C ATOM 170 O ALA A 152 9.776 -2.962 3.832 1.00 0.00 O ATOM 171 CB ALA A 152 6.957 -2.996 5.430 1.00 0.00 C ATOM 0 H ALA A 152 5.551 -3.257 3.450 1.00 0.00 H new ATOM 0 HA ALA A 152 7.712 -1.573 4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 152 7.763 -2.842 6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 152 6.108 -2.367 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 152 6.653 -4.043 5.446 1.00 0.00 H new ATOM 177 N GLN A 153 8.465 -4.624 3.119 1.00 0.00 N ATOM 178 CA GLN A 153 9.565 -5.505 2.731 1.00 0.00 C ATOM 179 C GLN A 153 10.358 -4.898 1.582 1.00 0.00 C ATOM 180 O GLN A 153 11.596 -4.916 1.586 1.00 0.00 O ATOM 181 CB GLN A 153 9.046 -6.879 2.322 1.00 0.00 C ATOM 182 CG GLN A 153 10.155 -7.841 1.919 1.00 0.00 C ATOM 183 CD GLN A 153 9.664 -9.184 1.458 1.00 0.00 C ATOM 184 OE1 GLN A 153 8.548 -9.616 1.953 1.00 0.00 O flip ATOM 185 NE2 GLN A 153 10.311 -9.831 0.640 1.00 0.00 N flip ATOM 0 H GLN A 153 7.538 -5.006 2.929 1.00 0.00 H new ATOM 0 HA GLN A 153 10.218 -5.619 3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 153 8.483 -7.309 3.150 1.00 0.00 H new ATOM 0 HB3 GLN A 153 8.352 -6.765 1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 153 10.743 -7.387 1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 153 10.825 -7.982 2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 153 11.186 -9.458 0.272 1.00 0.00 H new ATOM 0 HE22 GLN A 153 9.974 -10.742 0.328 1.00 0.00 H new ATOM 194 N LEU A 154 9.636 -4.360 0.610 1.00 0.00 N ATOM 195 CA LEU A 154 10.243 -3.732 -0.554 1.00 0.00 C ATOM 196 C LEU A 154 11.011 -2.499 -0.128 1.00 0.00 C ATOM 197 O LEU A 154 12.191 -2.356 -0.413 1.00 0.00 O ATOM 198 CB LEU A 154 9.161 -3.332 -1.571 1.00 0.00 C ATOM 199 CG LEU A 154 8.326 -4.466 -2.165 1.00 0.00 C ATOM 200 CD1 LEU A 154 7.272 -3.905 -3.102 1.00 0.00 C ATOM 201 CD2 LEU A 154 9.212 -5.464 -2.896 1.00 0.00 C ATOM 0 H LEU A 154 8.616 -4.346 0.606 1.00 0.00 H new ATOM 0 HA LEU A 154 10.923 -4.445 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 154 8.484 -2.627 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 154 9.644 -2.800 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 154 7.827 -4.990 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 154 6.684 -4.722 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 154 6.617 -3.231 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 154 7.758 -3.358 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 154 8.596 -6.262 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 154 9.741 -4.958 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 154 9.934 -5.888 -2.199 1.00 0.00 H new ATOM 213 N LEU A 155 10.343 -1.657 0.623 1.00 0.00 N ATOM 214 CA LEU A 155 10.887 -0.387 1.058 1.00 0.00 C ATOM 215 C LEU A 155 12.085 -0.600 2.028 1.00 0.00 C ATOM 216 O LEU A 155 13.037 0.185 2.049 1.00 0.00 O ATOM 217 CB LEU A 155 9.736 0.435 1.684 1.00 0.00 C ATOM 218 CG LEU A 155 9.932 1.915 1.914 1.00 0.00 C ATOM 219 CD1 LEU A 155 10.331 2.600 0.630 1.00 0.00 C ATOM 220 CD2 LEU A 155 8.625 2.494 2.386 1.00 0.00 C ATOM 0 H LEU A 155 9.395 -1.834 0.955 1.00 0.00 H new ATOM 0 HA LEU A 155 11.292 0.172 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 155 8.861 0.315 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 155 9.494 -0.018 2.645 1.00 0.00 H new ATOM 0 HG LEU A 155 10.718 2.066 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 155 10.468 3.666 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 155 11.264 2.172 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 155 9.549 2.458 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 155 8.742 3.564 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 155 7.860 2.331 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 155 8.325 2.007 3.314 1.00 0.00 H new ATOM 232 N GLU A 156 12.053 -1.694 2.777 1.00 0.00 N ATOM 233 CA GLU A 156 13.123 -2.039 3.712 1.00 0.00 C ATOM 234 C GLU A 156 14.376 -2.489 2.976 1.00 0.00 C ATOM 235 O GLU A 156 15.495 -2.225 3.426 1.00 0.00 O ATOM 236 CB GLU A 156 12.657 -3.127 4.661 1.00 0.00 C ATOM 237 CG GLU A 156 13.658 -3.535 5.724 1.00 0.00 C ATOM 238 CD GLU A 156 13.077 -4.521 6.687 1.00 0.00 C ATOM 239 OE1 GLU A 156 13.150 -5.742 6.439 1.00 0.00 O ATOM 240 OE2 GLU A 156 12.500 -4.095 7.707 1.00 0.00 O1- ATOM 0 H GLU A 156 11.288 -2.368 2.756 1.00 0.00 H new ATOM 0 HA GLU A 156 13.371 -1.145 4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 156 11.746 -2.789 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 156 12.395 -4.008 4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.538 -3.968 5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 156 13.992 -2.651 6.267 1.00 0.00 H new ATOM 247 N ASP A 157 14.184 -3.131 1.825 1.00 0.00 N ATOM 248 CA ASP A 157 15.301 -3.651 1.020 1.00 0.00 C ATOM 249 C ASP A 157 16.171 -2.523 0.527 1.00 0.00 C ATOM 250 O ASP A 157 17.385 -2.666 0.379 1.00 0.00 O ATOM 251 CB ASP A 157 14.786 -4.470 -0.172 1.00 0.00 C ATOM 252 CG ASP A 157 15.907 -5.005 -1.053 1.00 0.00 C ATOM 253 OD1 ASP A 157 16.668 -5.888 -0.605 1.00 0.00 O ATOM 254 OD2 ASP A 157 16.022 -4.594 -2.222 1.00 0.00 O1- ATOM 0 H ASP A 157 13.263 -3.307 1.423 1.00 0.00 H new ATOM 0 HA ASP A 157 15.895 -4.304 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 157 14.191 -5.305 0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 157 14.123 -3.848 -0.774 1.00 0.00 H new ATOM 259 N TRP A 158 15.560 -1.379 0.349 1.00 0.00 N ATOM 260 CA TRP A 158 16.271 -0.227 -0.163 1.00 0.00 C ATOM 261 C TRP A 158 16.822 0.619 0.987 1.00 0.00 C ATOM 262 O TRP A 158 17.522 1.617 0.774 1.00 0.00 O ATOM 263 CB TRP A 158 15.356 0.611 -1.056 1.00 0.00 C ATOM 264 CG TRP A 158 14.650 -0.197 -2.104 1.00 0.00 C ATOM 265 CD1 TRP A 158 15.178 -1.183 -2.889 1.00 0.00 C ATOM 266 CD2 TRP A 158 13.281 -0.077 -2.488 1.00 0.00 C ATOM 267 NE1 TRP A 158 14.213 -1.693 -3.719 1.00 0.00 N ATOM 268 CE2 TRP A 158 13.042 -1.032 -3.493 1.00 0.00 C ATOM 269 CE3 TRP A 158 12.233 0.739 -2.072 1.00 0.00 C ATOM 270 CZ2 TRP A 158 11.798 -1.187 -4.088 1.00 0.00 C ATOM 271 CZ3 TRP A 158 11.000 0.585 -2.665 1.00 0.00 C ATOM 272 CH2 TRP A 158 10.793 -0.374 -3.661 1.00 0.00 C ATOM 0 H TRP A 158 14.573 -1.217 0.550 1.00 0.00 H new ATOM 0 HA TRP A 158 17.111 -0.578 -0.763 1.00 0.00 H new ATOM 0 HB2 TRP A 158 14.615 1.115 -0.435 1.00 0.00 H new ATOM 0 HB3 TRP A 158 15.946 1.388 -1.542 1.00 0.00 H new ATOM 0 HD1 TRP A 158 16.206 -1.513 -2.860 1.00 0.00 H new ATOM 0 HE1 TRP A 158 14.349 -2.444 -4.395 1.00 0.00 H new ATOM 0 HE3 TRP A 158 12.384 1.478 -1.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 158 11.633 -1.924 -4.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 158 10.179 1.215 -2.356 1.00 0.00 H new ATOM 0 HH2 TRP A 158 9.812 -0.472 -4.102 1.00 0.00 H new ATOM 283 N GLY A 159 16.526 0.193 2.205 1.00 0.00 N ATOM 284 CA GLY A 159 16.977 0.904 3.382 1.00 0.00 C ATOM 285 C GLY A 159 16.137 2.123 3.668 1.00 0.00 C ATOM 286 O GLY A 159 16.655 3.156 4.076 1.00 0.00 O ATOM 0 H GLY A 159 15.975 -0.643 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 159 16.948 0.235 4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 159 18.016 1.204 3.247 1.00 0.00 H new ATOM 290 N MET A 160 14.841 2.003 3.454 1.00 0.00 N ATOM 291 CA MET A 160 13.934 3.117 3.643 1.00 0.00 C ATOM 292 C MET A 160 12.929 2.764 4.754 1.00 0.00 C ATOM 293 O MET A 160 13.030 1.684 5.352 1.00 0.00 O ATOM 294 CB MET A 160 13.201 3.406 2.332 1.00 0.00 C ATOM 295 CG MET A 160 14.092 3.540 1.096 1.00 0.00 C ATOM 296 SD MET A 160 15.382 4.807 1.204 1.00 0.00 S ATOM 297 CE MET A 160 14.407 6.292 1.319 1.00 0.00 C ATOM 0 H MET A 160 14.391 1.140 3.148 1.00 0.00 H new ATOM 0 HA MET A 160 14.491 4.007 3.935 1.00 0.00 H new ATOM 0 HB2 MET A 160 12.481 2.607 2.155 1.00 0.00 H new ATOM 0 HB3 MET A 160 12.632 4.328 2.450 1.00 0.00 H new ATOM 0 HG2 MET A 160 14.566 2.578 0.905 1.00 0.00 H new ATOM 0 HG3 MET A 160 13.460 3.761 0.236 1.00 0.00 H new ATOM 0 HE1 MET A 160 15.067 7.156 1.392 1.00 0.00 H new ATOM 0 HE2 MET A 160 13.782 6.387 0.431 1.00 0.00 H new ATOM 0 HE3 MET A 160 13.774 6.244 2.205 1.00 0.00 H new ATOM 307 N GLU A 161 11.959 3.639 5.014 1.00 0.00 N ATOM 308 CA GLU A 161 10.982 3.432 6.113 1.00 0.00 C ATOM 309 C GLU A 161 9.549 3.510 5.600 1.00 0.00 C ATOM 310 O GLU A 161 9.234 4.376 4.789 1.00 0.00 O ATOM 311 CB GLU A 161 11.113 4.526 7.159 1.00 0.00 C ATOM 312 CG GLU A 161 12.463 4.679 7.811 1.00 0.00 C ATOM 313 CD GLU A 161 12.443 5.842 8.751 1.00 0.00 C ATOM 314 OE1 GLU A 161 12.410 6.986 8.287 1.00 0.00 O1- ATOM 315 OE2 GLU A 161 12.378 5.648 9.975 1.00 0.00 O ATOM 0 H GLU A 161 11.818 4.501 4.487 1.00 0.00 H new ATOM 0 HA GLU A 161 11.194 2.448 6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 161 10.850 5.476 6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 161 10.376 4.340 7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 161 12.722 3.768 8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 161 13.230 4.828 7.050 1.00 0.00 H new ATOM 322 N ASP A 162 8.682 2.659 6.103 1.00 0.00 N ATOM 323 CA ASP A 162 7.268 2.692 5.725 1.00 0.00 C ATOM 324 C ASP A 162 6.492 3.428 6.823 1.00 0.00 C ATOM 325 O ASP A 162 7.054 3.732 7.890 1.00 0.00 O ATOM 326 CB ASP A 162 6.713 1.247 5.492 1.00 0.00 C ATOM 327 CG ASP A 162 5.257 1.191 4.985 1.00 0.00 C ATOM 328 OD1 ASP A 162 4.746 2.193 4.437 1.00 0.00 O ATOM 329 OD2 ASP A 162 4.603 0.132 5.113 1.00 0.00 O1- ATOM 0 H ASP A 162 8.922 1.931 6.776 1.00 0.00 H new ATOM 0 HA ASP A 162 7.148 3.224 4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 162 7.354 0.738 4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 162 6.780 0.691 6.427 1.00 0.00 H new ATOM 334 N ILE A 163 5.251 3.732 6.567 1.00 0.00 N ATOM 335 CA ILE A 163 4.412 4.442 7.509 1.00 0.00 C ATOM 336 C ILE A 163 3.808 3.400 8.464 1.00 0.00 C ATOM 337 O ILE A 163 3.609 2.241 8.086 1.00 0.00 O ATOM 338 CB ILE A 163 3.220 5.159 6.772 1.00 0.00 C ATOM 339 CG1 ILE A 163 3.703 6.005 5.588 1.00 0.00 C ATOM 340 CG2 ILE A 163 2.405 6.053 7.734 1.00 0.00 C ATOM 341 CD1 ILE A 163 4.530 7.200 5.978 1.00 0.00 C ATOM 0 H ILE A 163 4.783 3.495 5.692 1.00 0.00 H new ATOM 0 HA ILE A 163 5.010 5.189 8.031 1.00 0.00 H new ATOM 0 HB ILE A 163 2.577 4.363 6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 163 4.290 5.374 4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.836 6.347 5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 163 1.592 6.530 7.187 1.00 0.00 H new ATOM 0 HG22 ILE A 163 1.993 5.442 8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 163 3.055 6.819 8.158 1.00 0.00 H new ATOM 0 HD11 ILE A 163 4.830 7.743 5.082 1.00 0.00 H new ATOM 0 HD12 ILE A 163 3.942 7.856 6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 163 5.418 6.868 6.516 1.00 0.00 H new ATOM 353 N ASP A 164 3.497 3.807 9.669 1.00 0.00 N ATOM 354 CA ASP A 164 2.829 2.933 10.645 1.00 0.00 C ATOM 355 C ASP A 164 1.322 3.031 10.494 1.00 0.00 C ATOM 356 O ASP A 164 0.569 2.641 11.389 1.00 0.00 O ATOM 357 CB ASP A 164 3.211 3.292 12.091 1.00 0.00 C ATOM 358 CG ASP A 164 4.577 2.813 12.508 1.00 0.00 C ATOM 359 OD1 ASP A 164 5.570 3.539 12.310 1.00 0.00 O ATOM 360 OD2 ASP A 164 4.674 1.719 13.098 1.00 0.00 O1- ATOM 0 H ASP A 164 3.692 4.746 10.016 1.00 0.00 H new ATOM 0 HA ASP A 164 3.160 1.914 10.443 1.00 0.00 H new ATOM 0 HB2 ASP A 164 3.167 4.375 12.208 1.00 0.00 H new ATOM 0 HB3 ASP A 164 2.468 2.868 12.767 1.00 0.00 H new ATOM 365 N HIS A 165 0.884 3.518 9.351 1.00 0.00 N ATOM 366 CA HIS A 165 -0.519 3.717 9.101 1.00 0.00 C ATOM 367 C HIS A 165 -1.117 2.395 8.670 1.00 0.00 C ATOM 368 O HIS A 165 -0.482 1.623 7.945 1.00 0.00 O ATOM 369 CB HIS A 165 -0.754 4.863 8.042 1.00 0.00 C ATOM 370 CG HIS A 165 -0.787 4.493 6.556 1.00 0.00 C ATOM 371 ND1 HIS A 165 0.222 4.782 5.662 1.00 0.00 N ATOM 372 CD2 HIS A 165 -1.765 3.908 5.818 1.00 0.00 C ATOM 373 CE1 HIS A 165 -0.165 4.383 4.452 1.00 0.00 C ATOM 374 NE2 HIS A 165 -1.358 3.847 4.491 1.00 0.00 N ATOM 0 H HIS A 165 1.491 3.784 8.576 1.00 0.00 H new ATOM 0 HA HIS A 165 -1.020 4.049 10.010 1.00 0.00 H new ATOM 0 HB2 HIS A 165 -1.700 5.348 8.283 1.00 0.00 H new ATOM 0 HB3 HIS A 165 0.030 5.607 8.180 1.00 0.00 H new ATOM 0 HD2 HIS A 165 -2.708 3.548 6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 165 0.428 4.488 3.556 1.00 0.00 H new ATOM 0 HE2 HIS A 165 -1.883 3.462 3.706 1.00 0.00 H new ATOM 382 N VAL A 166 -2.282 2.116 9.132 1.00 0.00 N ATOM 383 CA VAL A 166 -2.953 0.892 8.795 1.00 0.00 C ATOM 384 C VAL A 166 -4.264 1.255 8.180 1.00 0.00 C ATOM 385 O VAL A 166 -5.026 2.032 8.778 1.00 0.00 O ATOM 386 CB VAL A 166 -3.189 -0.021 10.043 1.00 0.00 C ATOM 387 CG1 VAL A 166 -3.873 -1.329 9.655 1.00 0.00 C ATOM 388 CG2 VAL A 166 -1.878 -0.308 10.767 1.00 0.00 C ATOM 0 H VAL A 166 -2.808 2.726 9.758 1.00 0.00 H new ATOM 0 HA VAL A 166 -2.329 0.323 8.106 1.00 0.00 H new ATOM 0 HB VAL A 166 -3.849 0.521 10.720 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -4.022 -1.940 10.545 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -4.838 -1.113 9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -3.248 -1.870 8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -2.071 -0.945 11.630 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -1.191 -0.815 10.089 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -1.433 0.630 11.100 1.00 0.00 H new ATOM 398 N PHE A 167 -4.517 0.740 6.987 1.00 0.00 N ATOM 399 CA PHE A 167 -5.752 1.006 6.296 1.00 0.00 C ATOM 400 C PHE A 167 -6.898 0.562 7.164 1.00 0.00 C ATOM 401 O PHE A 167 -7.051 -0.621 7.477 1.00 0.00 O ATOM 402 CB PHE A 167 -5.811 0.311 4.925 1.00 0.00 C ATOM 403 CG PHE A 167 -4.734 0.744 3.965 1.00 0.00 C ATOM 404 CD1 PHE A 167 -4.661 2.054 3.530 1.00 0.00 C ATOM 405 CD2 PHE A 167 -3.791 -0.163 3.508 1.00 0.00 C ATOM 406 CE1 PHE A 167 -3.672 2.454 2.658 1.00 0.00 C ATOM 407 CE2 PHE A 167 -2.796 0.230 2.639 1.00 0.00 C ATOM 408 CZ PHE A 167 -2.735 1.539 2.214 1.00 0.00 C ATOM 0 H PHE A 167 -3.873 0.132 6.481 1.00 0.00 H new ATOM 0 HA PHE A 167 -5.818 2.077 6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 167 -5.738 -0.766 5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 167 -6.784 0.505 4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 167 -5.388 2.773 3.878 1.00 0.00 H new ATOM 0 HD2 PHE A 167 -3.836 -1.191 3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 167 -3.629 3.480 2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 167 -2.066 -0.486 2.292 1.00 0.00 H new ATOM 0 HZ PHE A 167 -1.956 1.850 1.534 1.00 0.00 H new ATOM 418 N SER A 168 -7.643 1.505 7.611 1.00 0.00 N ATOM 419 CA SER A 168 -8.729 1.248 8.480 1.00 0.00 C ATOM 420 C SER A 168 -9.992 1.086 7.649 1.00 0.00 C ATOM 421 O SER A 168 -9.951 1.223 6.418 1.00 0.00 O ATOM 422 CB SER A 168 -8.834 2.392 9.473 1.00 0.00 C ATOM 423 OG SER A 168 -7.569 2.591 10.119 1.00 0.00 O ATOM 0 H SER A 168 -7.513 2.490 7.380 1.00 0.00 H new ATOM 0 HA SER A 168 -8.582 0.327 9.044 1.00 0.00 H new ATOM 0 HB2 SER A 168 -9.138 3.304 8.960 1.00 0.00 H new ATOM 0 HB3 SER A 168 -9.601 2.172 10.215 1.00 0.00 H new ATOM 0 HG SER A 168 -7.641 3.331 10.758 1.00 0.00 H new ATOM 429 N GLU A 169 -11.099 0.815 8.289 1.00 0.00 N ATOM 430 CA GLU A 169 -12.342 0.569 7.589 1.00 0.00 C ATOM 431 C GLU A 169 -12.802 1.782 6.798 1.00 0.00 C ATOM 432 O GLU A 169 -13.287 1.640 5.689 1.00 0.00 O ATOM 433 CB GLU A 169 -13.392 0.037 8.548 1.00 0.00 C ATOM 434 CG GLU A 169 -12.989 -1.318 9.117 1.00 0.00 C ATOM 435 CD GLU A 169 -13.901 -1.807 10.199 1.00 0.00 C ATOM 436 OE1 GLU A 169 -15.064 -2.121 9.917 1.00 0.00 O1- ATOM 437 OE2 GLU A 169 -13.463 -1.875 11.362 1.00 0.00 O ATOM 0 H GLU A 169 -11.170 0.758 9.305 1.00 0.00 H new ATOM 0 HA GLU A 169 -12.172 -0.207 6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -13.536 0.747 9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -14.347 -0.053 8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -12.970 -2.051 8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -11.975 -1.251 9.511 1.00 0.00 H new ATOM 444 N GLU A 170 -12.579 2.966 7.339 1.00 0.00 N ATOM 445 CA GLU A 170 -12.891 4.211 6.648 1.00 0.00 C ATOM 446 C GLU A 170 -12.039 4.327 5.358 1.00 0.00 C ATOM 447 O GLU A 170 -12.532 4.771 4.313 1.00 0.00 O ATOM 448 CB GLU A 170 -12.636 5.397 7.591 1.00 0.00 C ATOM 449 CG GLU A 170 -12.973 6.777 7.033 1.00 0.00 C ATOM 450 CD GLU A 170 -14.409 6.905 6.581 1.00 0.00 C ATOM 451 OE1 GLU A 170 -15.325 6.579 7.348 1.00 0.00 O ATOM 452 OE2 GLU A 170 -14.646 7.354 5.446 1.00 0.00 O1- ATOM 0 H GLU A 170 -12.177 3.095 8.268 1.00 0.00 H new ATOM 0 HA GLU A 170 -13.942 4.219 6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -13.215 5.243 8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -11.584 5.389 7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -12.771 7.529 7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -12.314 6.992 6.192 1.00 0.00 H new ATOM 459 N ASP A 171 -10.784 3.870 5.432 1.00 0.00 N ATOM 460 CA ASP A 171 -9.872 3.876 4.270 1.00 0.00 C ATOM 461 C ASP A 171 -10.384 2.917 3.231 1.00 0.00 C ATOM 462 O ASP A 171 -10.497 3.260 2.055 1.00 0.00 O ATOM 463 CB ASP A 171 -8.431 3.450 4.644 1.00 0.00 C ATOM 464 CG ASP A 171 -7.723 4.387 5.583 1.00 0.00 C ATOM 465 OD1 ASP A 171 -7.096 5.343 5.121 1.00 0.00 O1- ATOM 466 OD2 ASP A 171 -7.784 4.176 6.817 1.00 0.00 O ATOM 0 H ASP A 171 -10.371 3.490 6.284 1.00 0.00 H new ATOM 0 HA ASP A 171 -9.842 4.899 3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -8.466 2.460 5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -7.844 3.361 3.730 1.00 0.00 H new ATOM 471 N TYR A 172 -10.751 1.723 3.690 1.00 0.00 N ATOM 472 CA TYR A 172 -11.247 0.658 2.817 1.00 0.00 C ATOM 473 C TYR A 172 -12.499 1.068 2.024 1.00 0.00 C ATOM 474 O TYR A 172 -12.731 0.583 0.923 1.00 0.00 O ATOM 475 CB TYR A 172 -11.505 -0.652 3.591 1.00 0.00 C ATOM 476 CG TYR A 172 -10.258 -1.369 4.122 1.00 0.00 C ATOM 477 CD1 TYR A 172 -9.196 -1.689 3.287 1.00 0.00 C ATOM 478 CD2 TYR A 172 -10.160 -1.744 5.452 1.00 0.00 C ATOM 479 CE1 TYR A 172 -8.082 -2.358 3.759 1.00 0.00 C ATOM 480 CE2 TYR A 172 -9.053 -2.415 5.931 1.00 0.00 C ATOM 481 CZ TYR A 172 -8.016 -2.718 5.082 1.00 0.00 C ATOM 482 OH TYR A 172 -6.910 -3.399 5.564 1.00 0.00 O ATOM 0 H TYR A 172 -10.714 1.465 4.676 1.00 0.00 H new ATOM 0 HA TYR A 172 -10.450 0.478 2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -12.161 -0.431 4.433 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -12.045 -1.338 2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -9.241 -1.409 2.245 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -10.967 -1.506 6.129 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -7.268 -2.596 3.090 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -9.002 -2.701 6.971 1.00 0.00 H new ATOM 0 HH TYR A 172 -6.777 -3.179 6.510 1.00 0.00 H new ATOM 492 N ARG A 173 -13.306 1.955 2.583 1.00 0.00 N ATOM 493 CA ARG A 173 -14.531 2.388 1.902 1.00 0.00 C ATOM 494 C ARG A 173 -14.245 3.504 0.905 1.00 0.00 C ATOM 495 O ARG A 173 -14.982 3.698 -0.056 1.00 0.00 O ATOM 496 CB ARG A 173 -15.528 2.956 2.884 1.00 0.00 C ATOM 497 CG ARG A 173 -15.770 2.151 4.121 1.00 0.00 C ATOM 498 CD ARG A 173 -16.811 2.821 4.989 1.00 0.00 C ATOM 499 NE ARG A 173 -16.581 4.276 5.123 1.00 0.00 N ATOM 500 CZ ARG A 173 -17.505 5.226 4.870 1.00 0.00 C ATOM 501 NH1 ARG A 173 -18.744 4.900 4.506 1.00 0.00 N1+ ATOM 502 NH2 ARG A 173 -17.176 6.487 4.976 1.00 0.00 N ATOM 0 H ARG A 173 -13.145 2.388 3.492 1.00 0.00 H new ATOM 0 HA ARG A 173 -14.925 1.504 1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -15.188 3.948 3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -16.480 3.087 2.369 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -16.102 1.149 3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -14.840 2.039 4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -17.800 2.650 4.564 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -16.806 2.362 5.978 1.00 0.00 H new ATOM 0 HE ARG A 173 -15.658 4.583 5.429 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -19.007 3.919 4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -19.430 5.632 4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -16.228 6.745 5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -17.868 7.212 4.787 1.00 0.00 H new ATOM 516 N THR A 174 -13.203 4.252 1.146 1.00 0.00 N ATOM 517 CA THR A 174 -12.957 5.437 0.363 1.00 0.00 C ATOM 518 C THR A 174 -11.936 5.224 -0.762 1.00 0.00 C ATOM 519 O THR A 174 -12.061 5.811 -1.855 1.00 0.00 O ATOM 520 CB THR A 174 -12.546 6.615 1.277 1.00 0.00 C ATOM 521 OG1 THR A 174 -11.524 6.182 2.195 1.00 0.00 O ATOM 522 CG2 THR A 174 -13.740 7.136 2.066 1.00 0.00 C ATOM 0 H THR A 174 -12.513 4.066 1.874 1.00 0.00 H new ATOM 0 HA THR A 174 -13.896 5.683 -0.132 1.00 0.00 H new ATOM 0 HB THR A 174 -12.166 7.419 0.647 1.00 0.00 H new ATOM 0 HG1 THR A 174 -11.928 5.631 2.898 1.00 0.00 H new ATOM 0 HG21 THR A 174 -13.424 7.964 2.701 1.00 0.00 H new ATOM 0 HG22 THR A 174 -14.510 7.482 1.376 1.00 0.00 H new ATOM 0 HG23 THR A 174 -14.143 6.336 2.687 1.00 0.00 H new ATOM 530 N LEU A 175 -10.972 4.367 -0.539 1.00 0.00 N ATOM 531 CA LEU A 175 -9.897 4.166 -1.506 1.00 0.00 C ATOM 532 C LEU A 175 -10.167 2.942 -2.359 1.00 0.00 C ATOM 533 O LEU A 175 -9.283 2.172 -2.665 1.00 0.00 O ATOM 534 CB LEU A 175 -8.561 4.060 -0.783 1.00 0.00 C ATOM 535 CG LEU A 175 -8.209 5.220 0.158 1.00 0.00 C ATOM 536 CD1 LEU A 175 -6.890 4.952 0.862 1.00 0.00 C ATOM 537 CD2 LEU A 175 -8.164 6.546 -0.597 1.00 0.00 C ATOM 0 H LEU A 175 -10.900 3.792 0.301 1.00 0.00 H new ATOM 0 HA LEU A 175 -9.854 5.026 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 175 -8.556 3.136 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 175 -7.772 3.973 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 175 -8.992 5.295 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 175 -6.656 5.785 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 175 -6.969 4.035 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 175 -6.098 4.844 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 175 -7.912 7.350 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 175 -7.409 6.493 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 175 -9.138 6.743 -1.044 1.00 0.00 H new ATOM 549 N THR A 176 -11.360 2.885 -2.839 1.00 0.00 N ATOM 550 CA THR A 176 -11.889 1.758 -3.591 1.00 0.00 C ATOM 551 C THR A 176 -11.433 1.716 -5.072 1.00 0.00 C ATOM 552 O THR A 176 -11.986 0.961 -5.886 1.00 0.00 O ATOM 553 CB THR A 176 -13.412 1.799 -3.498 1.00 0.00 C ATOM 554 OG1 THR A 176 -13.851 3.163 -3.672 1.00 0.00 O ATOM 555 CG2 THR A 176 -13.868 1.298 -2.150 1.00 0.00 C ATOM 0 H THR A 176 -12.034 3.642 -2.724 1.00 0.00 H new ATOM 0 HA THR A 176 -11.489 0.846 -3.147 1.00 0.00 H new ATOM 0 HB THR A 176 -13.838 1.161 -4.273 1.00 0.00 H new ATOM 0 HG1 THR A 176 -14.829 3.202 -3.616 1.00 0.00 H new ATOM 0 HG21 THR A 176 -14.956 1.333 -2.098 1.00 0.00 H new ATOM 0 HG22 THR A 176 -13.531 0.271 -2.010 1.00 0.00 H new ATOM 0 HG23 THR A 176 -13.447 1.928 -1.366 1.00 0.00 H new ATOM 563 N ASN A 177 -10.434 2.503 -5.401 1.00 0.00 N ATOM 564 CA ASN A 177 -9.848 2.557 -6.737 1.00 0.00 C ATOM 565 C ASN A 177 -8.401 2.862 -6.565 1.00 0.00 C ATOM 566 O ASN A 177 -8.064 3.669 -5.699 1.00 0.00 O ATOM 567 CB ASN A 177 -10.469 3.660 -7.626 1.00 0.00 C ATOM 568 CG ASN A 177 -11.911 3.419 -8.023 1.00 0.00 C ATOM 569 OD1 ASN A 177 -12.186 2.741 -9.011 1.00 0.00 O ATOM 570 ND2 ASN A 177 -12.830 3.994 -7.300 1.00 0.00 N ATOM 0 H ASN A 177 -9.991 3.140 -4.739 1.00 0.00 H new ATOM 0 HA ASN A 177 -10.031 1.603 -7.231 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -10.407 4.611 -7.097 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -9.869 3.758 -8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -13.814 3.889 -7.548 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -12.566 4.550 -6.486 1.00 0.00 H new ATOM 577 N TYR A 178 -7.534 2.248 -7.378 1.00 0.00 N ATOM 578 CA TYR A 178 -6.088 2.465 -7.273 1.00 0.00 C ATOM 579 C TYR A 178 -5.740 3.942 -7.446 1.00 0.00 C ATOM 580 O TYR A 178 -4.844 4.441 -6.788 1.00 0.00 O ATOM 581 CB TYR A 178 -5.289 1.576 -8.259 1.00 0.00 C ATOM 582 CG TYR A 178 -3.769 1.756 -8.182 1.00 0.00 C ATOM 583 CD1 TYR A 178 -3.019 1.144 -7.178 1.00 0.00 C ATOM 584 CD2 TYR A 178 -3.091 2.544 -9.109 1.00 0.00 C ATOM 585 CE1 TYR A 178 -1.645 1.314 -7.103 1.00 0.00 C ATOM 586 CE2 TYR A 178 -1.719 2.717 -9.040 1.00 0.00 C ATOM 587 CZ TYR A 178 -1.001 2.102 -8.034 1.00 0.00 C ATOM 588 OH TYR A 178 0.367 2.271 -7.964 1.00 0.00 O ATOM 0 H TYR A 178 -7.809 1.598 -8.115 1.00 0.00 H new ATOM 0 HA TYR A 178 -5.791 2.165 -6.268 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -5.530 0.531 -8.064 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -5.618 1.795 -9.275 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -3.518 0.526 -6.446 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -3.647 3.030 -9.897 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -1.081 0.831 -6.319 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -1.213 3.331 -9.770 1.00 0.00 H new ATOM 0 HH TYR A 178 0.662 2.854 -8.694 1.00 0.00 H new ATOM 598 N LYS A 179 -6.468 4.648 -8.305 1.00 0.00 N ATOM 599 CA LYS A 179 -6.238 6.080 -8.470 1.00 0.00 C ATOM 600 C LYS A 179 -6.529 6.870 -7.200 1.00 0.00 C ATOM 601 O LYS A 179 -5.648 7.579 -6.711 1.00 0.00 O ATOM 602 CB LYS A 179 -6.966 6.655 -9.668 1.00 0.00 C ATOM 603 CG LYS A 179 -6.369 6.204 -10.989 1.00 0.00 C ATOM 604 CD LYS A 179 -6.972 6.938 -12.160 1.00 0.00 C ATOM 605 CE LYS A 179 -8.430 6.594 -12.339 1.00 0.00 C ATOM 606 NZ LYS A 179 -9.053 7.363 -13.428 1.00 0.00 N1+ ATOM 0 H LYS A 179 -7.210 4.261 -8.889 1.00 0.00 H new ATOM 0 HA LYS A 179 -5.172 6.187 -8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -8.014 6.358 -9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -6.941 7.743 -9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -5.291 6.367 -10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -6.528 5.133 -11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -6.867 8.012 -12.010 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -6.424 6.688 -13.068 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -8.527 5.528 -12.547 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -8.964 6.787 -11.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -10.054 7.094 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -8.985 8.379 -13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -8.561 7.160 -14.322 1.00 0.00 H new ATOM 620 N ALA A 180 -7.727 6.708 -6.630 1.00 0.00 N ATOM 621 CA ALA A 180 -8.086 7.390 -5.370 1.00 0.00 C ATOM 622 C ALA A 180 -7.122 6.982 -4.265 1.00 0.00 C ATOM 623 O ALA A 180 -6.733 7.788 -3.418 1.00 0.00 O ATOM 624 CB ALA A 180 -9.514 7.048 -4.955 1.00 0.00 C ATOM 0 H ALA A 180 -8.464 6.116 -7.013 1.00 0.00 H new ATOM 0 HA ALA A 180 -8.019 8.466 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 180 -9.755 7.562 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 180 -10.206 7.366 -5.735 1.00 0.00 H new ATOM 0 HB3 ALA A 180 -9.602 5.972 -4.808 1.00 0.00 H new ATOM 630 N PHE A 181 -6.735 5.727 -4.309 1.00 0.00 N ATOM 631 CA PHE A 181 -5.801 5.147 -3.387 1.00 0.00 C ATOM 632 C PHE A 181 -4.451 5.843 -3.503 1.00 0.00 C ATOM 633 O PHE A 181 -3.907 6.322 -2.507 1.00 0.00 O ATOM 634 CB PHE A 181 -5.670 3.666 -3.715 1.00 0.00 C ATOM 635 CG PHE A 181 -4.774 2.891 -2.831 1.00 0.00 C ATOM 636 CD1 PHE A 181 -5.233 2.426 -1.624 1.00 0.00 C ATOM 637 CD2 PHE A 181 -3.481 2.597 -3.219 1.00 0.00 C ATOM 638 CE1 PHE A 181 -4.426 1.689 -0.815 1.00 0.00 C ATOM 639 CE2 PHE A 181 -2.666 1.861 -2.407 1.00 0.00 C ATOM 640 CZ PHE A 181 -3.147 1.404 -1.201 1.00 0.00 C ATOM 0 H PHE A 181 -7.075 5.068 -5.009 1.00 0.00 H new ATOM 0 HA PHE A 181 -6.153 5.269 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 181 -6.662 3.216 -3.681 1.00 0.00 H new ATOM 0 HB3 PHE A 181 -5.311 3.570 -4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 181 -6.244 2.647 -1.314 1.00 0.00 H new ATOM 0 HD2 PHE A 181 -3.112 2.951 -4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 181 -4.796 1.329 0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 181 -1.653 1.639 -2.709 1.00 0.00 H new ATOM 0 HZ PHE A 181 -2.510 0.817 -0.556 1.00 0.00 H new ATOM 650 N SER A 182 -3.939 5.936 -4.725 1.00 0.00 N ATOM 651 CA SER A 182 -2.665 6.558 -4.977 1.00 0.00 C ATOM 652 C SER A 182 -2.639 8.021 -4.542 1.00 0.00 C ATOM 653 O SER A 182 -1.654 8.474 -4.034 1.00 0.00 O ATOM 654 CB SER A 182 -2.208 6.363 -6.449 1.00 0.00 C ATOM 655 OG SER A 182 -3.166 6.845 -7.397 1.00 0.00 O ATOM 0 H SER A 182 -4.402 5.580 -5.561 1.00 0.00 H new ATOM 0 HA SER A 182 -1.932 6.046 -4.354 1.00 0.00 H new ATOM 0 HB2 SER A 182 -1.261 6.880 -6.602 1.00 0.00 H new ATOM 0 HB3 SER A 182 -2.026 5.304 -6.630 1.00 0.00 H new ATOM 0 HG SER A 182 -3.900 7.289 -6.923 1.00 0.00 H new ATOM 661 N GLN A 183 -3.767 8.721 -4.662 1.00 0.00 N ATOM 662 CA GLN A 183 -3.846 10.136 -4.262 1.00 0.00 C ATOM 663 C GLN A 183 -3.548 10.304 -2.771 1.00 0.00 C ATOM 664 O GLN A 183 -2.980 11.314 -2.343 1.00 0.00 O ATOM 665 CB GLN A 183 -5.226 10.717 -4.580 1.00 0.00 C ATOM 666 CG GLN A 183 -5.624 10.626 -6.046 1.00 0.00 C ATOM 667 CD GLN A 183 -4.699 11.381 -6.988 1.00 0.00 C ATOM 668 OE1 GLN A 183 -4.169 12.499 -6.552 1.00 0.00 O flip ATOM 669 NE2 GLN A 183 -4.508 10.974 -8.133 1.00 0.00 N flip ATOM 0 H GLN A 183 -4.638 8.338 -5.031 1.00 0.00 H new ATOM 0 HA GLN A 183 -3.093 10.680 -4.833 1.00 0.00 H new ATOM 0 HB2 GLN A 183 -5.973 10.197 -3.980 1.00 0.00 H new ATOM 0 HB3 GLN A 183 -5.245 11.763 -4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 183 -5.648 9.577 -6.341 1.00 0.00 H new ATOM 0 HG3 GLN A 183 -6.637 11.012 -6.161 1.00 0.00 H new ATOM 0 HE21 GLN A 183 -4.935 10.100 -8.442 1.00 0.00 H new ATOM 0 HE22 GLN A 183 -3.923 11.510 -8.774 1.00 0.00 H new ATOM 678 N PHE A 184 -3.900 9.304 -2.003 1.00 0.00 N ATOM 679 CA PHE A 184 -3.663 9.309 -0.582 1.00 0.00 C ATOM 680 C PHE A 184 -2.273 8.750 -0.268 1.00 0.00 C ATOM 681 O PHE A 184 -1.461 9.398 0.372 1.00 0.00 O ATOM 682 CB PHE A 184 -4.748 8.473 0.128 1.00 0.00 C ATOM 683 CG PHE A 184 -4.526 8.302 1.609 1.00 0.00 C ATOM 684 CD1 PHE A 184 -4.762 9.342 2.484 1.00 0.00 C ATOM 685 CD2 PHE A 184 -4.057 7.097 2.117 1.00 0.00 C ATOM 686 CE1 PHE A 184 -4.541 9.188 3.836 1.00 0.00 C ATOM 687 CE2 PHE A 184 -3.834 6.940 3.464 1.00 0.00 C ATOM 688 CZ PHE A 184 -4.076 7.986 4.323 1.00 0.00 C ATOM 0 H PHE A 184 -4.360 8.461 -2.347 1.00 0.00 H new ATOM 0 HA PHE A 184 -3.708 10.336 -0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 184 -5.717 8.946 -0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 184 -4.794 7.488 -0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 184 -5.124 10.287 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 184 -3.865 6.273 1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 184 -4.732 10.008 4.512 1.00 0.00 H new ATOM 0 HE2 PHE A 184 -3.470 5.998 3.847 1.00 0.00 H new ATOM 0 HZ PHE A 184 -3.901 7.865 5.382 1.00 0.00 H new ATOM 698 N VAL A 185 -2.016 7.573 -0.771 1.00 0.00 N ATOM 699 CA VAL A 185 -0.812 6.815 -0.454 1.00 0.00 C ATOM 700 C VAL A 185 0.487 7.449 -1.020 1.00 0.00 C ATOM 701 O VAL A 185 1.548 7.371 -0.382 1.00 0.00 O ATOM 702 CB VAL A 185 -0.987 5.338 -0.921 1.00 0.00 C ATOM 703 CG1 VAL A 185 0.233 4.497 -0.626 1.00 0.00 C ATOM 704 CG2 VAL A 185 -2.200 4.728 -0.243 1.00 0.00 C ATOM 0 H VAL A 185 -2.639 7.097 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 185 -0.687 6.838 0.629 1.00 0.00 H new ATOM 0 HB VAL A 185 -1.125 5.351 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 185 0.063 3.477 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 185 1.097 4.915 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 185 0.420 4.492 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -2.320 3.696 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -2.063 4.751 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -3.090 5.298 -0.508 1.00 0.00 H new ATOM 714 N ARG A 186 0.381 8.111 -2.170 1.00 0.00 N ATOM 715 CA ARG A 186 1.540 8.734 -2.836 1.00 0.00 C ATOM 716 C ARG A 186 2.289 9.741 -1.908 1.00 0.00 C ATOM 717 O ARG A 186 3.455 9.515 -1.595 1.00 0.00 O ATOM 718 CB ARG A 186 1.074 9.428 -4.148 1.00 0.00 C ATOM 719 CG ARG A 186 2.070 10.340 -4.798 1.00 0.00 C ATOM 720 CD ARG A 186 3.095 9.550 -5.551 1.00 0.00 C ATOM 721 NE ARG A 186 2.451 8.895 -6.696 1.00 0.00 N ATOM 722 CZ ARG A 186 3.014 8.066 -7.561 1.00 0.00 C ATOM 723 NH1 ARG A 186 4.309 7.797 -7.502 1.00 0.00 N1+ ATOM 724 NH2 ARG A 186 2.275 7.541 -8.526 1.00 0.00 N ATOM 0 H ARG A 186 -0.500 8.234 -2.669 1.00 0.00 H new ATOM 0 HA ARG A 186 2.254 7.946 -3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 186 0.796 8.656 -4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 186 0.173 10.002 -3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 186 1.558 11.022 -5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 186 2.559 10.952 -4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 186 3.896 10.204 -5.894 1.00 0.00 H new ATOM 0 HD3 ARG A 186 3.549 8.805 -4.898 1.00 0.00 H new ATOM 0 HE ARG A 186 1.463 9.101 -6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 186 4.888 8.231 -6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 186 4.728 7.156 -8.176 1.00 0.00 H new ATOM 0 HH21 ARG A 186 1.285 7.777 -8.596 1.00 0.00 H new ATOM 0 HH22 ARG A 186 2.696 6.901 -9.199 1.00 0.00 H new ATOM 738 N PRO A 187 1.630 10.843 -1.421 1.00 0.00 N ATOM 739 CA PRO A 187 2.281 11.797 -0.526 1.00 0.00 C ATOM 740 C PRO A 187 2.631 11.182 0.813 1.00 0.00 C ATOM 741 O PRO A 187 3.599 11.578 1.433 1.00 0.00 O ATOM 742 CB PRO A 187 1.250 12.923 -0.352 1.00 0.00 C ATOM 743 CG PRO A 187 -0.048 12.323 -0.756 1.00 0.00 C ATOM 744 CD PRO A 187 0.280 11.299 -1.796 1.00 0.00 C ATOM 0 HA PRO A 187 3.228 12.146 -0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 187 1.219 13.273 0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 187 1.497 13.784 -0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 187 -0.550 11.866 0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 187 -0.722 13.082 -1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 187 -0.437 10.478 -1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 187 0.266 11.727 -2.798 1.00 0.00 H new ATOM 752 N LEU A 188 1.856 10.185 1.222 1.00 0.00 N ATOM 753 CA LEU A 188 2.057 9.505 2.492 1.00 0.00 C ATOM 754 C LEU A 188 3.437 8.875 2.588 1.00 0.00 C ATOM 755 O LEU A 188 4.233 9.235 3.457 1.00 0.00 O ATOM 756 CB LEU A 188 0.964 8.440 2.723 1.00 0.00 C ATOM 757 CG LEU A 188 -0.122 8.761 3.764 1.00 0.00 C ATOM 758 CD1 LEU A 188 0.479 8.821 5.155 1.00 0.00 C ATOM 759 CD2 LEU A 188 -0.835 10.069 3.439 1.00 0.00 C ATOM 0 H LEU A 188 1.070 9.826 0.680 1.00 0.00 H new ATOM 0 HA LEU A 188 1.984 10.260 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 188 0.472 8.249 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 188 1.454 7.513 3.021 1.00 0.00 H new ATOM 0 HG LEU A 188 -0.860 7.960 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -0.303 9.049 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.930 7.859 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.242 9.598 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -1.596 10.266 4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -0.112 10.885 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -1.307 9.992 2.460 1.00 0.00 H new ATOM 771 N ILE A 189 3.748 7.993 1.667 1.00 0.00 N ATOM 772 CA ILE A 189 5.001 7.268 1.740 1.00 0.00 C ATOM 773 C ILE A 189 6.157 8.142 1.252 1.00 0.00 C ATOM 774 O ILE A 189 7.291 8.031 1.743 1.00 0.00 O ATOM 775 CB ILE A 189 4.973 5.977 0.899 1.00 0.00 C ATOM 776 CG1 ILE A 189 3.660 5.228 1.102 1.00 0.00 C ATOM 777 CG2 ILE A 189 6.141 5.076 1.309 1.00 0.00 C ATOM 778 CD1 ILE A 189 3.523 4.018 0.216 1.00 0.00 C ATOM 0 H ILE A 189 3.161 7.760 0.866 1.00 0.00 H new ATOM 0 HA ILE A 189 5.146 7.000 2.787 1.00 0.00 H new ATOM 0 HB ILE A 189 5.062 6.246 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 189 3.584 4.918 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 189 2.829 5.907 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 189 6.122 4.163 0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 189 7.082 5.600 1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 189 6.052 4.823 2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 189 2.567 3.531 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 189 3.568 4.325 -0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 189 4.335 3.321 0.424 1.00 0.00 H new ATOM 790 N ALA A 190 5.876 9.030 0.316 1.00 0.00 N ATOM 791 CA ALA A 190 6.912 9.890 -0.237 1.00 0.00 C ATOM 792 C ALA A 190 7.353 10.955 0.758 1.00 0.00 C ATOM 793 O ALA A 190 8.440 11.503 0.644 1.00 0.00 O ATOM 794 CB ALA A 190 6.483 10.509 -1.553 1.00 0.00 C ATOM 0 H ALA A 190 4.946 9.176 -0.077 1.00 0.00 H new ATOM 0 HA ALA A 190 7.776 9.257 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 190 7.283 11.144 -1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 190 6.271 9.720 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 190 5.586 11.109 -1.398 1.00 0.00 H new ATOM 800 N ALA A 191 6.502 11.265 1.714 1.00 0.00 N ATOM 801 CA ALA A 191 6.858 12.201 2.767 1.00 0.00 C ATOM 802 C ALA A 191 7.757 11.520 3.780 1.00 0.00 C ATOM 803 O ALA A 191 8.530 12.166 4.477 1.00 0.00 O ATOM 804 CB ALA A 191 5.618 12.747 3.449 1.00 0.00 C ATOM 0 H ALA A 191 5.559 10.884 1.786 1.00 0.00 H new ATOM 0 HA ALA A 191 7.394 13.038 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 191 5.911 13.445 4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 191 4.998 13.264 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 191 5.053 11.925 3.888 1.00 0.00 H new ATOM 810 N LYS A 192 7.657 10.205 3.849 1.00 0.00 N ATOM 811 CA LYS A 192 8.452 9.441 4.774 1.00 0.00 C ATOM 812 C LYS A 192 9.789 9.145 4.126 1.00 0.00 C ATOM 813 O LYS A 192 10.803 8.987 4.801 1.00 0.00 O ATOM 814 CB LYS A 192 7.747 8.133 5.089 1.00 0.00 C ATOM 815 CG LYS A 192 8.215 7.440 6.358 1.00 0.00 C ATOM 816 CD LYS A 192 7.835 8.266 7.579 1.00 0.00 C ATOM 817 CE LYS A 192 8.080 7.518 8.869 1.00 0.00 C ATOM 818 NZ LYS A 192 9.511 7.224 9.092 1.00 0.00 N1+ ATOM 0 H LYS A 192 7.028 9.648 3.270 1.00 0.00 H new ATOM 0 HA LYS A 192 8.595 10.003 5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 192 6.677 8.325 5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 192 7.885 7.452 4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 192 7.766 6.449 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 192 9.295 7.299 6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 192 8.409 9.192 7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 192 6.783 8.544 7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 192 7.699 8.106 9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 192 7.519 6.584 8.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 192 9.624 6.711 9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 192 9.871 6.640 8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 192 10.046 8.115 9.133 1.00 0.00 H new ATOM 832 N ASN A 193 9.777 9.072 2.807 1.00 0.00 N ATOM 833 CA ASN A 193 10.976 8.785 2.039 1.00 0.00 C ATOM 834 C ASN A 193 11.112 9.783 0.908 1.00 0.00 C ATOM 835 O ASN A 193 10.749 9.486 -0.225 1.00 0.00 O ATOM 836 CB ASN A 193 10.961 7.353 1.449 1.00 0.00 C ATOM 837 CG ASN A 193 10.625 6.300 2.463 1.00 0.00 C ATOM 838 OD1 ASN A 193 11.488 5.810 3.183 1.00 0.00 O ATOM 839 ND2 ASN A 193 9.376 5.897 2.495 1.00 0.00 N ATOM 0 H ASN A 193 8.940 9.209 2.240 1.00 0.00 H new ATOM 0 HA ASN A 193 11.824 8.862 2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 193 10.236 7.310 0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 193 11.938 7.134 1.018 1.00 0.00 H new ATOM 0 HD21 ASN A 193 9.096 5.153 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 193 8.685 6.328 1.881 1.00 0.00 H new ATOM 846 N PRO A 194 11.567 11.008 1.193 1.00 0.00 N ATOM 847 CA PRO A 194 11.735 12.038 0.166 1.00 0.00 C ATOM 848 C PRO A 194 12.829 11.686 -0.835 1.00 0.00 C ATOM 849 O PRO A 194 12.718 11.989 -2.023 1.00 0.00 O ATOM 850 CB PRO A 194 12.127 13.290 0.965 1.00 0.00 C ATOM 851 CG PRO A 194 11.706 12.991 2.364 1.00 0.00 C ATOM 852 CD PRO A 194 11.894 11.524 2.531 1.00 0.00 C ATOM 0 HA PRO A 194 10.831 12.164 -0.429 1.00 0.00 H new ATOM 0 HB2 PRO A 194 13.199 13.479 0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 194 11.625 14.178 0.581 1.00 0.00 H new ATOM 0 HG2 PRO A 194 12.308 13.548 3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 194 10.667 13.275 2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 194 12.914 11.276 2.824 1.00 0.00 H new ATOM 0 HD3 PRO A 194 11.235 11.115 3.296 1.00 0.00 H new ATOM 860 N LYS A 195 13.852 10.985 -0.368 1.00 0.00 N ATOM 861 CA LYS A 195 15.006 10.665 -1.200 1.00 0.00 C ATOM 862 C LYS A 195 14.799 9.342 -1.933 1.00 0.00 C ATOM 863 O LYS A 195 15.745 8.772 -2.472 1.00 0.00 O ATOM 864 CB LYS A 195 16.294 10.571 -0.359 1.00 0.00 C ATOM 865 CG LYS A 195 16.543 11.743 0.591 1.00 0.00 C ATOM 866 CD LYS A 195 17.955 11.710 1.204 1.00 0.00 C ATOM 867 CE LYS A 195 18.307 10.371 1.875 1.00 0.00 C ATOM 868 NZ LYS A 195 17.411 10.011 3.007 1.00 0.00 N1+ ATOM 0 H LYS A 195 13.908 10.626 0.585 1.00 0.00 H new ATOM 0 HA LYS A 195 15.110 11.472 -1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 195 16.260 9.652 0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 195 17.144 10.487 -1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 195 16.406 12.680 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 195 15.802 11.723 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 195 18.686 11.918 0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 195 18.040 12.509 1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 195 18.267 9.579 1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 195 19.334 10.416 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 195 17.708 9.099 3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 195 17.465 10.746 3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 195 16.432 9.936 2.664 1.00 0.00 H new ATOM 882 N ILE A 196 13.578 8.858 -1.973 1.00 0.00 N ATOM 883 CA ILE A 196 13.318 7.598 -2.625 1.00 0.00 C ATOM 884 C ILE A 196 13.219 7.828 -4.139 1.00 0.00 C ATOM 885 O ILE A 196 12.955 8.957 -4.589 1.00 0.00 O ATOM 886 CB ILE A 196 11.994 6.940 -2.117 1.00 0.00 C ATOM 887 CG1 ILE A 196 12.024 5.428 -2.405 1.00 0.00 C ATOM 888 CG2 ILE A 196 10.760 7.607 -2.750 1.00 0.00 C ATOM 889 CD1 ILE A 196 10.731 4.695 -2.145 1.00 0.00 C ATOM 0 H ILE A 196 12.760 9.312 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 196 14.139 6.921 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 196 11.919 7.089 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 196 12.303 5.279 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 196 12.808 4.975 -1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 196 9.855 7.127 -2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 196 10.744 8.665 -2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 196 10.806 7.502 -3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 196 10.859 3.638 -2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 196 10.456 4.804 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 196 9.943 5.113 -2.772 1.00 0.00 H new ATOM 901 N ALA A 197 13.462 6.806 -4.912 1.00 0.00 N ATOM 902 CA ALA A 197 13.280 6.890 -6.336 1.00 0.00 C ATOM 903 C ALA A 197 11.801 6.709 -6.646 1.00 0.00 C ATOM 904 O ALA A 197 11.140 5.855 -6.039 1.00 0.00 O ATOM 905 CB ALA A 197 14.108 5.836 -7.041 1.00 0.00 C ATOM 0 H ALA A 197 13.789 5.899 -4.578 1.00 0.00 H new ATOM 0 HA ALA A 197 13.613 7.864 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 197 13.957 5.915 -8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 197 15.162 5.987 -6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 197 13.801 4.846 -6.703 1.00 0.00 H new ATOM 911 N VAL A 198 11.286 7.501 -7.575 1.00 0.00 N ATOM 912 CA VAL A 198 9.859 7.475 -7.941 1.00 0.00 C ATOM 913 C VAL A 198 9.439 6.087 -8.440 1.00 0.00 C ATOM 914 O VAL A 198 8.350 5.603 -8.120 1.00 0.00 O ATOM 915 CB VAL A 198 9.522 8.555 -9.008 1.00 0.00 C ATOM 916 CG1 VAL A 198 8.042 8.525 -9.387 1.00 0.00 C ATOM 917 CG2 VAL A 198 9.902 9.940 -8.503 1.00 0.00 C ATOM 0 H VAL A 198 11.835 8.181 -8.101 1.00 0.00 H new ATOM 0 HA VAL A 198 9.293 7.703 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 198 10.105 8.328 -9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 198 7.842 9.293 -10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 198 7.791 7.546 -9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 198 7.436 8.715 -8.501 1.00 0.00 H new ATOM 0 HG21 VAL A 198 9.659 10.683 -9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 198 9.348 10.159 -7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 198 10.971 9.970 -8.294 1.00 0.00 H new ATOM 927 N SER A 199 10.331 5.446 -9.157 1.00 0.00 N ATOM 928 CA SER A 199 10.137 4.118 -9.696 1.00 0.00 C ATOM 929 C SER A 199 9.890 3.109 -8.564 1.00 0.00 C ATOM 930 O SER A 199 8.993 2.266 -8.631 1.00 0.00 O ATOM 931 CB SER A 199 11.405 3.773 -10.458 1.00 0.00 C ATOM 932 OG SER A 199 12.538 4.180 -9.683 1.00 0.00 O ATOM 0 H SER A 199 11.240 5.845 -9.389 1.00 0.00 H new ATOM 0 HA SER A 199 9.266 4.081 -10.351 1.00 0.00 H new ATOM 0 HB2 SER A 199 11.447 2.701 -10.653 1.00 0.00 H new ATOM 0 HB3 SER A 199 11.411 4.274 -11.426 1.00 0.00 H new ATOM 0 HG SER A 199 13.361 3.960 -10.167 1.00 0.00 H new ATOM 938 N LYS A 200 10.671 3.247 -7.510 1.00 0.00 N ATOM 939 CA LYS A 200 10.586 2.380 -6.355 1.00 0.00 C ATOM 940 C LYS A 200 9.324 2.683 -5.579 1.00 0.00 C ATOM 941 O LYS A 200 8.668 1.784 -5.071 1.00 0.00 O ATOM 942 CB LYS A 200 11.826 2.552 -5.479 1.00 0.00 C ATOM 943 CG LYS A 200 13.124 2.236 -6.203 1.00 0.00 C ATOM 944 CD LYS A 200 13.199 0.780 -6.626 1.00 0.00 C ATOM 945 CE LYS A 200 14.445 0.505 -7.439 1.00 0.00 C ATOM 946 NZ LYS A 200 14.560 -0.919 -7.796 1.00 0.00 N1+ ATOM 0 H LYS A 200 11.387 3.970 -7.432 1.00 0.00 H new ATOM 0 HA LYS A 200 10.545 1.341 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 200 11.863 3.578 -5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 200 11.738 1.905 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 200 13.213 2.874 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 200 13.968 2.469 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 200 13.191 0.142 -5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 200 12.316 0.524 -7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 200 14.427 1.107 -8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 200 15.324 0.810 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 15.426 -1.069 -8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 14.602 -1.492 -6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 13.733 -1.204 -8.359 1.00 0.00 H new ATOM 960 N MET A 201 8.974 3.955 -5.534 1.00 0.00 N ATOM 961 CA MET A 201 7.756 4.412 -4.882 1.00 0.00 C ATOM 962 C MET A 201 6.524 3.783 -5.541 1.00 0.00 C ATOM 963 O MET A 201 5.613 3.337 -4.856 1.00 0.00 O ATOM 964 CB MET A 201 7.693 5.949 -4.894 1.00 0.00 C ATOM 965 CG MET A 201 6.410 6.564 -4.329 1.00 0.00 C ATOM 966 SD MET A 201 5.999 6.012 -2.653 1.00 0.00 S ATOM 967 CE MET A 201 7.487 6.393 -1.757 1.00 0.00 C ATOM 0 H MET A 201 9.527 4.705 -5.949 1.00 0.00 H new ATOM 0 HA MET A 201 7.765 4.089 -3.841 1.00 0.00 H new ATOM 0 HB2 MET A 201 8.540 6.334 -4.325 1.00 0.00 H new ATOM 0 HB3 MET A 201 7.817 6.292 -5.921 1.00 0.00 H new ATOM 0 HG2 MET A 201 6.510 7.649 -4.328 1.00 0.00 H new ATOM 0 HG3 MET A 201 5.581 6.321 -4.993 1.00 0.00 H new ATOM 0 HE1 MET A 201 7.233 6.688 -0.739 1.00 0.00 H new ATOM 0 HE2 MET A 201 8.131 5.514 -1.730 1.00 0.00 H new ATOM 0 HE3 MET A 201 8.010 7.211 -2.252 1.00 0.00 H new ATOM 977 N MET A 202 6.541 3.690 -6.873 1.00 0.00 N ATOM 978 CA MET A 202 5.448 3.058 -7.631 1.00 0.00 C ATOM 979 C MET A 202 5.237 1.617 -7.181 1.00 0.00 C ATOM 980 O MET A 202 4.102 1.144 -7.071 1.00 0.00 O ATOM 981 CB MET A 202 5.742 3.079 -9.133 1.00 0.00 C ATOM 982 CG MET A 202 5.847 4.466 -9.735 1.00 0.00 C ATOM 983 SD MET A 202 4.324 5.426 -9.579 1.00 0.00 S ATOM 984 CE MET A 202 3.162 4.395 -10.492 1.00 0.00 C ATOM 0 H MET A 202 7.301 4.044 -7.454 1.00 0.00 H new ATOM 0 HA MET A 202 4.541 3.630 -7.436 1.00 0.00 H new ATOM 0 HB2 MET A 202 6.676 2.546 -9.315 1.00 0.00 H new ATOM 0 HB3 MET A 202 4.956 2.530 -9.652 1.00 0.00 H new ATOM 0 HG2 MET A 202 6.660 5.005 -9.249 1.00 0.00 H new ATOM 0 HG3 MET A 202 6.108 4.379 -10.790 1.00 0.00 H new ATOM 0 HE1 MET A 202 2.277 4.979 -10.743 1.00 0.00 H new ATOM 0 HE2 MET A 202 3.634 4.039 -11.408 1.00 0.00 H new ATOM 0 HE3 MET A 202 2.872 3.542 -9.878 1.00 0.00 H new ATOM 994 N MET A 203 6.337 0.940 -6.893 1.00 0.00 N ATOM 995 CA MET A 203 6.296 -0.446 -6.445 1.00 0.00 C ATOM 996 C MET A 203 5.633 -0.551 -5.085 1.00 0.00 C ATOM 997 O MET A 203 4.882 -1.494 -4.819 1.00 0.00 O ATOM 998 CB MET A 203 7.701 -1.050 -6.381 1.00 0.00 C ATOM 999 CG MET A 203 8.411 -1.122 -7.715 1.00 0.00 C ATOM 1000 SD MET A 203 7.505 -2.105 -8.923 1.00 0.00 S ATOM 1001 CE MET A 203 8.636 -2.039 -10.303 1.00 0.00 C ATOM 0 H MET A 203 7.277 1.330 -6.962 1.00 0.00 H new ATOM 0 HA MET A 203 5.710 -1.008 -7.172 1.00 0.00 H new ATOM 0 HB2 MET A 203 8.306 -0.460 -5.692 1.00 0.00 H new ATOM 0 HB3 MET A 203 7.633 -2.055 -5.965 1.00 0.00 H new ATOM 0 HG2 MET A 203 8.552 -0.113 -8.103 1.00 0.00 H new ATOM 0 HG3 MET A 203 9.403 -1.550 -7.573 1.00 0.00 H new ATOM 0 HE1 MET A 203 8.223 -2.602 -11.140 1.00 0.00 H new ATOM 0 HE2 MET A 203 8.785 -1.001 -10.602 1.00 0.00 H new ATOM 0 HE3 MET A 203 9.592 -2.473 -10.011 1.00 0.00 H new ATOM 1011 N VAL A 204 5.884 0.440 -4.238 1.00 0.00 N ATOM 1012 CA VAL A 204 5.323 0.455 -2.909 1.00 0.00 C ATOM 1013 C VAL A 204 3.809 0.636 -2.980 1.00 0.00 C ATOM 1014 O VAL A 204 3.080 -0.118 -2.362 1.00 0.00 O ATOM 1015 CB VAL A 204 5.932 1.547 -2.003 1.00 0.00 C ATOM 1016 CG1 VAL A 204 5.466 1.345 -0.580 1.00 0.00 C ATOM 1017 CG2 VAL A 204 7.443 1.534 -2.060 1.00 0.00 C ATOM 0 H VAL A 204 6.475 1.242 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 204 5.569 -0.507 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 204 5.593 2.518 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 204 5.897 2.117 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 204 4.379 1.408 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 204 5.786 0.364 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 204 7.838 2.315 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.811 0.564 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 204 7.770 1.714 -3.084 1.00 0.00 H new ATOM 1027 N LEU A 205 3.340 1.620 -3.761 1.00 0.00 N ATOM 1028 CA LEU A 205 1.901 1.824 -3.955 1.00 0.00 C ATOM 1029 C LEU A 205 1.228 0.586 -4.526 1.00 0.00 C ATOM 1030 O LEU A 205 0.085 0.273 -4.184 1.00 0.00 O ATOM 1031 CB LEU A 205 1.588 3.037 -4.832 1.00 0.00 C ATOM 1032 CG LEU A 205 1.689 4.407 -4.162 1.00 0.00 C ATOM 1033 CD1 LEU A 205 3.103 4.830 -3.901 1.00 0.00 C ATOM 1034 CD2 LEU A 205 0.947 5.439 -4.946 1.00 0.00 C ATOM 0 H LEU A 205 3.932 2.281 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 205 1.495 2.019 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 205 2.265 3.024 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 205 0.578 2.923 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 205 1.217 4.312 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 205 3.107 5.810 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 205 3.584 4.105 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 205 3.647 4.883 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 205 1.034 6.405 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 205 1.369 5.507 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 205 -0.104 5.159 -5.013 1.00 0.00 H new ATOM 1046 N GLY A 206 1.957 -0.127 -5.369 1.00 0.00 N ATOM 1047 CA GLY A 206 1.452 -1.353 -5.951 1.00 0.00 C ATOM 1048 C GLY A 206 1.236 -2.426 -4.896 1.00 0.00 C ATOM 1049 O GLY A 206 0.192 -3.111 -4.882 1.00 0.00 O ATOM 0 H GLY A 206 2.900 0.125 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 206 0.512 -1.152 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 206 2.154 -1.716 -6.702 1.00 0.00 H new ATOM 1053 N ALA A 207 2.206 -2.561 -4.006 1.00 0.00 N ATOM 1054 CA ALA A 207 2.137 -3.521 -2.916 1.00 0.00 C ATOM 1055 C ALA A 207 1.133 -3.066 -1.859 1.00 0.00 C ATOM 1056 O ALA A 207 0.434 -3.891 -1.264 1.00 0.00 O ATOM 1057 CB ALA A 207 3.511 -3.744 -2.308 1.00 0.00 C ATOM 0 H ALA A 207 3.063 -2.008 -4.019 1.00 0.00 H new ATOM 0 HA ALA A 207 1.791 -4.473 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 207 3.436 -4.466 -1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 207 4.189 -4.126 -3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 207 3.895 -2.800 -1.921 1.00 0.00 H new ATOM 1063 N LYS A 208 1.058 -1.758 -1.626 1.00 0.00 N ATOM 1064 CA LYS A 208 0.069 -1.182 -0.719 1.00 0.00 C ATOM 1065 C LYS A 208 -1.336 -1.491 -1.199 1.00 0.00 C ATOM 1066 O LYS A 208 -2.185 -1.879 -0.407 1.00 0.00 O ATOM 1067 CB LYS A 208 0.256 0.340 -0.548 1.00 0.00 C ATOM 1068 CG LYS A 208 1.395 0.769 0.361 1.00 0.00 C ATOM 1069 CD LYS A 208 1.148 0.377 1.817 1.00 0.00 C ATOM 1070 CE LYS A 208 2.286 0.853 2.708 1.00 0.00 C ATOM 1071 NZ LYS A 208 2.146 0.386 4.099 1.00 0.00 N1+ ATOM 0 H LYS A 208 1.677 -1.071 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 208 0.220 -1.641 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 208 0.417 0.780 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -0.672 0.759 -0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 208 2.324 0.315 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 208 1.524 1.849 0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 208 0.208 0.809 2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 208 1.049 -0.706 1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 208 3.234 0.498 2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 208 2.322 1.942 2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 3.069 0.062 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 1.803 1.167 4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 1.467 -0.401 4.134 1.00 0.00 H new ATOM 1085 N TRP A 209 -1.567 -1.344 -2.508 1.00 0.00 N ATOM 1086 CA TRP A 209 -2.859 -1.662 -3.113 1.00 0.00 C ATOM 1087 C TRP A 209 -3.168 -3.129 -2.917 1.00 0.00 C ATOM 1088 O TRP A 209 -4.315 -3.516 -2.653 1.00 0.00 O ATOM 1089 CB TRP A 209 -2.856 -1.308 -4.606 1.00 0.00 C ATOM 1090 CG TRP A 209 -4.151 -1.613 -5.320 1.00 0.00 C ATOM 1091 CD1 TRP A 209 -4.332 -2.476 -6.365 1.00 0.00 C ATOM 1092 CD2 TRP A 209 -5.442 -1.064 -5.028 1.00 0.00 C ATOM 1093 NE1 TRP A 209 -5.651 -2.482 -6.740 1.00 0.00 N ATOM 1094 CE2 TRP A 209 -6.351 -1.630 -5.934 1.00 0.00 C ATOM 1095 CE3 TRP A 209 -5.913 -0.151 -4.090 1.00 0.00 C ATOM 1096 CZ2 TRP A 209 -7.707 -1.312 -5.927 1.00 0.00 C ATOM 1097 CZ3 TRP A 209 -7.254 0.162 -4.085 1.00 0.00 C ATOM 1098 CH2 TRP A 209 -8.137 -0.417 -4.996 1.00 0.00 C ATOM 0 H TRP A 209 -0.869 -1.004 -3.170 1.00 0.00 H new ATOM 0 HA TRP A 209 -3.633 -1.069 -2.625 1.00 0.00 H new ATOM 0 HB2 TRP A 209 -2.636 -0.246 -4.715 1.00 0.00 H new ATOM 0 HB3 TRP A 209 -2.048 -1.853 -5.095 1.00 0.00 H new ATOM 0 HD1 TRP A 209 -3.553 -3.065 -6.826 1.00 0.00 H new ATOM 0 HE1 TRP A 209 -6.047 -3.035 -7.500 1.00 0.00 H new ATOM 0 HE3 TRP A 209 -5.239 0.304 -3.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 209 -8.391 -1.759 -6.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 209 -7.629 0.870 -3.361 1.00 0.00 H new ATOM 0 HH2 TRP A 209 -9.183 -0.150 -4.962 1.00 0.00 H new ATOM 1109 N ARG A 210 -2.134 -3.932 -3.037 1.00 0.00 N ATOM 1110 CA ARG A 210 -2.227 -5.355 -2.802 1.00 0.00 C ATOM 1111 C ARG A 210 -2.672 -5.616 -1.351 1.00 0.00 C ATOM 1112 O ARG A 210 -3.681 -6.275 -1.126 1.00 0.00 O ATOM 1113 CB ARG A 210 -0.874 -6.036 -3.094 1.00 0.00 C ATOM 1114 CG ARG A 210 -0.873 -7.546 -2.939 1.00 0.00 C ATOM 1115 CD ARG A 210 -1.791 -8.216 -3.935 1.00 0.00 C ATOM 1116 NE ARG A 210 -1.872 -9.658 -3.702 1.00 0.00 N ATOM 1117 CZ ARG A 210 -2.859 -10.455 -4.122 1.00 0.00 C ATOM 1118 NH1 ARG A 210 -3.804 -9.985 -4.942 1.00 0.00 N1+ ATOM 1119 NH2 ARG A 210 -2.878 -11.727 -3.743 1.00 0.00 N ATOM 0 H ARG A 210 -1.201 -3.615 -3.301 1.00 0.00 H new ATOM 0 HA ARG A 210 -2.971 -5.781 -3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -0.572 -5.789 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -0.121 -5.616 -2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 210 0.141 -7.923 -3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -1.183 -7.807 -1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -2.787 -7.778 -3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -1.431 -8.029 -4.947 1.00 0.00 H new ATOM 0 HE ARG A 210 -1.113 -10.091 -3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -3.774 -9.013 -5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -4.555 -10.598 -5.259 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -2.143 -12.089 -3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -3.628 -12.342 -4.059 1.00 0.00 H new ATOM 1133 N GLU A 211 -1.953 -5.042 -0.395 1.00 0.00 N ATOM 1134 CA GLU A 211 -2.256 -5.205 1.036 1.00 0.00 C ATOM 1135 C GLU A 211 -3.638 -4.668 1.386 1.00 0.00 C ATOM 1136 O GLU A 211 -4.348 -5.244 2.212 1.00 0.00 O ATOM 1137 CB GLU A 211 -1.186 -4.547 1.911 1.00 0.00 C ATOM 1138 CG GLU A 211 0.169 -5.223 1.819 1.00 0.00 C ATOM 1139 CD GLU A 211 1.201 -4.618 2.724 1.00 0.00 C ATOM 1140 OE1 GLU A 211 1.086 -4.764 3.971 1.00 0.00 O ATOM 1141 OE2 GLU A 211 2.162 -4.010 2.233 1.00 0.00 O1- ATOM 0 H GLU A 211 -1.143 -4.450 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 211 -2.253 -6.276 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 211 -1.082 -3.502 1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 211 -1.519 -4.558 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 211 0.057 -6.279 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 211 0.524 -5.170 0.790 1.00 0.00 H new ATOM 1148 N PHE A 212 -4.001 -3.574 0.760 1.00 0.00 N ATOM 1149 CA PHE A 212 -5.307 -2.967 0.926 1.00 0.00 C ATOM 1150 C PHE A 212 -6.397 -3.935 0.466 1.00 0.00 C ATOM 1151 O PHE A 212 -7.215 -4.371 1.255 1.00 0.00 O ATOM 1152 CB PHE A 212 -5.363 -1.668 0.101 1.00 0.00 C ATOM 1153 CG PHE A 212 -6.662 -0.901 0.157 1.00 0.00 C ATOM 1154 CD1 PHE A 212 -7.669 -1.148 -0.763 1.00 0.00 C ATOM 1155 CD2 PHE A 212 -6.861 0.086 1.105 1.00 0.00 C ATOM 1156 CE1 PHE A 212 -8.843 -0.437 -0.733 1.00 0.00 C ATOM 1157 CE2 PHE A 212 -8.033 0.806 1.135 1.00 0.00 C ATOM 1158 CZ PHE A 212 -9.027 0.542 0.214 1.00 0.00 C ATOM 0 H PHE A 212 -3.393 -3.072 0.113 1.00 0.00 H new ATOM 0 HA PHE A 212 -5.475 -2.737 1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 212 -4.562 -1.011 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 212 -5.154 -1.914 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 212 -7.528 -1.911 -1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 212 -6.088 0.294 1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 212 -9.621 -0.647 -1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 212 -8.175 1.577 1.878 1.00 0.00 H new ATOM 0 HZ PHE A 212 -9.949 1.104 0.238 1.00 0.00 H new ATOM 1168 N SER A 213 -6.330 -4.317 -0.791 1.00 0.00 N ATOM 1169 CA SER A 213 -7.343 -5.138 -1.419 1.00 0.00 C ATOM 1170 C SER A 213 -7.430 -6.561 -0.841 1.00 0.00 C ATOM 1171 O SER A 213 -8.524 -7.138 -0.766 1.00 0.00 O ATOM 1172 CB SER A 213 -7.097 -5.170 -2.918 1.00 0.00 C ATOM 1173 OG SER A 213 -7.106 -3.848 -3.447 1.00 0.00 O ATOM 0 H SER A 213 -5.562 -4.064 -1.413 1.00 0.00 H new ATOM 0 HA SER A 213 -8.310 -4.683 -1.206 1.00 0.00 H new ATOM 0 HB2 SER A 213 -6.139 -5.646 -3.126 1.00 0.00 H new ATOM 0 HB3 SER A 213 -7.864 -5.770 -3.407 1.00 0.00 H new ATOM 0 HG SER A 213 -6.231 -3.432 -3.302 1.00 0.00 H new ATOM 1179 N THR A 214 -6.306 -7.110 -0.419 1.00 0.00 N ATOM 1180 CA THR A 214 -6.285 -8.463 0.113 1.00 0.00 C ATOM 1181 C THR A 214 -6.913 -8.506 1.523 1.00 0.00 C ATOM 1182 O THR A 214 -7.549 -9.499 1.921 1.00 0.00 O ATOM 1183 CB THR A 214 -4.832 -9.027 0.151 1.00 0.00 C ATOM 1184 OG1 THR A 214 -4.207 -8.843 -1.135 1.00 0.00 O ATOM 1185 CG2 THR A 214 -4.828 -10.513 0.468 1.00 0.00 C ATOM 0 H THR A 214 -5.399 -6.644 -0.433 1.00 0.00 H new ATOM 0 HA THR A 214 -6.878 -9.091 -0.551 1.00 0.00 H new ATOM 0 HB THR A 214 -4.288 -8.491 0.928 1.00 0.00 H new ATOM 0 HG1 THR A 214 -4.006 -7.893 -1.268 1.00 0.00 H new ATOM 0 HG21 THR A 214 -3.801 -10.878 0.488 1.00 0.00 H new ATOM 0 HG22 THR A 214 -5.291 -10.679 1.441 1.00 0.00 H new ATOM 0 HG23 THR A 214 -5.389 -11.050 -0.297 1.00 0.00 H new ATOM 1193 N ASN A 215 -6.797 -7.410 2.245 1.00 0.00 N ATOM 1194 CA ASN A 215 -7.273 -7.345 3.623 1.00 0.00 C ATOM 1195 C ASN A 215 -8.493 -6.427 3.689 1.00 0.00 C ATOM 1196 O ASN A 215 -8.873 -5.950 4.734 1.00 0.00 O ATOM 1197 CB ASN A 215 -6.120 -6.824 4.525 1.00 0.00 C ATOM 1198 CG ASN A 215 -6.350 -6.979 6.037 1.00 0.00 C ATOM 1199 OD1 ASN A 215 -6.039 -8.026 6.622 1.00 0.00 O ATOM 1200 ND2 ASN A 215 -6.825 -5.953 6.684 1.00 0.00 N ATOM 0 H ASN A 215 -6.376 -6.546 1.904 1.00 0.00 H new ATOM 0 HA ASN A 215 -7.572 -8.331 3.978 1.00 0.00 H new ATOM 0 HB2 ASN A 215 -5.204 -7.351 4.257 1.00 0.00 H new ATOM 0 HB3 ASN A 215 -5.957 -5.769 4.305 1.00 0.00 H new ATOM 0 HD21 ASN A 215 -6.948 -6.000 7.695 1.00 0.00 H new ATOM 0 HD22 ASN A 215 -7.074 -5.102 6.179 1.00 0.00 H new ATOM 1207 N ASN A 216 -9.122 -6.220 2.550 1.00 0.00 N ATOM 1208 CA ASN A 216 -10.276 -5.335 2.459 1.00 0.00 C ATOM 1209 C ASN A 216 -11.536 -6.103 2.884 1.00 0.00 C ATOM 1210 O ASN A 216 -12.043 -6.947 2.124 1.00 0.00 O ATOM 1211 CB ASN A 216 -10.431 -4.821 1.017 1.00 0.00 C ATOM 1212 CG ASN A 216 -11.402 -3.655 0.884 1.00 0.00 C ATOM 1213 OD1 ASN A 216 -11.018 -2.517 0.967 1.00 0.00 O ATOM 1214 ND2 ASN A 216 -12.650 -3.929 0.662 1.00 0.00 N ATOM 0 H ASN A 216 -8.855 -6.654 1.666 1.00 0.00 H new ATOM 0 HA ASN A 216 -10.133 -4.480 3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 216 -9.454 -4.513 0.643 1.00 0.00 H new ATOM 0 HB3 ASN A 216 -10.771 -5.640 0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 216 -13.327 -3.173 0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 216 -12.955 -4.900 0.595 1.00 0.00 H new