USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 872 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 432 HIS : no HD1:sc= -0.441 K(o=-1.6,f=-0.59) USER MOD Set 1.2: A 436 GLN : amide:sc= -1.2 K(o=-1.6,f=-3.4!) USER MOD Set 2.1: A 401 ASN : amide:sc= -1.26 K(o=-0.71,f=-3.3) USER MOD Set 2.2: A 417 LYS NZ :NH3+ -168:sc= 0.547 (180deg=0.548) USER MOD Set 3.1: A 342 TYR OH : rot 180:sc= 0.254 USER MOD Set 3.2: A 362 LYS NZ :NH3+ -170:sc= 0.265 (180deg=0) USER MOD Single : A 340 TYR OH : rot 30:sc= -1.85! USER MOD Single : A 343 GLN : amide:sc= 0.664 K(o=0.66,f=0) USER MOD Single : A 346 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 348 SER OG : rot 180:sc= 0.0439 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc= -0.793 K(o=-0.79,f=-0.16) USER MOD Single : A 359 LYS NZ :NH3+ -165:sc= -0.0294 (180deg=-0.255) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 370 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 379 HIS : no HE2:sc= -1.02 K(o=-1,f=-0.25) USER MOD Single : A 380 LYS NZ :NH3+ 141:sc= 1.23 (180deg=0.99) USER MOD Single : A 381 ASN : amide:sc= -0.348 K(o=-0.35,f=-0.96) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 387 TYR OH : rot -108:sc= -0.758 USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 MET CE :methyl -170:sc= -5.14! (180deg=-5.31!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 396 HIS : no HD1:sc= -0.8 X(o=-0.8,f=-1.3) USER MOD Single : A 397 TYR OH : rot -110:sc= -3.87! USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0786) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 GLN : amide:sc= -1.55 K(o=-1.5,f=-2.4!) USER MOD Single : A 416 MET CE :methyl -155:sc= -0.239 (180deg=-1.06) USER MOD Single : A 418 THR OG1 : rot -71:sc= 1.11 USER MOD Single : A 423 MET CE :methyl -152:sc= 0 (180deg=-0.294) USER MOD Single : A 424 SER OG : rot -34:sc= 0.148 USER MOD Single : A 427 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 435 SER OG : rot 59:sc= 0.972 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 336 -1.675 7.184 -5.819 1.00 1.08 N ATOM 81 CA LEU A 336 -1.478 6.732 -4.456 1.00 0.60 C ATOM 82 C LEU A 336 -1.768 5.246 -4.270 1.00 0.50 C ATOM 83 O LEU A 336 -2.430 4.611 -5.097 1.00 0.62 O ATOM 84 CB LEU A 336 -2.343 7.554 -3.492 1.00 0.36 C ATOM 85 CG LEU A 336 -1.984 9.039 -3.383 1.00 0.30 C ATOM 86 CD1 LEU A 336 -2.640 9.666 -2.165 1.00 0.25 C ATOM 87 CD2 LEU A 336 -0.488 9.222 -3.313 1.00 0.39 C ATOM 0 HA LEU A 336 -0.422 6.882 -4.231 1.00 0.60 H new ATOM 0 HB2 LEU A 336 -3.384 7.472 -3.806 1.00 0.36 H new ATOM 0 HB3 LEU A 336 -2.274 7.108 -2.500 1.00 0.36 H new ATOM 0 HG LEU A 336 -2.358 9.539 -4.276 1.00 0.30 H new ATOM 0 HD11 LEU A 336 -2.370 10.721 -2.109 1.00 0.25 H new ATOM 0 HD12 LEU A 336 -3.723 9.572 -2.246 1.00 0.25 H new ATOM 0 HD13 LEU A 336 -2.298 9.156 -1.265 1.00 0.25 H new ATOM 0 HD21 LEU A 336 -0.255 10.284 -3.236 1.00 0.39 H new ATOM 0 HD22 LEU A 336 -0.098 8.700 -2.439 1.00 0.39 H new ATOM 0 HD23 LEU A 336 -0.029 8.814 -4.214 1.00 0.39 H new ATOM 99 N LEU A 337 -1.261 4.715 -3.171 1.00 0.39 N ATOM 100 CA LEU A 337 -1.432 3.321 -2.801 1.00 0.30 C ATOM 101 C LEU A 337 -2.904 2.935 -2.756 1.00 0.26 C ATOM 102 O LEU A 337 -3.313 2.000 -3.445 1.00 0.25 O ATOM 103 CB LEU A 337 -0.753 3.075 -1.448 1.00 0.32 C ATOM 104 CG LEU A 337 -1.210 1.850 -0.651 1.00 0.31 C ATOM 105 CD1 LEU A 337 -0.855 0.566 -1.368 1.00 0.24 C ATOM 106 CD2 LEU A 337 -0.577 1.875 0.730 1.00 0.39 C ATOM 0 H LEU A 337 -0.710 5.249 -2.500 1.00 0.39 H new ATOM 0 HA LEU A 337 -0.964 2.692 -3.558 1.00 0.30 H new ATOM 0 HB2 LEU A 337 0.320 2.986 -1.619 1.00 0.32 H new ATOM 0 HB3 LEU A 337 -0.905 3.958 -0.828 1.00 0.32 H new ATOM 0 HG LEU A 337 -2.295 1.887 -0.553 1.00 0.31 H new ATOM 0 HD11 LEU A 337 -1.192 -0.286 -0.777 1.00 0.24 H new ATOM 0 HD12 LEU A 337 -1.342 0.547 -2.343 1.00 0.24 H new ATOM 0 HD13 LEU A 337 0.225 0.510 -1.501 1.00 0.24 H new ATOM 0 HD21 LEU A 337 -0.903 1.002 1.296 1.00 0.39 H new ATOM 0 HD22 LEU A 337 0.509 1.859 0.633 1.00 0.39 H new ATOM 0 HD23 LEU A 337 -0.881 2.781 1.253 1.00 0.39 H new ATOM 118 N TRP A 338 -3.700 3.679 -1.987 1.00 0.25 N ATOM 119 CA TRP A 338 -5.108 3.330 -1.781 1.00 0.24 C ATOM 120 C TRP A 338 -5.889 3.267 -3.091 1.00 0.24 C ATOM 121 O TRP A 338 -6.876 2.549 -3.183 1.00 0.24 O ATOM 122 CB TRP A 338 -5.799 4.272 -0.780 1.00 0.24 C ATOM 123 CG TRP A 338 -5.555 5.735 -1.008 1.00 0.21 C ATOM 124 CD1 TRP A 338 -4.788 6.558 -0.243 1.00 0.20 C ATOM 125 CD2 TRP A 338 -6.088 6.550 -2.054 1.00 0.22 C ATOM 126 NE1 TRP A 338 -4.804 7.826 -0.752 1.00 0.17 N ATOM 127 CE2 TRP A 338 -5.591 7.849 -1.869 1.00 0.19 C ATOM 128 CE3 TRP A 338 -6.928 6.307 -3.133 1.00 0.28 C ATOM 129 CZ2 TRP A 338 -5.910 8.897 -2.724 1.00 0.22 C ATOM 130 CZ3 TRP A 338 -7.244 7.346 -3.981 1.00 0.31 C ATOM 131 CH2 TRP A 338 -6.735 8.627 -3.774 1.00 0.28 C ATOM 0 H TRP A 338 -3.397 4.522 -1.499 1.00 0.25 H new ATOM 0 HA TRP A 338 -5.108 2.329 -1.350 1.00 0.24 H new ATOM 0 HB2 TRP A 338 -6.873 4.089 -0.815 1.00 0.24 H new ATOM 0 HB3 TRP A 338 -5.465 4.016 0.226 1.00 0.24 H new ATOM 0 HD1 TRP A 338 -4.245 6.253 0.639 1.00 0.20 H new ATOM 0 HE1 TRP A 338 -4.308 8.627 -0.361 1.00 0.17 H new ATOM 0 HE3 TRP A 338 -7.328 5.318 -3.305 1.00 0.28 H new ATOM 0 HZ2 TRP A 338 -5.518 9.890 -2.562 1.00 0.22 H new ATOM 0 HZ3 TRP A 338 -7.898 7.165 -4.821 1.00 0.31 H new ATOM 0 HH2 TRP A 338 -6.999 9.420 -4.458 1.00 0.28 H new ATOM 142 N ASP A 339 -5.451 4.003 -4.105 1.00 0.25 N ATOM 143 CA ASP A 339 -6.144 3.984 -5.391 1.00 0.27 C ATOM 144 C ASP A 339 -5.696 2.785 -6.197 1.00 0.26 C ATOM 145 O ASP A 339 -6.499 2.119 -6.846 1.00 0.33 O ATOM 146 CB ASP A 339 -5.890 5.266 -6.184 1.00 0.36 C ATOM 147 CG ASP A 339 -6.749 5.347 -7.433 1.00 1.00 C ATOM 148 OD1 ASP A 339 -7.949 5.671 -7.322 1.00 1.80 O ATOM 149 OD2 ASP A 339 -6.223 5.090 -8.535 1.00 1.19 O ATOM 0 H ASP A 339 -4.633 4.611 -4.066 1.00 0.25 H new ATOM 0 HA ASP A 339 -7.214 3.917 -5.195 1.00 0.27 H new ATOM 0 HB2 ASP A 339 -6.091 6.129 -5.550 1.00 0.36 H new ATOM 0 HB3 ASP A 339 -4.838 5.315 -6.465 1.00 0.36 H new ATOM 154 N TYR A 340 -4.406 2.506 -6.123 1.00 0.22 N ATOM 155 CA TYR A 340 -3.825 1.368 -6.808 1.00 0.20 C ATOM 156 C TYR A 340 -4.420 0.065 -6.278 1.00 0.17 C ATOM 157 O TYR A 340 -4.809 -0.814 -7.044 1.00 0.17 O ATOM 158 CB TYR A 340 -2.306 1.371 -6.622 1.00 0.21 C ATOM 159 CG TYR A 340 -1.613 0.244 -7.333 1.00 0.20 C ATOM 160 CD1 TYR A 340 -1.344 0.318 -8.689 1.00 0.26 C ATOM 161 CD2 TYR A 340 -1.233 -0.897 -6.644 1.00 0.17 C ATOM 162 CE1 TYR A 340 -0.718 -0.716 -9.346 1.00 0.28 C ATOM 163 CE2 TYR A 340 -0.601 -1.938 -7.290 1.00 0.18 C ATOM 164 CZ TYR A 340 -0.346 -1.842 -8.647 1.00 0.24 C ATOM 165 OH TYR A 340 0.265 -2.880 -9.313 1.00 0.28 O ATOM 0 H TYR A 340 -3.736 3.060 -5.589 1.00 0.22 H new ATOM 0 HA TYR A 340 -4.054 1.443 -7.871 1.00 0.20 H new ATOM 0 HB2 TYR A 340 -1.906 2.318 -6.983 1.00 0.21 H new ATOM 0 HB3 TYR A 340 -2.078 1.313 -5.558 1.00 0.21 H new ATOM 0 HD1 TYR A 340 -1.630 1.202 -9.240 1.00 0.26 H new ATOM 0 HD2 TYR A 340 -1.435 -0.972 -5.586 1.00 0.17 H new ATOM 0 HE1 TYR A 340 -0.519 -0.645 -10.405 1.00 0.28 H new ATOM 0 HE2 TYR A 340 -0.307 -2.821 -6.742 1.00 0.18 H new ATOM 0 HH TYR A 340 0.774 -2.527 -10.072 1.00 0.28 H new ATOM 175 N VAL A 341 -4.500 -0.040 -4.958 1.00 0.17 N ATOM 176 CA VAL A 341 -5.049 -1.227 -4.315 1.00 0.15 C ATOM 177 C VAL A 341 -6.556 -1.327 -4.547 1.00 0.15 C ATOM 178 O VAL A 341 -7.091 -2.413 -4.761 1.00 0.15 O ATOM 179 CB VAL A 341 -4.735 -1.240 -2.800 1.00 0.16 C ATOM 180 CG1 VAL A 341 -5.104 0.079 -2.153 1.00 0.18 C ATOM 181 CG2 VAL A 341 -5.459 -2.375 -2.098 1.00 0.15 C ATOM 0 H VAL A 341 -4.191 0.685 -4.310 1.00 0.17 H new ATOM 0 HA VAL A 341 -4.572 -2.096 -4.768 1.00 0.15 H new ATOM 0 HB VAL A 341 -3.661 -1.393 -2.696 1.00 0.16 H new ATOM 0 HG11 VAL A 341 -4.872 0.040 -1.089 1.00 0.18 H new ATOM 0 HG12 VAL A 341 -4.536 0.884 -2.619 1.00 0.18 H new ATOM 0 HG13 VAL A 341 -6.170 0.264 -2.285 1.00 0.18 H new ATOM 0 HG21 VAL A 341 -5.218 -2.358 -1.035 1.00 0.15 H new ATOM 0 HG22 VAL A 341 -6.535 -2.256 -2.229 1.00 0.15 H new ATOM 0 HG23 VAL A 341 -5.144 -3.327 -2.526 1.00 0.15 H new ATOM 191 N TYR A 342 -7.230 -0.189 -4.525 1.00 0.17 N ATOM 192 CA TYR A 342 -8.661 -0.137 -4.793 1.00 0.17 C ATOM 193 C TYR A 342 -8.925 -0.560 -6.241 1.00 0.17 C ATOM 194 O TYR A 342 -9.962 -1.143 -6.556 1.00 0.18 O ATOM 195 CB TYR A 342 -9.177 1.281 -4.528 1.00 0.20 C ATOM 196 CG TYR A 342 -10.655 1.384 -4.211 1.00 0.31 C ATOM 197 CD1 TYR A 342 -11.184 0.793 -3.069 1.00 0.48 C ATOM 198 CD2 TYR A 342 -11.518 2.090 -5.038 1.00 0.44 C ATOM 199 CE1 TYR A 342 -12.526 0.900 -2.764 1.00 0.67 C ATOM 200 CE2 TYR A 342 -12.861 2.206 -4.739 1.00 0.62 C ATOM 201 CZ TYR A 342 -13.362 1.608 -3.602 1.00 0.71 C ATOM 202 OH TYR A 342 -14.701 1.723 -3.298 1.00 0.92 O ATOM 0 H TYR A 342 -6.808 0.717 -4.323 1.00 0.17 H new ATOM 0 HA TYR A 342 -9.191 -0.824 -4.134 1.00 0.17 H new ATOM 0 HB2 TYR A 342 -8.614 1.705 -3.697 1.00 0.20 H new ATOM 0 HB3 TYR A 342 -8.966 1.896 -5.403 1.00 0.20 H new ATOM 0 HD1 TYR A 342 -10.533 0.240 -2.408 1.00 0.48 H new ATOM 0 HD2 TYR A 342 -11.132 2.557 -5.932 1.00 0.44 H new ATOM 0 HE1 TYR A 342 -12.919 0.432 -1.874 1.00 0.67 H new ATOM 0 HE2 TYR A 342 -13.516 2.763 -5.393 1.00 0.62 H new ATOM 0 HH TYR A 342 -15.149 2.254 -3.989 1.00 0.92 H new ATOM 212 N GLN A 343 -7.968 -0.254 -7.114 1.00 0.18 N ATOM 213 CA GLN A 343 -7.998 -0.697 -8.505 1.00 0.19 C ATOM 214 C GLN A 343 -7.818 -2.214 -8.587 1.00 0.18 C ATOM 215 O GLN A 343 -8.394 -2.877 -9.454 1.00 0.23 O ATOM 216 CB GLN A 343 -6.891 0.015 -9.297 1.00 0.26 C ATOM 217 CG GLN A 343 -6.693 -0.498 -10.717 1.00 0.71 C ATOM 218 CD GLN A 343 -7.862 -0.191 -11.633 1.00 1.41 C ATOM 219 OE1 GLN A 343 -7.895 0.848 -12.289 1.00 2.07 O ATOM 220 NE2 GLN A 343 -8.826 -1.093 -11.687 1.00 2.22 N ATOM 0 H GLN A 343 -7.150 0.308 -6.877 1.00 0.18 H new ATOM 0 HA GLN A 343 -8.966 -0.444 -8.937 1.00 0.19 H new ATOM 0 HB2 GLN A 343 -7.121 1.080 -9.339 1.00 0.26 H new ATOM 0 HB3 GLN A 343 -5.951 -0.087 -8.754 1.00 0.26 H new ATOM 0 HG2 GLN A 343 -5.788 -0.055 -11.133 1.00 0.71 H new ATOM 0 HG3 GLN A 343 -6.536 -1.576 -10.688 1.00 0.71 H new ATOM 0 HE21 GLN A 343 -8.761 -1.943 -11.127 1.00 2.22 H new ATOM 0 HE22 GLN A 343 -9.635 -0.939 -12.289 1.00 2.22 H new ATOM 229 N LEU A 344 -7.034 -2.761 -7.665 1.00 0.16 N ATOM 230 CA LEU A 344 -6.772 -4.190 -7.625 1.00 0.15 C ATOM 231 C LEU A 344 -8.002 -4.950 -7.151 1.00 0.17 C ATOM 232 O LEU A 344 -8.120 -6.147 -7.356 1.00 0.24 O ATOM 233 CB LEU A 344 -5.587 -4.502 -6.710 1.00 0.15 C ATOM 234 CG LEU A 344 -4.242 -3.919 -7.144 1.00 0.12 C ATOM 235 CD1 LEU A 344 -3.165 -4.296 -6.148 1.00 0.13 C ATOM 236 CD2 LEU A 344 -3.868 -4.400 -8.537 1.00 0.19 C ATOM 0 H LEU A 344 -6.567 -2.229 -6.931 1.00 0.16 H new ATOM 0 HA LEU A 344 -6.527 -4.511 -8.637 1.00 0.15 H new ATOM 0 HB2 LEU A 344 -5.817 -4.133 -5.710 1.00 0.15 H new ATOM 0 HB3 LEU A 344 -5.485 -5.585 -6.634 1.00 0.15 H new ATOM 0 HG LEU A 344 -4.331 -2.833 -7.173 1.00 0.12 H new ATOM 0 HD11 LEU A 344 -2.211 -3.876 -6.467 1.00 0.13 H new ATOM 0 HD12 LEU A 344 -3.425 -3.903 -5.165 1.00 0.13 H new ATOM 0 HD13 LEU A 344 -3.083 -5.382 -6.094 1.00 0.13 H new ATOM 0 HD21 LEU A 344 -2.907 -3.972 -8.824 1.00 0.19 H new ATOM 0 HD22 LEU A 344 -3.796 -5.488 -8.539 1.00 0.19 H new ATOM 0 HD23 LEU A 344 -4.632 -4.086 -9.248 1.00 0.19 H new ATOM 248 N LEU A 345 -8.894 -4.256 -6.486 1.00 0.18 N ATOM 249 CA LEU A 345 -10.080 -4.876 -5.938 1.00 0.20 C ATOM 250 C LEU A 345 -11.188 -5.074 -6.972 1.00 0.25 C ATOM 251 O LEU A 345 -12.032 -5.954 -6.812 1.00 0.36 O ATOM 252 CB LEU A 345 -10.581 -4.039 -4.774 1.00 0.17 C ATOM 253 CG LEU A 345 -9.673 -4.084 -3.556 1.00 0.15 C ATOM 254 CD1 LEU A 345 -10.055 -3.026 -2.537 1.00 0.16 C ATOM 255 CD2 LEU A 345 -9.710 -5.470 -2.936 1.00 0.15 C ATOM 0 H LEU A 345 -8.821 -3.254 -6.310 1.00 0.18 H new ATOM 0 HA LEU A 345 -9.804 -5.874 -5.599 1.00 0.20 H new ATOM 0 HB2 LEU A 345 -10.686 -3.004 -5.100 1.00 0.17 H new ATOM 0 HB3 LEU A 345 -11.574 -4.386 -4.489 1.00 0.17 H new ATOM 0 HG LEU A 345 -8.655 -3.867 -3.880 1.00 0.15 H new ATOM 0 HD11 LEU A 345 -9.385 -3.088 -1.680 1.00 0.16 H new ATOM 0 HD12 LEU A 345 -9.974 -2.038 -2.990 1.00 0.16 H new ATOM 0 HD13 LEU A 345 -11.081 -3.191 -2.208 1.00 0.16 H new ATOM 0 HD21 LEU A 345 -9.057 -5.496 -2.063 1.00 0.15 H new ATOM 0 HD22 LEU A 345 -10.730 -5.706 -2.633 1.00 0.15 H new ATOM 0 HD23 LEU A 345 -9.369 -6.204 -3.666 1.00 0.15 H new ATOM 267 N SER A 346 -11.193 -4.273 -8.027 1.00 0.28 N ATOM 268 CA SER A 346 -12.271 -4.338 -9.009 1.00 0.35 C ATOM 269 C SER A 346 -11.990 -5.366 -10.114 1.00 0.36 C ATOM 270 O SER A 346 -12.918 -5.889 -10.734 1.00 0.54 O ATOM 271 CB SER A 346 -12.517 -2.951 -9.601 1.00 0.46 C ATOM 272 OG SER A 346 -11.297 -2.311 -9.933 1.00 1.06 O ATOM 0 H SER A 346 -10.474 -3.578 -8.226 1.00 0.28 H new ATOM 0 HA SER A 346 -13.172 -4.673 -8.494 1.00 0.35 H new ATOM 0 HB2 SER A 346 -13.139 -3.038 -10.492 1.00 0.46 H new ATOM 0 HB3 SER A 346 -13.068 -2.340 -8.886 1.00 0.46 H new ATOM 0 HG SER A 346 -11.484 -1.426 -10.311 1.00 1.06 H new ATOM 278 N ASP A 347 -10.717 -5.657 -10.357 1.00 0.32 N ATOM 279 CA ASP A 347 -10.331 -6.656 -11.341 1.00 0.34 C ATOM 280 C ASP A 347 -10.327 -8.050 -10.689 1.00 0.34 C ATOM 281 O ASP A 347 -10.235 -8.155 -9.475 1.00 0.43 O ATOM 282 CB ASP A 347 -8.954 -6.285 -11.930 1.00 0.41 C ATOM 283 CG ASP A 347 -9.059 -5.393 -13.148 1.00 0.80 C ATOM 284 OD1 ASP A 347 -9.228 -5.925 -14.266 1.00 0.99 O ATOM 285 OD2 ASP A 347 -8.968 -4.159 -12.998 1.00 1.18 O ATOM 0 H ASP A 347 -9.932 -5.211 -9.882 1.00 0.32 H new ATOM 0 HA ASP A 347 -11.049 -6.681 -12.161 1.00 0.34 H new ATOM 0 HB2 ASP A 347 -8.361 -5.782 -11.167 1.00 0.41 H new ATOM 0 HB3 ASP A 347 -8.421 -7.197 -12.198 1.00 0.41 H new ATOM 290 N SER A 348 -10.576 -9.099 -11.473 1.00 0.40 N ATOM 291 CA SER A 348 -10.543 -10.486 -10.976 1.00 0.43 C ATOM 292 C SER A 348 -9.171 -11.160 -10.983 1.00 0.35 C ATOM 293 O SER A 348 -8.905 -12.027 -10.158 1.00 0.40 O ATOM 294 CB SER A 348 -11.569 -11.318 -11.736 1.00 0.59 C ATOM 295 OG SER A 348 -11.579 -10.972 -13.113 1.00 0.79 O ATOM 0 H SER A 348 -10.805 -9.019 -12.464 1.00 0.40 H new ATOM 0 HA SER A 348 -10.797 -10.428 -9.918 1.00 0.43 H new ATOM 0 HB2 SER A 348 -11.339 -12.378 -11.624 1.00 0.59 H new ATOM 0 HB3 SER A 348 -12.560 -11.160 -11.310 1.00 0.59 H new ATOM 0 HG SER A 348 -12.243 -11.519 -13.583 1.00 0.79 H new ATOM 301 N ARG A 349 -8.316 -10.762 -11.907 1.00 0.34 N ATOM 302 CA ARG A 349 -7.009 -11.380 -12.117 1.00 0.37 C ATOM 303 C ARG A 349 -6.224 -11.646 -10.819 1.00 0.31 C ATOM 304 O ARG A 349 -5.834 -12.778 -10.541 1.00 0.42 O ATOM 305 CB ARG A 349 -6.198 -10.492 -13.048 1.00 0.45 C ATOM 306 CG ARG A 349 -6.793 -9.122 -13.297 1.00 0.71 C ATOM 307 CD ARG A 349 -6.569 -8.205 -12.120 1.00 1.07 C ATOM 308 NE ARG A 349 -7.344 -8.553 -10.914 1.00 1.86 N ATOM 309 CZ ARG A 349 -7.366 -7.834 -9.777 1.00 2.54 C ATOM 310 NH1 ARG A 349 -7.017 -6.555 -9.773 1.00 2.75 N ATOM 311 NH2 ARG A 349 -7.820 -8.378 -8.655 1.00 3.43 N ATOM 0 H ARG A 349 -8.508 -9.989 -12.545 1.00 0.34 H new ATOM 0 HA ARG A 349 -7.184 -12.362 -12.558 1.00 0.37 H new ATOM 0 HB2 ARG A 349 -5.199 -10.368 -12.630 1.00 0.45 H new ATOM 0 HB3 ARG A 349 -6.083 -11.002 -14.004 1.00 0.45 H new ATOM 0 HG2 ARG A 349 -6.346 -8.686 -14.191 1.00 0.71 H new ATOM 0 HG3 ARG A 349 -7.862 -9.217 -13.489 1.00 0.71 H new ATOM 0 HD2 ARG A 349 -5.508 -8.211 -11.868 1.00 1.07 H new ATOM 0 HD3 ARG A 349 -6.821 -7.187 -12.416 1.00 1.07 H new ATOM 0 HE ARG A 349 -7.906 -9.404 -10.944 1.00 1.86 H new ATOM 0 HH11 ARG A 349 -6.727 -6.103 -10.640 1.00 2.75 H new ATOM 0 HH12 ARG A 349 -7.039 -6.023 -8.903 1.00 2.75 H new ATOM 0 HH21 ARG A 349 -8.153 -9.342 -8.654 1.00 3.43 H new ATOM 0 HH22 ARG A 349 -7.836 -7.832 -7.794 1.00 3.43 H new ATOM 325 N TYR A 350 -6.003 -10.604 -10.040 1.00 0.26 N ATOM 326 CA TYR A 350 -5.237 -10.695 -8.796 1.00 0.30 C ATOM 327 C TYR A 350 -6.088 -11.135 -7.603 1.00 0.24 C ATOM 328 O TYR A 350 -5.770 -10.767 -6.483 1.00 0.25 O ATOM 329 CB TYR A 350 -4.605 -9.343 -8.433 1.00 0.40 C ATOM 330 CG TYR A 350 -3.893 -8.646 -9.561 1.00 0.47 C ATOM 331 CD1 TYR A 350 -2.660 -9.069 -10.000 1.00 0.54 C ATOM 332 CD2 TYR A 350 -4.465 -7.552 -10.181 1.00 0.52 C ATOM 333 CE1 TYR A 350 -2.024 -8.421 -11.033 1.00 0.61 C ATOM 334 CE2 TYR A 350 -3.847 -6.893 -11.204 1.00 0.60 C ATOM 335 CZ TYR A 350 -2.617 -7.330 -11.638 1.00 0.63 C ATOM 336 OH TYR A 350 -1.969 -6.677 -12.662 1.00 0.72 O ATOM 0 H TYR A 350 -6.347 -9.666 -10.246 1.00 0.26 H new ATOM 0 HA TYR A 350 -4.471 -11.446 -8.987 1.00 0.30 H new ATOM 0 HB2 TYR A 350 -5.387 -8.684 -8.056 1.00 0.40 H new ATOM 0 HB3 TYR A 350 -3.898 -9.498 -7.618 1.00 0.40 H new ATOM 0 HD1 TYR A 350 -2.187 -9.918 -9.529 1.00 0.54 H new ATOM 0 HD2 TYR A 350 -5.432 -7.207 -9.846 1.00 0.52 H new ATOM 0 HE1 TYR A 350 -1.058 -8.766 -11.372 1.00 0.61 H new ATOM 0 HE2 TYR A 350 -4.318 -6.039 -11.667 1.00 0.60 H new ATOM 0 HH TYR A 350 -2.523 -5.933 -12.978 1.00 0.72 H new ATOM 346 N GLU A 351 -7.180 -11.867 -7.814 1.00 0.22 N ATOM 347 CA GLU A 351 -7.983 -12.348 -6.677 1.00 0.23 C ATOM 348 C GLU A 351 -7.135 -13.153 -5.678 1.00 0.21 C ATOM 349 O GLU A 351 -7.433 -13.187 -4.482 1.00 0.25 O ATOM 350 CB GLU A 351 -9.165 -13.196 -7.147 1.00 0.31 C ATOM 351 CG GLU A 351 -8.768 -14.452 -7.891 1.00 0.36 C ATOM 352 CD GLU A 351 -9.917 -15.424 -8.011 1.00 0.97 C ATOM 353 OE1 GLU A 351 -10.840 -15.174 -8.815 1.00 1.22 O ATOM 354 OE2 GLU A 351 -9.917 -16.435 -7.280 1.00 1.45 O ATOM 0 H GLU A 351 -7.528 -12.138 -8.734 1.00 0.22 H new ATOM 0 HA GLU A 351 -8.364 -11.462 -6.170 1.00 0.23 H new ATOM 0 HB2 GLU A 351 -9.766 -13.474 -6.281 1.00 0.31 H new ATOM 0 HB3 GLU A 351 -9.799 -12.589 -7.793 1.00 0.31 H new ATOM 0 HG2 GLU A 351 -8.412 -14.187 -8.886 1.00 0.36 H new ATOM 0 HG3 GLU A 351 -7.938 -14.933 -7.373 1.00 0.36 H new ATOM 361 N ASN A 352 -6.078 -13.793 -6.170 1.00 0.22 N ATOM 362 CA ASN A 352 -5.173 -14.560 -5.320 1.00 0.24 C ATOM 363 C ASN A 352 -4.144 -13.628 -4.675 1.00 0.19 C ATOM 364 O ASN A 352 -3.307 -14.052 -3.885 1.00 0.21 O ATOM 365 CB ASN A 352 -4.461 -15.641 -6.142 1.00 0.32 C ATOM 366 CG ASN A 352 -3.649 -16.603 -5.294 1.00 0.62 C ATOM 367 OD1 ASN A 352 -2.543 -16.991 -5.667 1.00 1.06 O ATOM 368 ND2 ASN A 352 -4.203 -17.029 -4.173 1.00 1.06 N ATOM 0 H ASN A 352 -5.826 -13.795 -7.158 1.00 0.22 H new ATOM 0 HA ASN A 352 -5.754 -15.043 -4.535 1.00 0.24 H new ATOM 0 HB2 ASN A 352 -5.203 -16.204 -6.709 1.00 0.32 H new ATOM 0 HB3 ASN A 352 -3.803 -15.162 -6.867 1.00 0.32 H new ATOM 0 HD21 ASN A 352 -3.712 -17.702 -3.585 1.00 1.06 H new ATOM 0 HD22 ASN A 352 -5.122 -16.685 -3.896 1.00 1.06 H new ATOM 375 N PHE A 353 -4.213 -12.356 -5.037 1.00 0.16 N ATOM 376 CA PHE A 353 -3.368 -11.330 -4.445 1.00 0.14 C ATOM 377 C PHE A 353 -4.189 -10.490 -3.475 1.00 0.12 C ATOM 378 O PHE A 353 -3.746 -10.173 -2.374 1.00 0.11 O ATOM 379 CB PHE A 353 -2.776 -10.410 -5.520 1.00 0.16 C ATOM 380 CG PHE A 353 -1.772 -11.058 -6.434 1.00 0.19 C ATOM 381 CD1 PHE A 353 -2.141 -12.077 -7.295 1.00 0.30 C ATOM 382 CD2 PHE A 353 -0.456 -10.626 -6.438 1.00 0.21 C ATOM 383 CE1 PHE A 353 -1.215 -12.657 -8.140 1.00 0.34 C ATOM 384 CE2 PHE A 353 0.474 -11.200 -7.281 1.00 0.25 C ATOM 385 CZ PHE A 353 0.094 -12.217 -8.134 1.00 0.29 C ATOM 0 H PHE A 353 -4.855 -12.006 -5.748 1.00 0.16 H new ATOM 0 HA PHE A 353 -2.551 -11.827 -3.921 1.00 0.14 H new ATOM 0 HB2 PHE A 353 -3.591 -10.013 -6.125 1.00 0.16 H new ATOM 0 HB3 PHE A 353 -2.301 -9.561 -5.028 1.00 0.16 H new ATOM 0 HD1 PHE A 353 -3.164 -12.422 -7.306 1.00 0.30 H new ATOM 0 HD2 PHE A 353 -0.154 -9.830 -5.773 1.00 0.21 H new ATOM 0 HE1 PHE A 353 -1.514 -13.454 -8.805 1.00 0.34 H new ATOM 0 HE2 PHE A 353 1.497 -10.854 -7.273 1.00 0.25 H new ATOM 0 HZ PHE A 353 0.819 -12.668 -8.795 1.00 0.29 H new ATOM 395 N ILE A 354 -5.392 -10.131 -3.904 1.00 0.11 N ATOM 396 CA ILE A 354 -6.291 -9.317 -3.103 1.00 0.11 C ATOM 397 C ILE A 354 -7.739 -9.525 -3.549 1.00 0.12 C ATOM 398 O ILE A 354 -8.002 -9.729 -4.736 1.00 0.16 O ATOM 399 CB ILE A 354 -5.912 -7.828 -3.204 1.00 0.11 C ATOM 400 CG1 ILE A 354 -6.713 -7.016 -2.197 1.00 0.12 C ATOM 401 CG2 ILE A 354 -6.134 -7.305 -4.621 1.00 0.13 C ATOM 402 CD1 ILE A 354 -6.189 -5.621 -2.012 1.00 0.12 C ATOM 0 H ILE A 354 -5.769 -10.396 -4.814 1.00 0.11 H new ATOM 0 HA ILE A 354 -6.197 -9.627 -2.062 1.00 0.11 H new ATOM 0 HB ILE A 354 -4.852 -7.723 -2.972 1.00 0.11 H new ATOM 0 HG12 ILE A 354 -7.752 -6.967 -2.524 1.00 0.12 H new ATOM 0 HG13 ILE A 354 -6.705 -7.531 -1.236 1.00 0.12 H new ATOM 0 HG21 ILE A 354 -5.859 -6.251 -4.667 1.00 0.13 H new ATOM 0 HG22 ILE A 354 -5.517 -7.872 -5.319 1.00 0.13 H new ATOM 0 HG23 ILE A 354 -7.184 -7.418 -4.890 1.00 0.13 H new ATOM 0 HD11 ILE A 354 -6.804 -5.095 -1.282 1.00 0.12 H new ATOM 0 HD12 ILE A 354 -5.160 -5.663 -1.656 1.00 0.12 H new ATOM 0 HD13 ILE A 354 -6.223 -5.091 -2.964 1.00 0.12 H new ATOM 414 N ARG A 355 -8.672 -9.507 -2.602 1.00 0.12 N ATOM 415 CA ARG A 355 -10.079 -9.693 -2.928 1.00 0.14 C ATOM 416 C ARG A 355 -10.987 -9.063 -1.872 1.00 0.14 C ATOM 417 O ARG A 355 -10.612 -8.925 -0.707 1.00 0.15 O ATOM 418 CB ARG A 355 -10.399 -11.187 -3.066 1.00 0.18 C ATOM 419 CG ARG A 355 -10.158 -11.978 -1.789 1.00 0.24 C ATOM 420 CD ARG A 355 -10.552 -13.439 -1.931 1.00 0.40 C ATOM 421 NE ARG A 355 -9.761 -14.147 -2.934 1.00 0.90 N ATOM 422 CZ ARG A 355 -10.288 -14.846 -3.937 1.00 1.53 C ATOM 423 NH1 ARG A 355 -11.598 -14.810 -4.169 1.00 1.59 N ATOM 424 NH2 ARG A 355 -9.497 -15.567 -4.722 1.00 2.39 N ATOM 0 H ARG A 355 -8.480 -9.366 -1.610 1.00 0.12 H new ATOM 0 HA ARG A 355 -10.267 -9.193 -3.878 1.00 0.14 H new ATOM 0 HB2 ARG A 355 -11.441 -11.302 -3.364 1.00 0.18 H new ATOM 0 HB3 ARG A 355 -9.790 -11.609 -3.866 1.00 0.18 H new ATOM 0 HG2 ARG A 355 -9.104 -11.913 -1.518 1.00 0.24 H new ATOM 0 HG3 ARG A 355 -10.725 -11.529 -0.974 1.00 0.24 H new ATOM 0 HD2 ARG A 355 -10.437 -13.936 -0.968 1.00 0.40 H new ATOM 0 HD3 ARG A 355 -11.607 -13.501 -2.198 1.00 0.40 H new ATOM 0 HE ARG A 355 -8.745 -14.103 -2.862 1.00 0.90 H new ATOM 0 HH11 ARG A 355 -12.206 -14.244 -3.576 1.00 1.59 H new ATOM 0 HH12 ARG A 355 -11.994 -15.348 -4.939 1.00 1.59 H new ATOM 0 HH21 ARG A 355 -8.491 -15.584 -4.555 1.00 2.39 H new ATOM 0 HH22 ARG A 355 -9.895 -16.105 -5.492 1.00 2.39 H new ATOM 438 N TRP A 356 -12.173 -8.665 -2.312 1.00 0.15 N ATOM 439 CA TRP A 356 -13.210 -8.136 -1.433 1.00 0.16 C ATOM 440 C TRP A 356 -13.768 -9.196 -0.491 1.00 0.18 C ATOM 441 O TRP A 356 -13.945 -10.354 -0.872 1.00 0.25 O ATOM 442 CB TRP A 356 -14.359 -7.583 -2.269 1.00 0.18 C ATOM 443 CG TRP A 356 -14.046 -6.284 -2.923 1.00 0.18 C ATOM 444 CD1 TRP A 356 -13.873 -6.049 -4.253 1.00 0.21 C ATOM 445 CD2 TRP A 356 -13.865 -5.032 -2.265 1.00 0.16 C ATOM 446 NE1 TRP A 356 -13.613 -4.717 -4.458 1.00 0.22 N ATOM 447 CE2 TRP A 356 -13.604 -4.076 -3.250 1.00 0.19 C ATOM 448 CE3 TRP A 356 -13.905 -4.629 -0.936 1.00 0.15 C ATOM 449 CZ2 TRP A 356 -13.389 -2.740 -2.943 1.00 0.21 C ATOM 450 CZ3 TRP A 356 -13.685 -3.308 -0.633 1.00 0.17 C ATOM 451 CH2 TRP A 356 -13.431 -2.374 -1.632 1.00 0.20 C ATOM 0 H TRP A 356 -12.445 -8.700 -3.294 1.00 0.15 H new ATOM 0 HA TRP A 356 -12.749 -7.352 -0.832 1.00 0.16 H new ATOM 0 HB2 TRP A 356 -14.624 -8.312 -3.035 1.00 0.18 H new ATOM 0 HB3 TRP A 356 -15.234 -7.458 -1.632 1.00 0.18 H new ATOM 0 HD1 TRP A 356 -13.932 -6.798 -5.029 1.00 0.21 H new ATOM 0 HE1 TRP A 356 -13.453 -4.277 -5.364 1.00 0.22 H new ATOM 0 HE3 TRP A 356 -14.106 -5.345 -0.152 1.00 0.15 H new ATOM 0 HZ2 TRP A 356 -13.195 -2.014 -3.719 1.00 0.21 H new ATOM 0 HZ3 TRP A 356 -13.710 -2.989 0.398 1.00 0.17 H new ATOM 0 HH2 TRP A 356 -13.264 -1.341 -1.363 1.00 0.20 H new ATOM 462 N GLU A 357 -14.037 -8.775 0.735 1.00 0.18 N ATOM 463 CA GLU A 357 -14.760 -9.583 1.698 1.00 0.22 C ATOM 464 C GLU A 357 -16.173 -9.042 1.834 1.00 0.22 C ATOM 465 O GLU A 357 -17.157 -9.745 1.613 1.00 0.31 O ATOM 466 CB GLU A 357 -14.053 -9.537 3.042 1.00 0.25 C ATOM 467 CG GLU A 357 -12.701 -10.217 3.030 1.00 0.52 C ATOM 468 CD GLU A 357 -12.792 -11.729 2.994 1.00 0.45 C ATOM 469 OE1 GLU A 357 -13.647 -12.270 2.268 1.00 0.79 O ATOM 470 OE2 GLU A 357 -11.989 -12.386 3.686 1.00 0.73 O ATOM 0 H GLU A 357 -13.758 -7.860 1.089 1.00 0.18 H new ATOM 0 HA GLU A 357 -14.797 -10.618 1.358 1.00 0.22 H new ATOM 0 HB2 GLU A 357 -13.926 -8.497 3.343 1.00 0.25 H new ATOM 0 HB3 GLU A 357 -14.684 -10.012 3.793 1.00 0.25 H new ATOM 0 HG2 GLU A 357 -12.137 -9.873 2.163 1.00 0.52 H new ATOM 0 HG3 GLU A 357 -12.142 -9.914 3.915 1.00 0.52 H new ATOM 477 N ASP A 358 -16.246 -7.766 2.183 1.00 0.19 N ATOM 478 CA ASP A 358 -17.505 -7.040 2.248 1.00 0.22 C ATOM 479 C ASP A 358 -17.385 -5.793 1.395 1.00 0.20 C ATOM 480 O ASP A 358 -17.112 -4.712 1.908 1.00 0.22 O ATOM 481 CB ASP A 358 -17.859 -6.645 3.690 1.00 0.28 C ATOM 482 CG ASP A 358 -18.164 -7.834 4.580 1.00 1.02 C ATOM 483 OD1 ASP A 358 -19.269 -8.400 4.470 1.00 1.30 O ATOM 484 OD2 ASP A 358 -17.297 -8.214 5.393 1.00 2.07 O ATOM 0 H ASP A 358 -15.431 -7.204 2.430 1.00 0.19 H new ATOM 0 HA ASP A 358 -18.301 -7.687 1.879 1.00 0.22 H new ATOM 0 HB2 ASP A 358 -17.030 -6.082 4.119 1.00 0.28 H new ATOM 0 HB3 ASP A 358 -18.722 -5.980 3.676 1.00 0.28 H new ATOM 489 N LYS A 359 -17.568 -5.950 0.090 1.00 0.23 N ATOM 490 CA LYS A 359 -17.362 -4.859 -0.857 1.00 0.26 C ATOM 491 C LYS A 359 -18.274 -3.675 -0.555 1.00 0.28 C ATOM 492 O LYS A 359 -17.866 -2.523 -0.684 1.00 0.33 O ATOM 493 CB LYS A 359 -17.578 -5.352 -2.286 1.00 0.35 C ATOM 494 CG LYS A 359 -17.330 -4.290 -3.346 1.00 0.41 C ATOM 495 CD LYS A 359 -17.169 -4.909 -4.722 1.00 0.60 C ATOM 496 CE LYS A 359 -17.023 -3.848 -5.800 1.00 0.96 C ATOM 497 NZ LYS A 359 -18.240 -3.002 -5.922 1.00 1.65 N ATOM 0 H LYS A 359 -17.860 -6.828 -0.340 1.00 0.23 H new ATOM 0 HA LYS A 359 -16.333 -4.515 -0.753 1.00 0.26 H new ATOM 0 HB2 LYS A 359 -16.917 -6.199 -2.472 1.00 0.35 H new ATOM 0 HB3 LYS A 359 -18.600 -5.718 -2.384 1.00 0.35 H new ATOM 0 HG2 LYS A 359 -18.161 -3.584 -3.358 1.00 0.41 H new ATOM 0 HG3 LYS A 359 -16.434 -3.723 -3.093 1.00 0.41 H new ATOM 0 HD2 LYS A 359 -16.294 -5.558 -4.729 1.00 0.60 H new ATOM 0 HD3 LYS A 359 -18.033 -5.536 -4.943 1.00 0.60 H new ATOM 0 HE2 LYS A 359 -16.164 -3.216 -5.572 1.00 0.96 H new ATOM 0 HE3 LYS A 359 -16.820 -4.329 -6.756 1.00 0.96 H new ATOM 0 HZ1 LYS A 359 -18.206 -2.471 -6.816 1.00 1.65 H new ATOM 0 HZ2 LYS A 359 -19.086 -3.607 -5.911 1.00 1.65 H new ATOM 0 HZ3 LYS A 359 -18.281 -2.335 -5.125 1.00 1.65 H new ATOM 511 N GLU A 360 -19.499 -3.961 -0.139 1.00 0.32 N ATOM 512 CA GLU A 360 -20.442 -2.914 0.220 1.00 0.36 C ATOM 513 C GLU A 360 -19.941 -2.124 1.430 1.00 0.34 C ATOM 514 O GLU A 360 -20.063 -0.899 1.481 1.00 0.42 O ATOM 515 CB GLU A 360 -21.817 -3.518 0.506 1.00 0.45 C ATOM 516 CG GLU A 360 -22.879 -2.483 0.825 1.00 0.94 C ATOM 517 CD GLU A 360 -24.227 -3.106 1.096 1.00 1.10 C ATOM 518 OE1 GLU A 360 -24.483 -3.504 2.248 1.00 1.40 O ATOM 519 OE2 GLU A 360 -25.038 -3.209 0.155 1.00 1.33 O ATOM 0 H GLU A 360 -19.862 -4.909 -0.042 1.00 0.32 H new ATOM 0 HA GLU A 360 -20.530 -2.226 -0.621 1.00 0.36 H new ATOM 0 HB2 GLU A 360 -22.136 -4.100 -0.359 1.00 0.45 H new ATOM 0 HB3 GLU A 360 -21.733 -4.211 1.343 1.00 0.45 H new ATOM 0 HG2 GLU A 360 -22.568 -1.904 1.694 1.00 0.94 H new ATOM 0 HG3 GLU A 360 -22.965 -1.786 -0.008 1.00 0.94 H new ATOM 526 N SER A 361 -19.367 -2.829 2.394 1.00 0.28 N ATOM 527 CA SER A 361 -18.802 -2.200 3.579 1.00 0.27 C ATOM 528 C SER A 361 -17.416 -1.619 3.297 1.00 0.23 C ATOM 529 O SER A 361 -16.901 -0.823 4.082 1.00 0.25 O ATOM 530 CB SER A 361 -18.722 -3.226 4.710 1.00 0.29 C ATOM 531 OG SER A 361 -20.013 -3.564 5.191 1.00 1.10 O ATOM 0 H SER A 361 -19.280 -3.845 2.378 1.00 0.28 H new ATOM 0 HA SER A 361 -19.452 -1.376 3.874 1.00 0.27 H new ATOM 0 HB2 SER A 361 -18.217 -4.124 4.354 1.00 0.29 H new ATOM 0 HB3 SER A 361 -18.121 -2.825 5.526 1.00 0.29 H new ATOM 0 HG SER A 361 -19.931 -4.223 5.912 1.00 1.10 H new ATOM 537 N LYS A 362 -16.845 -2.017 2.157 1.00 0.20 N ATOM 538 CA LYS A 362 -15.492 -1.627 1.749 1.00 0.19 C ATOM 539 C LYS A 362 -14.439 -2.348 2.588 1.00 0.15 C ATOM 540 O LYS A 362 -13.334 -1.846 2.799 1.00 0.16 O ATOM 541 CB LYS A 362 -15.306 -0.107 1.807 1.00 0.24 C ATOM 542 CG LYS A 362 -16.275 0.637 0.906 1.00 0.33 C ATOM 543 CD LYS A 362 -16.053 0.284 -0.555 1.00 0.46 C ATOM 544 CE LYS A 362 -17.191 0.766 -1.439 1.00 1.22 C ATOM 545 NZ LYS A 362 -17.167 2.239 -1.632 1.00 1.83 N ATOM 0 H LYS A 362 -17.313 -2.625 1.485 1.00 0.20 H new ATOM 0 HA LYS A 362 -15.358 -1.931 0.711 1.00 0.19 H new ATOM 0 HB2 LYS A 362 -15.438 0.232 2.834 1.00 0.24 H new ATOM 0 HB3 LYS A 362 -14.285 0.141 1.519 1.00 0.24 H new ATOM 0 HG2 LYS A 362 -17.299 0.393 1.190 1.00 0.33 H new ATOM 0 HG3 LYS A 362 -16.153 1.711 1.045 1.00 0.33 H new ATOM 0 HD2 LYS A 362 -15.117 0.727 -0.896 1.00 0.46 H new ATOM 0 HD3 LYS A 362 -15.950 -0.797 -0.655 1.00 0.46 H new ATOM 0 HE2 LYS A 362 -17.129 0.273 -2.409 1.00 1.22 H new ATOM 0 HE3 LYS A 362 -18.143 0.475 -0.994 1.00 1.22 H new ATOM 0 HZ1 LYS A 362 -18.047 2.543 -2.095 1.00 1.83 H new ATOM 0 HZ2 LYS A 362 -17.082 2.709 -0.708 1.00 1.83 H new ATOM 0 HZ3 LYS A 362 -16.355 2.498 -2.228 1.00 1.83 H new ATOM 559 N ILE A 363 -14.795 -3.539 3.051 1.00 0.14 N ATOM 560 CA ILE A 363 -13.875 -4.395 3.789 1.00 0.13 C ATOM 561 C ILE A 363 -13.204 -5.345 2.800 1.00 0.11 C ATOM 562 O ILE A 363 -13.876 -6.137 2.134 1.00 0.14 O ATOM 563 CB ILE A 363 -14.599 -5.216 4.900 1.00 0.15 C ATOM 564 CG1 ILE A 363 -15.023 -4.351 6.101 1.00 0.19 C ATOM 565 CG2 ILE A 363 -13.702 -6.336 5.404 1.00 0.17 C ATOM 566 CD1 ILE A 363 -15.682 -3.045 5.761 1.00 0.19 C ATOM 0 H ILE A 363 -15.725 -3.938 2.926 1.00 0.14 H new ATOM 0 HA ILE A 363 -13.138 -3.764 4.286 1.00 0.13 H new ATOM 0 HB ILE A 363 -15.499 -5.623 4.439 1.00 0.15 H new ATOM 0 HG12 ILE A 363 -15.707 -4.932 6.720 1.00 0.19 H new ATOM 0 HG13 ILE A 363 -14.141 -4.145 6.707 1.00 0.19 H new ATOM 0 HG21 ILE A 363 -14.223 -6.899 6.179 1.00 0.17 H new ATOM 0 HG22 ILE A 363 -13.452 -7.002 4.578 1.00 0.17 H new ATOM 0 HG23 ILE A 363 -12.787 -5.911 5.817 1.00 0.17 H new ATOM 0 HD11 ILE A 363 -15.939 -2.517 6.679 1.00 0.19 H new ATOM 0 HD12 ILE A 363 -14.998 -2.435 5.171 1.00 0.19 H new ATOM 0 HD13 ILE A 363 -16.588 -3.234 5.185 1.00 0.19 H new ATOM 578 N PHE A 364 -11.890 -5.261 2.694 1.00 0.09 N ATOM 579 CA PHE A 364 -11.172 -5.993 1.663 1.00 0.08 C ATOM 580 C PHE A 364 -10.003 -6.766 2.263 1.00 0.08 C ATOM 581 O PHE A 364 -9.391 -6.325 3.236 1.00 0.09 O ATOM 582 CB PHE A 364 -10.674 -5.023 0.587 1.00 0.09 C ATOM 583 CG PHE A 364 -9.460 -4.233 0.988 1.00 0.09 C ATOM 584 CD1 PHE A 364 -9.562 -3.173 1.871 1.00 0.09 C ATOM 585 CD2 PHE A 364 -8.214 -4.560 0.484 1.00 0.10 C ATOM 586 CE1 PHE A 364 -8.441 -2.450 2.239 1.00 0.10 C ATOM 587 CE2 PHE A 364 -7.092 -3.844 0.848 1.00 0.10 C ATOM 588 CZ PHE A 364 -7.203 -2.789 1.725 1.00 0.10 C ATOM 0 H PHE A 364 -11.300 -4.697 3.305 1.00 0.09 H new ATOM 0 HA PHE A 364 -11.854 -6.711 1.207 1.00 0.08 H new ATOM 0 HB2 PHE A 364 -10.445 -5.587 -0.317 1.00 0.09 H new ATOM 0 HB3 PHE A 364 -11.478 -4.331 0.336 1.00 0.09 H new ATOM 0 HD1 PHE A 364 -10.527 -2.907 2.277 1.00 0.09 H new ATOM 0 HD2 PHE A 364 -8.118 -5.387 -0.204 1.00 0.10 H new ATOM 0 HE1 PHE A 364 -8.533 -1.622 2.927 1.00 0.10 H new ATOM 0 HE2 PHE A 364 -6.127 -4.111 0.445 1.00 0.10 H new ATOM 0 HZ PHE A 364 -6.326 -2.228 2.011 1.00 0.10 H new ATOM 598 N ARG A 365 -9.693 -7.913 1.677 1.00 0.08 N ATOM 599 CA ARG A 365 -8.632 -8.763 2.180 1.00 0.09 C ATOM 600 C ARG A 365 -7.454 -8.764 1.242 1.00 0.09 C ATOM 601 O ARG A 365 -7.606 -8.961 0.035 1.00 0.10 O ATOM 602 CB ARG A 365 -9.107 -10.204 2.336 1.00 0.13 C ATOM 603 CG ARG A 365 -8.027 -11.139 2.862 1.00 0.20 C ATOM 604 CD ARG A 365 -8.217 -12.573 2.391 1.00 0.26 C ATOM 605 NE ARG A 365 -9.604 -13.020 2.483 1.00 0.58 N ATOM 606 CZ ARG A 365 -10.080 -14.087 1.849 1.00 0.73 C ATOM 607 NH1 ARG A 365 -9.275 -14.834 1.100 1.00 1.04 N ATOM 608 NH2 ARG A 365 -11.360 -14.406 1.972 1.00 1.14 N ATOM 0 H ARG A 365 -10.166 -8.275 0.849 1.00 0.08 H new ATOM 0 HA ARG A 365 -8.340 -8.361 3.150 1.00 0.09 H new ATOM 0 HB2 ARG A 365 -9.960 -10.227 3.014 1.00 0.13 H new ATOM 0 HB3 ARG A 365 -9.457 -10.571 1.371 1.00 0.13 H new ATOM 0 HG2 ARG A 365 -7.050 -10.780 2.537 1.00 0.20 H new ATOM 0 HG3 ARG A 365 -8.029 -11.115 3.952 1.00 0.20 H new ATOM 0 HD2 ARG A 365 -7.880 -12.659 1.358 1.00 0.26 H new ATOM 0 HD3 ARG A 365 -7.587 -13.233 2.987 1.00 0.26 H new ATOM 0 HE ARG A 365 -10.244 -12.483 3.067 1.00 0.58 H new ATOM 0 HH11 ARG A 365 -8.289 -14.589 1.010 1.00 1.04 H new ATOM 0 HH12 ARG A 365 -9.643 -15.652 0.615 1.00 1.04 H new ATOM 0 HH21 ARG A 365 -11.975 -13.834 2.551 1.00 1.14 H new ATOM 0 HH22 ARG A 365 -11.731 -15.224 1.488 1.00 1.14 H new ATOM 622 N ILE A 366 -6.282 -8.571 1.801 1.00 0.09 N ATOM 623 CA ILE A 366 -5.067 -8.780 1.056 1.00 0.09 C ATOM 624 C ILE A 366 -4.684 -10.244 1.153 1.00 0.09 C ATOM 625 O ILE A 366 -4.334 -10.753 2.221 1.00 0.12 O ATOM 626 CB ILE A 366 -3.939 -7.855 1.531 1.00 0.10 C ATOM 627 CG1 ILE A 366 -4.257 -6.431 1.058 1.00 0.11 C ATOM 628 CG2 ILE A 366 -2.588 -8.337 1.014 1.00 0.09 C ATOM 629 CD1 ILE A 366 -3.224 -5.394 1.422 1.00 0.12 C ATOM 0 H ILE A 366 -6.146 -8.271 2.766 1.00 0.09 H new ATOM 0 HA ILE A 366 -5.237 -8.525 0.010 1.00 0.09 H new ATOM 0 HB ILE A 366 -3.875 -7.866 2.619 1.00 0.10 H new ATOM 0 HG12 ILE A 366 -4.373 -6.442 -0.026 1.00 0.11 H new ATOM 0 HG13 ILE A 366 -5.216 -6.130 1.479 1.00 0.11 H new ATOM 0 HG21 ILE A 366 -1.804 -7.665 1.364 1.00 0.09 H new ATOM 0 HG22 ILE A 366 -2.395 -9.344 1.384 1.00 0.09 H new ATOM 0 HG23 ILE A 366 -2.598 -8.347 -0.076 1.00 0.09 H new ATOM 0 HD11 ILE A 366 -3.537 -4.420 1.045 1.00 0.12 H new ATOM 0 HD12 ILE A 366 -3.122 -5.347 2.506 1.00 0.12 H new ATOM 0 HD13 ILE A 366 -2.266 -5.664 0.978 1.00 0.12 H new ATOM 641 N VAL A 367 -4.803 -10.913 0.028 1.00 0.10 N ATOM 642 CA VAL A 367 -4.711 -12.357 -0.038 1.00 0.12 C ATOM 643 C VAL A 367 -3.259 -12.814 -0.117 1.00 0.13 C ATOM 644 O VAL A 367 -2.844 -13.720 0.603 1.00 0.19 O ATOM 645 CB VAL A 367 -5.517 -12.873 -1.245 1.00 0.15 C ATOM 646 CG1 VAL A 367 -5.261 -14.340 -1.491 1.00 0.17 C ATOM 647 CG2 VAL A 367 -6.996 -12.639 -1.011 1.00 0.20 C ATOM 0 H VAL A 367 -4.968 -10.468 -0.875 1.00 0.10 H new ATOM 0 HA VAL A 367 -5.134 -12.776 0.875 1.00 0.12 H new ATOM 0 HB VAL A 367 -5.194 -12.323 -2.129 1.00 0.15 H new ATOM 0 HG11 VAL A 367 -5.845 -14.672 -2.349 1.00 0.17 H new ATOM 0 HG12 VAL A 367 -4.201 -14.496 -1.691 1.00 0.17 H new ATOM 0 HG13 VAL A 367 -5.552 -14.913 -0.611 1.00 0.17 H new ATOM 0 HG21 VAL A 367 -7.562 -13.005 -1.867 1.00 0.20 H new ATOM 0 HG22 VAL A 367 -7.311 -13.171 -0.113 1.00 0.20 H new ATOM 0 HG23 VAL A 367 -7.180 -11.572 -0.884 1.00 0.20 H new ATOM 657 N ASP A 368 -2.493 -12.166 -0.972 1.00 0.12 N ATOM 658 CA ASP A 368 -1.071 -12.447 -1.087 1.00 0.13 C ATOM 659 C ASP A 368 -0.294 -11.161 -0.929 1.00 0.12 C ATOM 660 O ASP A 368 0.016 -10.477 -1.901 1.00 0.12 O ATOM 661 CB ASP A 368 -0.735 -13.110 -2.423 1.00 0.18 C ATOM 662 CG ASP A 368 0.682 -13.645 -2.465 1.00 0.25 C ATOM 663 OD1 ASP A 368 1.597 -12.873 -2.822 1.00 0.50 O ATOM 664 OD2 ASP A 368 0.895 -14.829 -2.132 1.00 0.52 O ATOM 0 H ASP A 368 -2.831 -11.438 -1.601 1.00 0.12 H new ATOM 0 HA ASP A 368 -0.792 -13.145 -0.298 1.00 0.13 H new ATOM 0 HB2 ASP A 368 -1.434 -13.926 -2.606 1.00 0.18 H new ATOM 0 HB3 ASP A 368 -0.871 -12.388 -3.228 1.00 0.18 H new ATOM 669 N PRO A 369 -0.010 -10.805 0.323 1.00 0.11 N ATOM 670 CA PRO A 369 0.632 -9.550 0.679 1.00 0.11 C ATOM 671 C PRO A 369 1.959 -9.307 -0.028 1.00 0.12 C ATOM 672 O PRO A 369 2.252 -8.181 -0.429 1.00 0.14 O ATOM 673 CB PRO A 369 0.819 -9.684 2.192 1.00 0.13 C ATOM 674 CG PRO A 369 -0.283 -10.564 2.589 1.00 0.13 C ATOM 675 CD PRO A 369 -0.342 -11.586 1.517 1.00 0.13 C ATOM 0 HA PRO A 369 0.033 -8.691 0.376 1.00 0.11 H new ATOM 0 HB2 PRO A 369 1.789 -10.115 2.441 1.00 0.13 H new ATOM 0 HB3 PRO A 369 0.762 -8.717 2.692 1.00 0.13 H new ATOM 0 HG2 PRO A 369 -0.098 -11.019 3.562 1.00 0.13 H new ATOM 0 HG3 PRO A 369 -1.222 -10.015 2.667 1.00 0.13 H new ATOM 0 HD2 PRO A 369 0.370 -12.394 1.686 1.00 0.13 H new ATOM 0 HD3 PRO A 369 -1.329 -12.042 1.443 1.00 0.13 H new ATOM 683 N ASN A 370 2.753 -10.356 -0.190 1.00 0.15 N ATOM 684 CA ASN A 370 4.040 -10.227 -0.875 1.00 0.18 C ATOM 685 C ASN A 370 3.815 -9.768 -2.309 1.00 0.16 C ATOM 686 O ASN A 370 4.423 -8.805 -2.772 1.00 0.17 O ATOM 687 CB ASN A 370 4.793 -11.555 -0.882 1.00 0.25 C ATOM 688 CG ASN A 370 6.198 -11.421 -1.448 1.00 0.43 C ATOM 689 OD1 ASN A 370 6.426 -11.631 -2.640 1.00 1.13 O ATOM 690 ND2 ASN A 370 7.145 -11.051 -0.599 1.00 0.99 N ATOM 0 H ASN A 370 2.536 -11.297 0.138 1.00 0.15 H new ATOM 0 HA ASN A 370 4.639 -9.491 -0.338 1.00 0.18 H new ATOM 0 HB2 ASN A 370 4.849 -11.943 0.135 1.00 0.25 H new ATOM 0 HB3 ASN A 370 4.235 -12.283 -1.471 1.00 0.25 H new ATOM 0 HD21 ASN A 370 8.104 -10.930 -0.925 1.00 0.99 H new ATOM 0 HD22 ASN A 370 6.915 -10.887 0.381 1.00 0.99 H new ATOM 697 N GLY A 371 2.909 -10.458 -2.990 1.00 0.16 N ATOM 698 CA GLY A 371 2.579 -10.125 -4.363 1.00 0.17 C ATOM 699 C GLY A 371 1.853 -8.799 -4.484 1.00 0.14 C ATOM 700 O GLY A 371 2.041 -8.075 -5.459 1.00 0.16 O ATOM 0 H GLY A 371 2.392 -11.251 -2.611 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.494 -10.089 -4.954 1.00 0.17 H new ATOM 0 HA3 GLY A 371 1.958 -10.915 -4.785 1.00 0.17 H new ATOM 704 N LEU A 372 1.021 -8.486 -3.497 1.00 0.13 N ATOM 705 CA LEU A 372 0.321 -7.207 -3.462 1.00 0.12 C ATOM 706 C LEU A 372 1.347 -6.077 -3.402 1.00 0.12 C ATOM 707 O LEU A 372 1.261 -5.096 -4.145 1.00 0.12 O ATOM 708 CB LEU A 372 -0.615 -7.160 -2.247 1.00 0.12 C ATOM 709 CG LEU A 372 -1.887 -6.323 -2.406 1.00 0.11 C ATOM 710 CD1 LEU A 372 -1.573 -4.850 -2.621 1.00 0.11 C ATOM 711 CD2 LEU A 372 -2.718 -6.860 -3.557 1.00 0.14 C ATOM 0 H LEU A 372 0.815 -9.101 -2.710 1.00 0.13 H new ATOM 0 HA LEU A 372 -0.283 -7.088 -4.362 1.00 0.12 H new ATOM 0 HB2 LEU A 372 -0.905 -8.181 -1.998 1.00 0.12 H new ATOM 0 HB3 LEU A 372 -0.054 -6.772 -1.397 1.00 0.12 H new ATOM 0 HG LEU A 372 -2.457 -6.402 -1.480 1.00 0.11 H new ATOM 0 HD11 LEU A 372 -2.503 -4.292 -2.729 1.00 0.11 H new ATOM 0 HD12 LEU A 372 -1.018 -4.468 -1.765 1.00 0.11 H new ATOM 0 HD13 LEU A 372 -0.973 -4.734 -3.524 1.00 0.11 H new ATOM 0 HD21 LEU A 372 -3.622 -6.260 -3.664 1.00 0.14 H new ATOM 0 HD22 LEU A 372 -2.138 -6.811 -4.479 1.00 0.14 H new ATOM 0 HD23 LEU A 372 -2.992 -7.896 -3.356 1.00 0.14 H new ATOM 723 N ALA A 373 2.331 -6.249 -2.528 1.00 0.13 N ATOM 724 CA ALA A 373 3.448 -5.326 -2.436 1.00 0.16 C ATOM 725 C ALA A 373 4.181 -5.265 -3.765 1.00 0.18 C ATOM 726 O ALA A 373 4.525 -4.184 -4.237 1.00 0.22 O ATOM 727 CB ALA A 373 4.396 -5.772 -1.346 1.00 0.18 C ATOM 0 H ALA A 373 2.375 -7.027 -1.869 1.00 0.13 H new ATOM 0 HA ALA A 373 3.069 -4.333 -2.194 1.00 0.16 H new ATOM 0 HB1 ALA A 373 5.232 -5.075 -1.283 1.00 0.18 H new ATOM 0 HB2 ALA A 373 3.869 -5.794 -0.392 1.00 0.18 H new ATOM 0 HB3 ALA A 373 4.772 -6.769 -1.576 1.00 0.18 H new ATOM 733 N ARG A 374 4.417 -6.442 -4.361 1.00 0.19 N ATOM 734 CA ARG A 374 5.104 -6.541 -5.648 1.00 0.24 C ATOM 735 C ARG A 374 4.430 -5.668 -6.689 1.00 0.19 C ATOM 736 O ARG A 374 5.092 -4.955 -7.441 1.00 0.21 O ATOM 737 CB ARG A 374 5.132 -7.985 -6.139 1.00 0.33 C ATOM 738 CG ARG A 374 6.072 -8.884 -5.359 1.00 0.67 C ATOM 739 CD ARG A 374 7.526 -8.497 -5.568 1.00 0.92 C ATOM 740 NE ARG A 374 8.443 -9.565 -5.168 1.00 1.47 N ATOM 741 CZ ARG A 374 9.740 -9.385 -4.929 1.00 1.99 C ATOM 742 NH1 ARG A 374 10.273 -8.170 -4.997 1.00 2.45 N ATOM 743 NH2 ARG A 374 10.507 -10.427 -4.631 1.00 2.67 N ATOM 0 H ARG A 374 4.139 -7.341 -3.967 1.00 0.19 H new ATOM 0 HA ARG A 374 6.127 -6.195 -5.502 1.00 0.24 H new ATOM 0 HB2 ARG A 374 4.124 -8.396 -6.084 1.00 0.33 H new ATOM 0 HB3 ARG A 374 5.424 -7.995 -7.189 1.00 0.33 H new ATOM 0 HG2 ARG A 374 5.830 -8.829 -4.298 1.00 0.67 H new ATOM 0 HG3 ARG A 374 5.924 -9.919 -5.667 1.00 0.67 H new ATOM 0 HD2 ARG A 374 7.689 -8.254 -6.618 1.00 0.92 H new ATOM 0 HD3 ARG A 374 7.747 -7.597 -4.995 1.00 0.92 H new ATOM 0 HE ARG A 374 8.064 -10.507 -5.066 1.00 1.47 H new ATOM 0 HH11 ARG A 374 9.688 -7.369 -5.233 1.00 2.45 H new ATOM 0 HH12 ARG A 374 11.268 -8.038 -4.813 1.00 2.45 H new ATOM 0 HH21 ARG A 374 10.102 -11.362 -4.586 1.00 2.67 H new ATOM 0 HH22 ARG A 374 11.501 -10.292 -4.447 1.00 2.67 H new ATOM 757 N LEU A 375 3.109 -5.727 -6.713 1.00 0.17 N ATOM 758 CA LEU A 375 2.314 -4.921 -7.622 1.00 0.18 C ATOM 759 C LEU A 375 2.537 -3.433 -7.360 1.00 0.19 C ATOM 760 O LEU A 375 2.793 -2.653 -8.280 1.00 0.22 O ATOM 761 CB LEU A 375 0.832 -5.272 -7.458 1.00 0.18 C ATOM 762 CG LEU A 375 0.456 -6.695 -7.872 1.00 0.21 C ATOM 763 CD1 LEU A 375 -0.967 -7.020 -7.456 1.00 0.23 C ATOM 764 CD2 LEU A 375 0.608 -6.866 -9.372 1.00 0.26 C ATOM 0 H LEU A 375 2.559 -6.334 -6.104 1.00 0.17 H new ATOM 0 HA LEU A 375 2.624 -5.136 -8.645 1.00 0.18 H new ATOM 0 HB2 LEU A 375 0.553 -5.128 -6.414 1.00 0.18 H new ATOM 0 HB3 LEU A 375 0.241 -4.570 -8.046 1.00 0.18 H new ATOM 0 HG LEU A 375 1.131 -7.384 -7.365 1.00 0.21 H new ATOM 0 HD11 LEU A 375 -1.212 -8.037 -7.761 1.00 0.23 H new ATOM 0 HD12 LEU A 375 -1.058 -6.934 -6.373 1.00 0.23 H new ATOM 0 HD13 LEU A 375 -1.654 -6.322 -7.934 1.00 0.23 H new ATOM 0 HD21 LEU A 375 0.337 -7.884 -9.651 1.00 0.26 H new ATOM 0 HD22 LEU A 375 -0.046 -6.162 -9.887 1.00 0.26 H new ATOM 0 HD23 LEU A 375 1.643 -6.675 -9.657 1.00 0.26 H new ATOM 776 N TRP A 376 2.457 -3.057 -6.095 1.00 0.18 N ATOM 777 CA TRP A 376 2.582 -1.663 -5.693 1.00 0.20 C ATOM 778 C TRP A 376 4.015 -1.143 -5.916 1.00 0.25 C ATOM 779 O TRP A 376 4.200 -0.036 -6.433 1.00 0.30 O ATOM 780 CB TRP A 376 2.133 -1.526 -4.236 1.00 0.20 C ATOM 781 CG TRP A 376 2.153 -0.125 -3.718 1.00 0.20 C ATOM 782 CD1 TRP A 376 1.283 0.880 -4.032 1.00 0.20 C ATOM 783 CD2 TRP A 376 3.074 0.419 -2.772 1.00 0.24 C ATOM 784 NE1 TRP A 376 1.631 2.029 -3.357 1.00 0.23 N ATOM 785 CE2 TRP A 376 2.724 1.767 -2.572 1.00 0.26 C ATOM 786 CE3 TRP A 376 4.165 -0.106 -2.079 1.00 0.29 C ATOM 787 CZ2 TRP A 376 3.431 2.595 -1.704 1.00 0.31 C ATOM 788 CZ3 TRP A 376 4.861 0.714 -1.217 1.00 0.34 C ATOM 789 CH2 TRP A 376 4.493 2.052 -1.036 1.00 0.35 C ATOM 0 H TRP A 376 2.305 -3.703 -5.321 1.00 0.18 H new ATOM 0 HA TRP A 376 1.937 -1.042 -6.315 1.00 0.20 H new ATOM 0 HB2 TRP A 376 1.122 -1.922 -4.140 1.00 0.20 H new ATOM 0 HB3 TRP A 376 2.778 -2.142 -3.609 1.00 0.20 H new ATOM 0 HD1 TRP A 376 0.447 0.787 -4.709 1.00 0.20 H new ATOM 0 HE1 TRP A 376 1.154 2.928 -3.429 1.00 0.23 H new ATOM 0 HE3 TRP A 376 4.459 -1.136 -2.215 1.00 0.29 H new ATOM 0 HZ2 TRP A 376 3.151 3.628 -1.564 1.00 0.31 H new ATOM 0 HZ3 TRP A 376 5.705 0.317 -0.672 1.00 0.34 H new ATOM 0 HH2 TRP A 376 5.060 2.669 -0.354 1.00 0.35 H new ATOM 800 N GLY A 377 5.021 -1.936 -5.529 1.00 0.27 N ATOM 801 CA GLY A 377 6.402 -1.641 -5.886 1.00 0.33 C ATOM 802 C GLY A 377 6.570 -1.482 -7.385 1.00 0.38 C ATOM 803 O GLY A 377 7.216 -0.544 -7.846 1.00 0.41 O ATOM 0 H GLY A 377 4.900 -2.781 -4.971 1.00 0.27 H new ATOM 0 HA2 GLY A 377 6.721 -0.727 -5.385 1.00 0.33 H new ATOM 0 HA3 GLY A 377 7.050 -2.442 -5.530 1.00 0.33 H new ATOM 807 N ASN A 378 5.958 -2.394 -8.136 1.00 0.41 N ATOM 808 CA ASN A 378 6.015 -2.392 -9.601 1.00 0.50 C ATOM 809 C ASN A 378 5.533 -1.061 -10.175 1.00 0.51 C ATOM 810 O ASN A 378 6.133 -0.523 -11.108 1.00 0.62 O ATOM 811 CB ASN A 378 5.160 -3.539 -10.151 1.00 0.54 C ATOM 812 CG ASN A 378 5.142 -3.613 -11.669 1.00 0.72 C ATOM 813 OD1 ASN A 378 6.111 -3.257 -12.335 1.00 0.89 O ATOM 814 ND2 ASN A 378 4.035 -4.093 -12.225 1.00 1.06 N ATOM 0 H ASN A 378 5.406 -3.159 -7.748 1.00 0.41 H new ATOM 0 HA ASN A 378 7.053 -2.530 -9.902 1.00 0.50 H new ATOM 0 HB2 ASN A 378 5.535 -4.483 -9.754 1.00 0.54 H new ATOM 0 HB3 ASN A 378 4.138 -3.425 -9.789 1.00 0.54 H new ATOM 0 HD21 ASN A 378 3.969 -4.176 -13.239 1.00 1.06 H new ATOM 0 HD22 ASN A 378 3.251 -4.378 -11.637 1.00 1.06 H new ATOM 821 N HIS A 379 4.457 -0.528 -9.602 1.00 0.44 N ATOM 822 CA HIS A 379 3.879 0.734 -10.061 1.00 0.49 C ATOM 823 C HIS A 379 4.912 1.859 -10.002 1.00 0.53 C ATOM 824 O HIS A 379 4.995 2.689 -10.907 1.00 0.67 O ATOM 825 CB HIS A 379 2.657 1.098 -9.214 1.00 0.51 C ATOM 826 CG HIS A 379 1.858 2.249 -9.755 1.00 0.61 C ATOM 827 ND1 HIS A 379 0.791 2.046 -10.592 1.00 0.70 N ATOM 828 CD2 HIS A 379 2.003 3.582 -9.543 1.00 0.78 C ATOM 829 CE1 HIS A 379 0.310 3.245 -10.869 1.00 0.84 C ATOM 830 NE2 HIS A 379 1.012 4.209 -10.255 1.00 0.89 N ATOM 0 H HIS A 379 3.965 -0.952 -8.815 1.00 0.44 H new ATOM 0 HA HIS A 379 3.567 0.607 -11.098 1.00 0.49 H new ATOM 0 HB2 HIS A 379 2.009 0.225 -9.136 1.00 0.51 H new ATOM 0 HB3 HIS A 379 2.987 1.342 -8.204 1.00 0.51 H new ATOM 0 HD1 HIS A 379 0.440 1.151 -10.932 1.00 0.70 H new ATOM 0 HD2 HIS A 379 2.755 4.058 -8.931 1.00 0.78 H new ATOM 0 HE1 HIS A 379 -0.541 3.426 -11.509 1.00 0.84 H new ATOM 838 N LYS A 380 5.700 1.876 -8.935 1.00 0.47 N ATOM 839 CA LYS A 380 6.723 2.890 -8.757 1.00 0.55 C ATOM 840 C LYS A 380 8.072 2.454 -9.327 1.00 0.56 C ATOM 841 O LYS A 380 9.080 3.128 -9.114 1.00 0.70 O ATOM 842 CB LYS A 380 6.886 3.231 -7.279 1.00 0.62 C ATOM 843 CG LYS A 380 5.958 4.326 -6.784 1.00 0.79 C ATOM 844 CD LYS A 380 4.510 3.888 -6.705 1.00 0.75 C ATOM 845 CE LYS A 380 3.736 4.784 -5.745 1.00 0.84 C ATOM 846 NZ LYS A 380 2.283 4.470 -5.692 1.00 1.36 N ATOM 0 H LYS A 380 5.647 1.194 -8.178 1.00 0.47 H new ATOM 0 HA LYS A 380 6.393 3.772 -9.306 1.00 0.55 H new ATOM 0 HB2 LYS A 380 6.713 2.331 -6.689 1.00 0.62 H new ATOM 0 HB3 LYS A 380 7.917 3.536 -7.100 1.00 0.62 H new ATOM 0 HG2 LYS A 380 6.286 4.654 -5.798 1.00 0.79 H new ATOM 0 HG3 LYS A 380 6.035 5.187 -7.448 1.00 0.79 H new ATOM 0 HD2 LYS A 380 4.057 3.928 -7.695 1.00 0.75 H new ATOM 0 HD3 LYS A 380 4.454 2.852 -6.371 1.00 0.75 H new ATOM 0 HE2 LYS A 380 4.159 4.685 -4.745 1.00 0.84 H new ATOM 0 HE3 LYS A 380 3.866 5.824 -6.045 1.00 0.84 H new ATOM 0 HZ1 LYS A 380 1.946 4.552 -4.712 1.00 1.36 H new ATOM 0 HZ2 LYS A 380 1.761 5.138 -6.295 1.00 1.36 H new ATOM 0 HZ3 LYS A 380 2.125 3.500 -6.032 1.00 1.36 H new ATOM 860 N ASN A 381 8.084 1.323 -10.038 1.00 0.52 N ATOM 861 CA ASN A 381 9.316 0.765 -10.604 1.00 0.60 C ATOM 862 C ASN A 381 10.318 0.466 -9.483 1.00 0.59 C ATOM 863 O ASN A 381 11.524 0.683 -9.607 1.00 0.76 O ATOM 864 CB ASN A 381 9.912 1.723 -11.644 1.00 0.76 C ATOM 865 CG ASN A 381 11.116 1.154 -12.379 1.00 1.50 C ATOM 866 OD1 ASN A 381 11.242 -0.060 -12.563 1.00 2.30 O ATOM 867 ND2 ASN A 381 12.007 2.034 -12.812 1.00 2.17 N ATOM 0 H ASN A 381 7.249 0.773 -10.236 1.00 0.52 H new ATOM 0 HA ASN A 381 9.083 -0.171 -11.112 1.00 0.60 H new ATOM 0 HB2 ASN A 381 9.142 1.981 -12.371 1.00 0.76 H new ATOM 0 HB3 ASN A 381 10.204 2.648 -11.148 1.00 0.76 H new ATOM 0 HD21 ASN A 381 12.834 1.716 -13.318 1.00 2.17 H new ATOM 0 HD22 ASN A 381 11.866 3.029 -12.640 1.00 2.17 H new ATOM 874 N ARG A 382 9.792 -0.030 -8.373 1.00 0.49 N ATOM 875 CA ARG A 382 10.599 -0.325 -7.205 1.00 0.55 C ATOM 876 C ARG A 382 10.901 -1.812 -7.104 1.00 0.67 C ATOM 877 O ARG A 382 10.032 -2.656 -7.308 1.00 0.79 O ATOM 878 CB ARG A 382 9.901 0.181 -5.945 1.00 0.51 C ATOM 879 CG ARG A 382 10.073 1.669 -5.739 1.00 0.70 C ATOM 880 CD ARG A 382 11.532 2.085 -5.878 1.00 1.09 C ATOM 881 NE ARG A 382 11.722 3.526 -5.719 1.00 1.88 N ATOM 882 CZ ARG A 382 12.348 4.302 -6.611 1.00 2.39 C ATOM 883 NH1 ARG A 382 12.809 3.793 -7.747 1.00 2.40 N ATOM 884 NH2 ARG A 382 12.513 5.594 -6.360 1.00 3.26 N ATOM 0 H ARG A 382 8.800 -0.237 -8.259 1.00 0.49 H new ATOM 0 HA ARG A 382 11.553 0.193 -7.306 1.00 0.55 H new ATOM 0 HB2 ARG A 382 8.838 -0.053 -6.005 1.00 0.51 H new ATOM 0 HB3 ARG A 382 10.296 -0.349 -5.078 1.00 0.51 H new ATOM 0 HG2 ARG A 382 9.468 2.211 -6.466 1.00 0.70 H new ATOM 0 HG3 ARG A 382 9.707 1.946 -4.750 1.00 0.70 H new ATOM 0 HD2 ARG A 382 12.129 1.559 -5.133 1.00 1.09 H new ATOM 0 HD3 ARG A 382 11.902 1.779 -6.857 1.00 1.09 H new ATOM 0 HE ARG A 382 11.355 3.967 -4.876 1.00 1.88 H new ATOM 0 HH11 ARG A 382 12.688 2.800 -7.947 1.00 2.40 H new ATOM 0 HH12 ARG A 382 13.285 4.395 -8.419 1.00 2.40 H new ATOM 0 HH21 ARG A 382 12.163 5.993 -5.489 1.00 3.26 H new ATOM 0 HH22 ARG A 382 12.990 6.188 -7.038 1.00 3.26 H new ATOM 943 N THR A 386 8.570 -5.148 -0.468 1.00 0.33 N ATOM 944 CA THR A 386 7.956 -6.289 0.189 1.00 0.28 C ATOM 945 C THR A 386 6.729 -5.772 0.947 1.00 0.21 C ATOM 946 O THR A 386 6.632 -4.562 1.122 1.00 0.24 O ATOM 947 CB THR A 386 8.975 -6.958 1.135 1.00 0.33 C ATOM 948 OG1 THR A 386 9.906 -7.741 0.382 1.00 0.54 O ATOM 949 CG2 THR A 386 8.296 -7.813 2.170 1.00 0.26 C ATOM 0 HA THR A 386 7.646 -7.046 -0.531 1.00 0.28 H new ATOM 0 HB THR A 386 9.510 -6.166 1.659 1.00 0.33 H new ATOM 0 HG1 THR A 386 10.549 -8.160 0.991 1.00 0.54 H new ATOM 0 HG21 THR A 386 9.047 -8.267 2.817 1.00 0.26 H new ATOM 0 HG22 THR A 386 7.626 -7.196 2.769 1.00 0.26 H new ATOM 0 HG23 THR A 386 7.722 -8.597 1.675 1.00 0.26 H new ATOM 957 N TYR A 387 5.776 -6.621 1.360 1.00 0.19 N ATOM 958 CA TYR A 387 4.590 -6.101 2.046 1.00 0.17 C ATOM 959 C TYR A 387 4.981 -5.304 3.280 1.00 0.16 C ATOM 960 O TYR A 387 4.409 -4.257 3.536 1.00 0.18 O ATOM 961 CB TYR A 387 3.595 -7.184 2.441 1.00 0.19 C ATOM 962 CG TYR A 387 2.277 -6.579 2.859 1.00 0.20 C ATOM 963 CD1 TYR A 387 2.121 -6.017 4.117 1.00 0.21 C ATOM 964 CD2 TYR A 387 1.202 -6.540 1.986 1.00 0.22 C ATOM 965 CE1 TYR A 387 0.934 -5.435 4.494 1.00 0.24 C ATOM 966 CE2 TYR A 387 0.013 -5.963 2.357 1.00 0.25 C ATOM 967 CZ TYR A 387 -0.114 -5.408 3.609 1.00 0.26 C ATOM 968 OH TYR A 387 -1.294 -4.833 3.980 1.00 0.30 O ATOM 0 H TYR A 387 5.801 -7.633 1.236 1.00 0.19 H new ATOM 0 HA TYR A 387 4.095 -5.452 1.324 1.00 0.17 H new ATOM 0 HB2 TYR A 387 3.438 -7.863 1.603 1.00 0.19 H new ATOM 0 HB3 TYR A 387 4.003 -7.777 3.259 1.00 0.19 H new ATOM 0 HD1 TYR A 387 2.947 -6.037 4.813 1.00 0.21 H new ATOM 0 HD2 TYR A 387 1.301 -6.969 1.000 1.00 0.22 H new ATOM 0 HE1 TYR A 387 0.827 -5.003 5.478 1.00 0.24 H new ATOM 0 HE2 TYR A 387 -0.819 -5.945 1.669 1.00 0.25 H new ATOM 0 HH TYR A 387 -1.969 -5.530 4.118 1.00 0.30 H new ATOM 978 N GLU A 388 5.957 -5.794 4.033 1.00 0.20 N ATOM 979 CA GLU A 388 6.457 -5.088 5.200 1.00 0.26 C ATOM 980 C GLU A 388 6.853 -3.661 4.831 1.00 0.25 C ATOM 981 O GLU A 388 6.723 -2.725 5.616 1.00 0.31 O ATOM 982 CB GLU A 388 7.656 -5.851 5.752 1.00 0.38 C ATOM 983 CG GLU A 388 8.891 -5.816 4.867 1.00 1.00 C ATOM 984 CD GLU A 388 10.050 -6.587 5.458 1.00 1.78 C ATOM 985 OE1 GLU A 388 10.816 -6.000 6.245 1.00 2.34 O ATOM 986 OE2 GLU A 388 10.205 -7.783 5.128 1.00 2.37 O ATOM 0 H GLU A 388 6.420 -6.685 3.852 1.00 0.20 H new ATOM 0 HA GLU A 388 5.677 -5.031 5.959 1.00 0.26 H new ATOM 0 HB2 GLU A 388 7.913 -5.440 6.728 1.00 0.38 H new ATOM 0 HB3 GLU A 388 7.367 -6.890 5.909 1.00 0.38 H new ATOM 0 HG2 GLU A 388 8.645 -6.230 3.889 1.00 1.00 H new ATOM 0 HG3 GLU A 388 9.191 -4.780 4.709 1.00 1.00 H new ATOM 993 N LYS A 389 7.341 -3.536 3.617 1.00 0.24 N ATOM 994 CA LYS A 389 7.729 -2.264 3.037 1.00 0.28 C ATOM 995 C LYS A 389 6.526 -1.507 2.471 1.00 0.26 C ATOM 996 O LYS A 389 6.500 -0.279 2.477 1.00 0.32 O ATOM 997 CB LYS A 389 8.786 -2.533 1.969 1.00 0.34 C ATOM 998 CG LYS A 389 10.026 -3.158 2.578 1.00 0.46 C ATOM 999 CD LYS A 389 10.971 -3.714 1.539 1.00 0.52 C ATOM 1000 CE LYS A 389 12.221 -4.268 2.196 1.00 0.72 C ATOM 1001 NZ LYS A 389 13.183 -4.806 1.207 1.00 1.62 N ATOM 0 H LYS A 389 7.483 -4.329 2.991 1.00 0.24 H new ATOM 0 HA LYS A 389 8.146 -1.619 3.811 1.00 0.28 H new ATOM 0 HB2 LYS A 389 8.377 -3.196 1.206 1.00 0.34 H new ATOM 0 HB3 LYS A 389 9.051 -1.600 1.472 1.00 0.34 H new ATOM 0 HG2 LYS A 389 10.548 -2.410 3.175 1.00 0.46 H new ATOM 0 HG3 LYS A 389 9.729 -3.957 3.257 1.00 0.46 H new ATOM 0 HD2 LYS A 389 10.474 -4.500 0.971 1.00 0.52 H new ATOM 0 HD3 LYS A 389 11.242 -2.931 0.831 1.00 0.52 H new ATOM 0 HE2 LYS A 389 12.702 -3.482 2.777 1.00 0.72 H new ATOM 0 HE3 LYS A 389 11.943 -5.056 2.895 1.00 0.72 H new ATOM 0 HZ1 LYS A 389 14.021 -5.173 1.702 1.00 1.62 H new ATOM 0 HZ2 LYS A 389 12.734 -5.574 0.669 1.00 1.62 H new ATOM 0 HZ3 LYS A 389 13.471 -4.049 0.555 1.00 1.62 H new ATOM 1015 N MET A 390 5.527 -2.242 1.997 1.00 0.19 N ATOM 1016 CA MET A 390 4.318 -1.641 1.463 1.00 0.20 C ATOM 1017 C MET A 390 3.436 -1.120 2.606 1.00 0.20 C ATOM 1018 O MET A 390 2.808 -0.064 2.499 1.00 0.22 O ATOM 1019 CB MET A 390 3.557 -2.660 0.616 1.00 0.18 C ATOM 1020 CG MET A 390 2.095 -2.755 0.979 1.00 0.23 C ATOM 1021 SD MET A 390 1.136 -3.709 -0.206 1.00 0.68 S ATOM 1022 CE MET A 390 -0.527 -3.266 0.290 1.00 1.18 C ATOM 0 H MET A 390 5.534 -3.262 1.973 1.00 0.19 H new ATOM 0 HA MET A 390 4.591 -0.798 0.828 1.00 0.20 H new ATOM 0 HB2 MET A 390 3.648 -2.390 -0.436 1.00 0.18 H new ATOM 0 HB3 MET A 390 4.019 -3.640 0.734 1.00 0.18 H new ATOM 0 HG2 MET A 390 2.000 -3.210 1.965 1.00 0.23 H new ATOM 0 HG3 MET A 390 1.678 -1.750 1.050 1.00 0.23 H new ATOM 0 HE1 MET A 390 -1.243 -3.906 -0.226 1.00 1.18 H new ATOM 0 HE2 MET A 390 -0.633 -3.397 1.367 1.00 1.18 H new ATOM 0 HE3 MET A 390 -0.719 -2.225 0.031 1.00 1.18 H new ATOM 1032 N SER A 391 3.420 -1.870 3.706 1.00 0.20 N ATOM 1033 CA SER A 391 2.611 -1.544 4.872 1.00 0.21 C ATOM 1034 C SER A 391 3.083 -0.249 5.513 1.00 0.18 C ATOM 1035 O SER A 391 2.344 0.391 6.256 1.00 0.18 O ATOM 1036 CB SER A 391 2.656 -2.690 5.880 1.00 0.26 C ATOM 1037 OG SER A 391 3.988 -3.046 6.200 1.00 0.64 O ATOM 0 H SER A 391 3.970 -2.722 3.811 1.00 0.20 H new ATOM 0 HA SER A 391 1.580 -1.403 4.548 1.00 0.21 H new ATOM 0 HB2 SER A 391 2.128 -2.399 6.788 1.00 0.26 H new ATOM 0 HB3 SER A 391 2.135 -3.556 5.472 1.00 0.26 H new ATOM 0 HG SER A 391 3.983 -3.781 6.848 1.00 0.64 H new ATOM 1043 N ARG A 392 4.321 0.120 5.226 1.00 0.19 N ATOM 1044 CA ARG A 392 4.881 1.370 5.725 1.00 0.20 C ATOM 1045 C ARG A 392 4.050 2.540 5.213 1.00 0.19 C ATOM 1046 O ARG A 392 3.777 3.491 5.945 1.00 0.23 O ATOM 1047 CB ARG A 392 6.335 1.534 5.278 1.00 0.24 C ATOM 1048 CG ARG A 392 7.292 0.505 5.852 1.00 0.52 C ATOM 1049 CD ARG A 392 7.637 0.793 7.297 1.00 0.67 C ATOM 1050 NE ARG A 392 8.408 2.031 7.455 1.00 1.31 N ATOM 1051 CZ ARG A 392 9.171 2.299 8.518 1.00 1.66 C ATOM 1052 NH1 ARG A 392 9.224 1.449 9.536 1.00 1.88 N ATOM 1053 NH2 ARG A 392 9.865 3.427 8.575 1.00 2.48 N ATOM 0 H ARG A 392 4.960 -0.428 4.649 1.00 0.19 H new ATOM 0 HA ARG A 392 4.858 1.350 6.815 1.00 0.20 H new ATOM 0 HB2 ARG A 392 6.375 1.481 4.190 1.00 0.24 H new ATOM 0 HB3 ARG A 392 6.679 2.529 5.562 1.00 0.24 H new ATOM 0 HG2 ARG A 392 6.845 -0.486 5.777 1.00 0.52 H new ATOM 0 HG3 ARG A 392 8.206 0.489 5.258 1.00 0.52 H new ATOM 0 HD2 ARG A 392 6.718 0.864 7.879 1.00 0.67 H new ATOM 0 HD3 ARG A 392 8.208 -0.041 7.704 1.00 0.67 H new ATOM 0 HE ARG A 392 8.359 2.727 6.711 1.00 1.31 H new ATOM 0 HH11 ARG A 392 8.680 0.586 9.509 1.00 1.88 H new ATOM 0 HH12 ARG A 392 9.808 1.658 10.345 1.00 1.88 H new ATOM 0 HH21 ARG A 392 9.818 4.094 7.805 1.00 2.48 H new ATOM 0 HH22 ARG A 392 10.446 3.628 9.389 1.00 2.48 H new ATOM 1067 N ALA A 393 3.623 2.442 3.957 1.00 0.16 N ATOM 1068 CA ALA A 393 2.775 3.457 3.354 1.00 0.16 C ATOM 1069 C ALA A 393 1.376 3.398 3.975 1.00 0.16 C ATOM 1070 O ALA A 393 0.767 4.425 4.273 1.00 0.19 O ATOM 1071 CB ALA A 393 2.711 3.264 1.844 1.00 0.19 C ATOM 0 H ALA A 393 3.854 1.665 3.338 1.00 0.16 H new ATOM 0 HA ALA A 393 3.199 4.442 3.549 1.00 0.16 H new ATOM 0 HB1 ALA A 393 2.073 4.031 1.406 1.00 0.19 H new ATOM 0 HB2 ALA A 393 3.714 3.343 1.424 1.00 0.19 H new ATOM 0 HB3 ALA A 393 2.301 2.279 1.620 1.00 0.19 H new ATOM 1077 N LEU A 394 0.891 2.169 4.187 1.00 0.15 N ATOM 1078 CA LEU A 394 -0.405 1.929 4.830 1.00 0.18 C ATOM 1079 C LEU A 394 -0.439 2.478 6.253 1.00 0.18 C ATOM 1080 O LEU A 394 -1.496 2.860 6.752 1.00 0.20 O ATOM 1081 CB LEU A 394 -0.709 0.427 4.865 1.00 0.22 C ATOM 1082 CG LEU A 394 -1.079 -0.201 3.524 1.00 0.25 C ATOM 1083 CD1 LEU A 394 -1.057 -1.712 3.632 1.00 0.35 C ATOM 1084 CD2 LEU A 394 -2.455 0.269 3.081 1.00 0.24 C ATOM 0 H LEU A 394 1.384 1.317 3.919 1.00 0.15 H new ATOM 0 HA LEU A 394 -1.160 2.449 4.241 1.00 0.18 H new ATOM 0 HB2 LEU A 394 0.163 -0.093 5.261 1.00 0.22 H new ATOM 0 HB3 LEU A 394 -1.527 0.256 5.564 1.00 0.22 H new ATOM 0 HG LEU A 394 -0.346 0.112 2.780 1.00 0.25 H new ATOM 0 HD11 LEU A 394 -1.323 -2.149 2.670 1.00 0.35 H new ATOM 0 HD12 LEU A 394 -0.058 -2.042 3.917 1.00 0.35 H new ATOM 0 HD13 LEU A 394 -1.775 -2.033 4.387 1.00 0.35 H new ATOM 0 HD21 LEU A 394 -2.704 -0.188 2.123 1.00 0.24 H new ATOM 0 HD22 LEU A 394 -3.196 -0.022 3.826 1.00 0.24 H new ATOM 0 HD23 LEU A 394 -2.453 1.354 2.976 1.00 0.24 H new ATOM 1096 N ARG A 395 0.719 2.503 6.901 1.00 0.20 N ATOM 1097 CA ARG A 395 0.835 2.993 8.269 1.00 0.26 C ATOM 1098 C ARG A 395 0.339 4.432 8.370 1.00 0.21 C ATOM 1099 O ARG A 395 -0.259 4.828 9.367 1.00 0.22 O ATOM 1100 CB ARG A 395 2.287 2.899 8.735 1.00 0.36 C ATOM 1101 CG ARG A 395 2.439 2.745 10.233 1.00 0.94 C ATOM 1102 CD ARG A 395 1.986 1.363 10.657 1.00 0.94 C ATOM 1103 NE ARG A 395 2.844 0.311 10.106 1.00 1.59 N ATOM 1104 CZ ARG A 395 2.674 -0.993 10.335 1.00 1.91 C ATOM 1105 NH1 ARG A 395 1.717 -1.416 11.147 1.00 1.87 N ATOM 1106 NH2 ARG A 395 3.474 -1.878 9.756 1.00 2.78 N ATOM 0 H ARG A 395 1.600 2.186 6.496 1.00 0.20 H new ATOM 0 HA ARG A 395 0.214 2.372 8.915 1.00 0.26 H new ATOM 0 HB2 ARG A 395 2.763 2.051 8.242 1.00 0.36 H new ATOM 0 HB3 ARG A 395 2.820 3.794 8.415 1.00 0.36 H new ATOM 0 HG2 ARG A 395 3.479 2.900 10.520 1.00 0.94 H new ATOM 0 HG3 ARG A 395 1.850 3.504 10.747 1.00 0.94 H new ATOM 0 HD2 ARG A 395 1.987 1.299 11.745 1.00 0.94 H new ATOM 0 HD3 ARG A 395 0.959 1.202 10.329 1.00 0.94 H new ATOM 0 HE ARG A 395 3.621 0.593 9.509 1.00 1.59 H new ATOM 0 HH11 ARG A 395 1.102 -0.743 11.604 1.00 1.87 H new ATOM 0 HH12 ARG A 395 1.595 -2.415 11.315 1.00 1.87 H new ATOM 0 HH21 ARG A 395 4.219 -1.562 9.136 1.00 2.78 H new ATOM 0 HH22 ARG A 395 3.344 -2.874 9.931 1.00 2.78 H new ATOM 1120 N HIS A 396 0.568 5.202 7.315 1.00 0.20 N ATOM 1121 CA HIS A 396 0.134 6.588 7.273 1.00 0.19 C ATOM 1122 C HIS A 396 -1.371 6.663 7.074 1.00 0.16 C ATOM 1123 O HIS A 396 -2.021 7.592 7.548 1.00 0.22 O ATOM 1124 CB HIS A 396 0.882 7.341 6.175 1.00 0.24 C ATOM 1125 CG HIS A 396 2.362 7.383 6.415 1.00 0.58 C ATOM 1126 ND1 HIS A 396 2.942 8.379 7.166 1.00 1.29 N ATOM 1127 CD2 HIS A 396 3.322 6.513 6.018 1.00 0.53 C ATOM 1128 CE1 HIS A 396 4.233 8.090 7.213 1.00 1.63 C ATOM 1129 NE2 HIS A 396 4.507 6.970 6.532 1.00 1.17 N ATOM 0 H HIS A 396 1.054 4.887 6.475 1.00 0.20 H new ATOM 0 HA HIS A 396 0.368 7.065 8.225 1.00 0.19 H new ATOM 0 HB2 HIS A 396 0.686 6.865 5.214 1.00 0.24 H new ATOM 0 HB3 HIS A 396 0.498 8.359 6.111 1.00 0.24 H new ATOM 0 HD2 HIS A 396 3.180 5.630 5.413 1.00 0.53 H new ATOM 0 HE1 HIS A 396 4.971 8.682 7.734 1.00 1.63 H new ATOM 0 HE2 HIS A 396 5.424 6.539 6.418 1.00 1.17 H new ATOM 1137 N TYR A 397 -1.929 5.636 6.440 1.00 0.15 N ATOM 1138 CA TYR A 397 -3.352 5.611 6.123 1.00 0.15 C ATOM 1139 C TYR A 397 -4.184 5.429 7.384 1.00 0.18 C ATOM 1140 O TYR A 397 -5.381 5.715 7.392 1.00 0.19 O ATOM 1141 CB TYR A 397 -3.672 4.491 5.124 1.00 0.18 C ATOM 1142 CG TYR A 397 -3.120 4.736 3.738 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -2.078 5.630 3.525 1.00 0.20 C ATOM 1144 CD2 TYR A 397 -3.649 4.080 2.641 1.00 0.26 C ATOM 1145 CE1 TYR A 397 -1.588 5.868 2.265 1.00 0.22 C ATOM 1146 CE2 TYR A 397 -3.159 4.306 1.377 1.00 0.32 C ATOM 1147 CZ TYR A 397 -2.131 5.205 1.189 1.00 0.25 C ATOM 1148 OH TYR A 397 -1.671 5.459 -0.081 1.00 0.35 O ATOM 0 H TYR A 397 -1.416 4.809 6.135 1.00 0.15 H new ATOM 0 HA TYR A 397 -3.606 6.569 5.668 1.00 0.15 H new ATOM 0 HB2 TYR A 397 -3.271 3.552 5.504 1.00 0.18 H new ATOM 0 HB3 TYR A 397 -4.754 4.373 5.059 1.00 0.18 H new ATOM 0 HD1 TYR A 397 -1.645 6.148 4.368 1.00 0.20 H new ATOM 0 HD2 TYR A 397 -4.459 3.380 2.780 1.00 0.26 H new ATOM 0 HE1 TYR A 397 -0.781 6.571 2.119 1.00 0.22 H new ATOM 0 HE2 TYR A 397 -3.579 3.780 0.532 1.00 0.32 H new ATOM 0 HH TYR A 397 -2.358 5.941 -0.588 1.00 0.35 H new ATOM 1158 N TYR A 398 -3.542 4.949 8.445 1.00 0.24 N ATOM 1159 CA TYR A 398 -4.211 4.756 9.724 1.00 0.29 C ATOM 1160 C TYR A 398 -4.526 6.098 10.370 1.00 0.31 C ATOM 1161 O TYR A 398 -5.594 6.291 10.951 1.00 0.39 O ATOM 1162 CB TYR A 398 -3.341 3.914 10.655 1.00 0.33 C ATOM 1163 CG TYR A 398 -3.023 2.556 10.087 1.00 0.35 C ATOM 1164 CD1 TYR A 398 -3.959 1.872 9.333 1.00 0.41 C ATOM 1165 CD2 TYR A 398 -1.791 1.964 10.297 1.00 0.43 C ATOM 1166 CE1 TYR A 398 -3.681 0.636 8.801 1.00 0.48 C ATOM 1167 CE2 TYR A 398 -1.500 0.721 9.770 1.00 0.49 C ATOM 1168 CZ TYR A 398 -2.449 0.061 9.022 1.00 0.50 C ATOM 1169 OH TYR A 398 -2.166 -1.181 8.503 1.00 0.60 O ATOM 0 H TYR A 398 -2.556 4.686 8.442 1.00 0.24 H new ATOM 0 HA TYR A 398 -5.148 4.228 9.547 1.00 0.29 H new ATOM 0 HB2 TYR A 398 -2.411 4.446 10.855 1.00 0.33 H new ATOM 0 HB3 TYR A 398 -3.851 3.793 11.611 1.00 0.33 H new ATOM 0 HD1 TYR A 398 -4.927 2.318 9.159 1.00 0.41 H new ATOM 0 HD2 TYR A 398 -1.045 2.482 10.882 1.00 0.43 H new ATOM 0 HE1 TYR A 398 -4.424 0.118 8.213 1.00 0.48 H new ATOM 0 HE2 TYR A 398 -0.534 0.270 9.944 1.00 0.49 H new ATOM 0 HH TYR A 398 -1.254 -1.439 8.751 1.00 0.60 H new ATOM 1179 N LYS A 399 -3.590 7.029 10.246 1.00 0.28 N ATOM 1180 CA LYS A 399 -3.748 8.365 10.792 1.00 0.32 C ATOM 1181 C LYS A 399 -4.767 9.130 9.978 1.00 0.29 C ATOM 1182 O LYS A 399 -5.582 9.886 10.505 1.00 0.31 O ATOM 1183 CB LYS A 399 -2.425 9.114 10.747 1.00 0.37 C ATOM 1184 CG LYS A 399 -1.370 8.560 11.686 1.00 0.53 C ATOM 1185 CD LYS A 399 -0.944 7.145 11.335 1.00 0.68 C ATOM 1186 CE LYS A 399 0.095 6.629 12.306 1.00 1.31 C ATOM 1187 NZ LYS A 399 1.395 7.330 12.141 1.00 1.98 N ATOM 0 H LYS A 399 -2.703 6.878 9.765 1.00 0.28 H new ATOM 0 HA LYS A 399 -4.082 8.279 11.826 1.00 0.32 H new ATOM 0 HB2 LYS A 399 -2.039 9.088 9.728 1.00 0.37 H new ATOM 0 HB3 LYS A 399 -2.603 10.161 10.994 1.00 0.37 H new ATOM 0 HG2 LYS A 399 -0.496 9.212 11.666 1.00 0.53 H new ATOM 0 HG3 LYS A 399 -1.756 8.575 12.705 1.00 0.53 H new ATOM 0 HD2 LYS A 399 -1.813 6.488 11.346 1.00 0.68 H new ATOM 0 HD3 LYS A 399 -0.541 7.124 10.322 1.00 0.68 H new ATOM 0 HE2 LYS A 399 -0.263 6.761 13.327 1.00 1.31 H new ATOM 0 HE3 LYS A 399 0.236 5.559 12.154 1.00 1.31 H new ATOM 0 HZ1 LYS A 399 2.122 6.852 12.711 1.00 1.98 H new ATOM 0 HZ2 LYS A 399 1.674 7.313 11.139 1.00 1.98 H new ATOM 0 HZ3 LYS A 399 1.300 8.316 12.457 1.00 1.98 H new ATOM 1201 N LEU A 400 -4.714 8.895 8.679 1.00 0.25 N ATOM 1202 CA LEU A 400 -5.641 9.506 7.741 1.00 0.23 C ATOM 1203 C LEU A 400 -6.990 8.822 7.828 1.00 0.22 C ATOM 1204 O LEU A 400 -7.957 9.237 7.192 1.00 0.26 O ATOM 1205 CB LEU A 400 -5.122 9.350 6.321 1.00 0.22 C ATOM 1206 CG LEU A 400 -3.642 9.621 6.139 1.00 0.25 C ATOM 1207 CD1 LEU A 400 -3.133 8.888 4.922 1.00 0.23 C ATOM 1208 CD2 LEU A 400 -3.395 11.100 5.992 1.00 0.36 C ATOM 0 H LEU A 400 -4.029 8.277 8.245 1.00 0.25 H new ATOM 0 HA LEU A 400 -5.737 10.562 7.992 1.00 0.23 H new ATOM 0 HB2 LEU A 400 -5.333 8.335 5.984 1.00 0.22 H new ATOM 0 HB3 LEU A 400 -5.681 10.024 5.671 1.00 0.22 H new ATOM 0 HG LEU A 400 -3.108 9.265 7.020 1.00 0.25 H new ATOM 0 HD11 LEU A 400 -2.069 9.087 4.796 1.00 0.23 H new ATOM 0 HD12 LEU A 400 -3.290 7.817 5.050 1.00 0.23 H new ATOM 0 HD13 LEU A 400 -3.673 9.230 4.039 1.00 0.23 H new ATOM 0 HD21 LEU A 400 -2.328 11.280 5.862 1.00 0.36 H new ATOM 0 HD22 LEU A 400 -3.934 11.474 5.122 1.00 0.36 H new ATOM 0 HD23 LEU A 400 -3.744 11.618 6.886 1.00 0.36 H new ATOM 1220 N ASN A 401 -7.008 7.741 8.619 1.00 0.22 N ATOM 1221 CA ASN A 401 -8.175 6.885 8.822 1.00 0.24 C ATOM 1222 C ASN A 401 -8.839 6.543 7.496 1.00 0.19 C ATOM 1223 O ASN A 401 -10.060 6.528 7.365 1.00 0.23 O ATOM 1224 CB ASN A 401 -9.158 7.472 9.855 1.00 0.33 C ATOM 1225 CG ASN A 401 -9.621 8.882 9.560 1.00 1.01 C ATOM 1226 OD1 ASN A 401 -10.650 9.088 8.917 1.00 1.77 O ATOM 1227 ND2 ASN A 401 -8.863 9.865 10.031 1.00 1.24 N ATOM 0 H ASN A 401 -6.190 7.434 9.146 1.00 0.22 H new ATOM 0 HA ASN A 401 -7.827 5.946 9.253 1.00 0.24 H new ATOM 0 HB2 ASN A 401 -10.031 6.823 9.914 1.00 0.33 H new ATOM 0 HB3 ASN A 401 -8.683 7.458 10.836 1.00 0.33 H new ATOM 0 HD21 ASN A 401 -9.126 10.836 9.865 1.00 1.24 H new ATOM 0 HD22 ASN A 401 -8.018 9.649 10.559 1.00 1.24 H new ATOM 1234 N ILE A 402 -7.993 6.276 6.508 1.00 0.15 N ATOM 1235 CA ILE A 402 -8.428 5.814 5.201 1.00 0.13 C ATOM 1236 C ILE A 402 -8.689 4.323 5.259 1.00 0.13 C ATOM 1237 O ILE A 402 -9.675 3.819 4.727 1.00 0.15 O ATOM 1238 CB ILE A 402 -7.341 6.089 4.139 1.00 0.12 C ATOM 1239 CG1 ILE A 402 -7.108 7.590 4.008 1.00 0.13 C ATOM 1240 CG2 ILE A 402 -7.710 5.478 2.790 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.901 7.932 3.167 1.00 0.14 C ATOM 0 H ILE A 402 -6.982 6.375 6.594 1.00 0.15 H new ATOM 0 HA ILE A 402 -9.338 6.348 4.927 1.00 0.13 H new ATOM 0 HB ILE A 402 -6.416 5.615 4.468 1.00 0.12 H new ATOM 0 HG12 ILE A 402 -7.992 8.052 3.568 1.00 0.13 H new ATOM 0 HG13 ILE A 402 -6.984 8.020 5.002 1.00 0.13 H new ATOM 0 HG21 ILE A 402 -6.923 5.691 2.067 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -7.822 4.399 2.898 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -8.649 5.907 2.441 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -5.790 9.015 3.113 1.00 0.14 H new ATOM 0 HD12 ILE A 402 -5.009 7.498 3.618 1.00 0.14 H new ATOM 0 HD13 ILE A 402 -6.032 7.530 2.162 1.00 0.14 H new ATOM 1253 N ILE A 403 -7.797 3.637 5.948 1.00 0.14 N ATOM 1254 CA ILE A 403 -7.819 2.193 6.027 1.00 0.14 C ATOM 1255 C ILE A 403 -7.562 1.751 7.457 1.00 0.17 C ATOM 1256 O ILE A 403 -6.658 2.262 8.114 1.00 0.26 O ATOM 1257 CB ILE A 403 -6.745 1.589 5.093 1.00 0.16 C ATOM 1258 CG1 ILE A 403 -7.111 1.841 3.630 1.00 0.16 C ATOM 1259 CG2 ILE A 403 -6.560 0.101 5.352 1.00 0.18 C ATOM 1260 CD1 ILE A 403 -5.996 1.524 2.662 1.00 0.20 C ATOM 0 H ILE A 403 -7.035 4.069 6.470 1.00 0.14 H new ATOM 0 HA ILE A 403 -8.800 1.839 5.711 1.00 0.14 H new ATOM 0 HB ILE A 403 -5.797 2.082 5.306 1.00 0.16 H new ATOM 0 HG12 ILE A 403 -7.984 1.240 3.374 1.00 0.16 H new ATOM 0 HG13 ILE A 403 -7.397 2.886 3.511 1.00 0.16 H new ATOM 0 HG21 ILE A 403 -5.798 -0.293 4.679 1.00 0.18 H new ATOM 0 HG22 ILE A 403 -6.247 -0.052 6.385 1.00 0.18 H new ATOM 0 HG23 ILE A 403 -7.502 -0.419 5.178 1.00 0.18 H new ATOM 0 HD11 ILE A 403 -6.329 1.727 1.644 1.00 0.20 H new ATOM 0 HD12 ILE A 403 -5.129 2.143 2.891 1.00 0.20 H new ATOM 0 HD13 ILE A 403 -5.724 0.472 2.752 1.00 0.20 H new ATOM 1272 N ARG A 404 -8.375 0.832 7.945 1.00 0.14 N ATOM 1273 CA ARG A 404 -8.164 0.253 9.258 1.00 0.18 C ATOM 1274 C ARG A 404 -8.316 -1.255 9.179 1.00 0.20 C ATOM 1275 O ARG A 404 -8.997 -1.766 8.295 1.00 0.28 O ATOM 1276 CB ARG A 404 -9.129 0.846 10.291 1.00 0.27 C ATOM 1277 CG ARG A 404 -10.592 0.676 9.971 1.00 0.45 C ATOM 1278 CD ARG A 404 -11.426 0.866 11.219 1.00 0.76 C ATOM 1279 NE ARG A 404 -12.840 1.107 10.933 1.00 1.16 N ATOM 1280 CZ ARG A 404 -13.843 0.503 11.576 1.00 1.23 C ATOM 1281 NH1 ARG A 404 -13.596 -0.490 12.421 1.00 1.04 N ATOM 1282 NH2 ARG A 404 -15.099 0.866 11.337 1.00 2.08 N ATOM 0 H ARG A 404 -9.190 0.470 7.450 1.00 0.14 H new ATOM 0 HA ARG A 404 -7.152 0.493 9.586 1.00 0.18 H new ATOM 0 HB2 ARG A 404 -8.929 0.386 11.258 1.00 0.27 H new ATOM 0 HB3 ARG A 404 -8.917 1.910 10.394 1.00 0.27 H new ATOM 0 HG2 ARG A 404 -10.892 1.398 9.211 1.00 0.45 H new ATOM 0 HG3 ARG A 404 -10.768 -0.316 9.555 1.00 0.45 H new ATOM 0 HD2 ARG A 404 -11.335 -0.019 11.848 1.00 0.76 H new ATOM 0 HD3 ARG A 404 -11.029 1.705 11.790 1.00 0.76 H new ATOM 0 HE ARG A 404 -13.074 1.776 10.199 1.00 1.16 H new ATOM 0 HH11 ARG A 404 -12.636 -0.796 12.582 1.00 1.04 H new ATOM 0 HH12 ARG A 404 -14.366 -0.948 12.909 1.00 1.04 H new ATOM 0 HH21 ARG A 404 -15.297 1.605 10.663 1.00 2.08 H new ATOM 0 HH22 ARG A 404 -15.865 0.405 11.828 1.00 2.08 H new ATOM 1296 N LYS A 405 -7.654 -1.958 10.076 1.00 0.24 N ATOM 1297 CA LYS A 405 -7.673 -3.413 10.076 1.00 0.26 C ATOM 1298 C LYS A 405 -8.890 -3.946 10.808 1.00 0.27 C ATOM 1299 O LYS A 405 -9.125 -3.599 11.968 1.00 0.34 O ATOM 1300 CB LYS A 405 -6.413 -3.951 10.742 1.00 0.31 C ATOM 1301 CG LYS A 405 -5.164 -3.828 9.893 1.00 0.58 C ATOM 1302 CD LYS A 405 -3.922 -4.156 10.706 1.00 0.69 C ATOM 1303 CE LYS A 405 -4.051 -5.500 11.404 1.00 1.31 C ATOM 1304 NZ LYS A 405 -3.035 -5.662 12.475 1.00 1.73 N ATOM 0 H LYS A 405 -7.092 -1.545 10.820 1.00 0.24 H new ATOM 0 HA LYS A 405 -7.716 -3.746 9.039 1.00 0.26 H new ATOM 0 HB2 LYS A 405 -6.255 -3.419 11.680 1.00 0.31 H new ATOM 0 HB3 LYS A 405 -6.567 -5.001 10.993 1.00 0.31 H new ATOM 0 HG2 LYS A 405 -5.232 -4.501 9.038 1.00 0.58 H new ATOM 0 HG3 LYS A 405 -5.087 -2.816 9.496 1.00 0.58 H new ATOM 0 HD2 LYS A 405 -3.050 -4.167 10.052 1.00 0.69 H new ATOM 0 HD3 LYS A 405 -3.754 -3.375 11.447 1.00 0.69 H new ATOM 0 HE2 LYS A 405 -5.049 -5.594 11.832 1.00 1.31 H new ATOM 0 HE3 LYS A 405 -3.941 -6.302 10.674 1.00 1.31 H new ATOM 0 HZ1 LYS A 405 -3.154 -6.590 12.929 1.00 1.73 H new ATOM 0 HZ2 LYS A 405 -2.082 -5.598 12.063 1.00 1.73 H new ATOM 0 HZ3 LYS A 405 -3.156 -4.912 13.185 1.00 1.73 H new ATOM 1318 N GLU A 406 -9.658 -4.787 10.129 1.00 0.26 N ATOM 1319 CA GLU A 406 -10.787 -5.439 10.746 1.00 0.27 C ATOM 1320 C GLU A 406 -10.343 -6.347 11.885 1.00 0.29 C ATOM 1321 O GLU A 406 -9.370 -7.095 11.766 1.00 0.33 O ATOM 1322 CB GLU A 406 -11.577 -6.200 9.715 1.00 0.26 C ATOM 1323 CG GLU A 406 -12.505 -5.303 8.920 1.00 0.28 C ATOM 1324 CD GLU A 406 -12.968 -4.069 9.682 1.00 0.56 C ATOM 1325 OE1 GLU A 406 -12.217 -3.075 9.744 1.00 0.81 O ATOM 1326 OE2 GLU A 406 -14.099 -4.089 10.214 1.00 0.84 O ATOM 0 H GLU A 406 -9.513 -5.029 9.149 1.00 0.26 H new ATOM 0 HA GLU A 406 -11.434 -4.674 11.175 1.00 0.27 H new ATOM 0 HB2 GLU A 406 -10.891 -6.703 9.034 1.00 0.26 H new ATOM 0 HB3 GLU A 406 -12.161 -6.976 10.209 1.00 0.26 H new ATOM 0 HG2 GLU A 406 -11.997 -4.987 8.009 1.00 0.28 H new ATOM 0 HG3 GLU A 406 -13.378 -5.879 8.615 1.00 0.28 H new ATOM 1333 N PRO A 407 -11.083 -6.289 12.996 1.00 0.34 N ATOM 1334 CA PRO A 407 -10.695 -6.900 14.273 1.00 0.38 C ATOM 1335 C PRO A 407 -10.487 -8.411 14.211 1.00 0.41 C ATOM 1336 O PRO A 407 -11.417 -9.169 13.931 1.00 0.44 O ATOM 1337 CB PRO A 407 -11.880 -6.564 15.189 1.00 0.43 C ATOM 1338 CG PRO A 407 -13.013 -6.316 14.260 1.00 0.48 C ATOM 1339 CD PRO A 407 -12.391 -5.622 13.094 1.00 0.45 C ATOM 0 HA PRO A 407 -9.730 -6.520 14.609 1.00 0.38 H new ATOM 0 HB2 PRO A 407 -12.099 -7.385 15.871 1.00 0.43 H new ATOM 0 HB3 PRO A 407 -11.671 -5.687 15.802 1.00 0.43 H new ATOM 0 HG2 PRO A 407 -13.491 -7.248 13.959 1.00 0.48 H new ATOM 0 HG3 PRO A 407 -13.781 -5.699 14.726 1.00 0.48 H new ATOM 0 HD2 PRO A 407 -12.980 -5.746 12.185 1.00 0.45 H new ATOM 0 HD3 PRO A 407 -12.290 -4.550 13.265 1.00 0.45 H new ATOM 1347 N GLY A 408 -9.254 -8.839 14.457 1.00 0.51 N ATOM 1348 CA GLY A 408 -8.978 -10.248 14.657 1.00 0.60 C ATOM 1349 C GLY A 408 -8.577 -10.984 13.396 1.00 0.56 C ATOM 1350 O GLY A 408 -8.102 -12.120 13.467 1.00 0.66 O ATOM 0 H GLY A 408 -8.437 -8.231 14.522 1.00 0.51 H new ATOM 0 HA2 GLY A 408 -8.181 -10.350 15.394 1.00 0.60 H new ATOM 0 HA3 GLY A 408 -9.864 -10.725 15.077 1.00 0.60 H new ATOM 1354 N GLN A 409 -8.745 -10.356 12.242 1.00 0.53 N ATOM 1355 CA GLN A 409 -8.479 -11.037 10.984 1.00 0.52 C ATOM 1356 C GLN A 409 -7.048 -10.795 10.517 1.00 0.48 C ATOM 1357 O GLN A 409 -6.368 -9.907 11.029 1.00 0.62 O ATOM 1358 CB GLN A 409 -9.484 -10.612 9.911 1.00 0.67 C ATOM 1359 CG GLN A 409 -10.924 -10.910 10.301 1.00 0.77 C ATOM 1360 CD GLN A 409 -11.915 -10.625 9.190 1.00 0.90 C ATOM 1361 OE1 GLN A 409 -12.202 -11.494 8.369 1.00 1.81 O ATOM 1362 NE2 GLN A 409 -12.449 -9.415 9.160 1.00 1.10 N ATOM 0 H GLN A 409 -9.060 -9.390 12.150 1.00 0.53 H new ATOM 0 HA GLN A 409 -8.596 -12.107 11.153 1.00 0.52 H new ATOM 0 HB2 GLN A 409 -9.377 -9.544 9.722 1.00 0.67 H new ATOM 0 HB3 GLN A 409 -9.251 -11.125 8.978 1.00 0.67 H new ATOM 0 HG2 GLN A 409 -11.005 -11.957 10.592 1.00 0.77 H new ATOM 0 HG3 GLN A 409 -11.187 -10.315 11.175 1.00 0.77 H new ATOM 0 HE21 GLN A 409 -12.183 -8.723 9.861 1.00 1.10 H new ATOM 0 HE22 GLN A 409 -13.126 -9.174 8.436 1.00 1.10 H new ATOM 1371 N ARG A 410 -6.591 -11.613 9.573 1.00 0.44 N ATOM 1372 CA ARG A 410 -5.226 -11.518 9.046 1.00 0.41 C ATOM 1373 C ARG A 410 -4.940 -10.157 8.395 1.00 0.34 C ATOM 1374 O ARG A 410 -4.605 -9.188 9.075 1.00 0.49 O ATOM 1375 CB ARG A 410 -4.919 -12.655 8.048 1.00 0.45 C ATOM 1376 CG ARG A 410 -6.109 -13.523 7.615 1.00 0.57 C ATOM 1377 CD ARG A 410 -7.168 -12.744 6.837 1.00 0.62 C ATOM 1378 NE ARG A 410 -8.075 -13.630 6.102 1.00 0.96 N ATOM 1379 CZ ARG A 410 -9.389 -13.732 6.323 1.00 1.65 C ATOM 1380 NH1 ARG A 410 -9.954 -13.064 7.320 1.00 2.14 N ATOM 1381 NH2 ARG A 410 -10.132 -14.526 5.567 1.00 2.29 N ATOM 0 H ARG A 410 -7.149 -12.356 9.152 1.00 0.44 H new ATOM 0 HA ARG A 410 -4.565 -11.621 9.907 1.00 0.41 H new ATOM 0 HB2 ARG A 410 -4.474 -12.215 7.155 1.00 0.45 H new ATOM 0 HB3 ARG A 410 -4.165 -13.305 8.492 1.00 0.45 H new ATOM 0 HG2 ARG A 410 -5.746 -14.345 6.999 1.00 0.57 H new ATOM 0 HG3 ARG A 410 -6.569 -13.966 8.499 1.00 0.57 H new ATOM 0 HD2 ARG A 410 -7.744 -12.128 7.527 1.00 0.62 H new ATOM 0 HD3 ARG A 410 -6.678 -12.066 6.138 1.00 0.62 H new ATOM 0 HE ARG A 410 -7.673 -14.212 5.367 1.00 0.96 H new ATOM 0 HH11 ARG A 410 -9.385 -12.469 7.922 1.00 2.14 H new ATOM 0 HH12 ARG A 410 -10.957 -13.145 7.484 1.00 2.14 H new ATOM 0 HH21 ARG A 410 -9.702 -15.062 4.813 1.00 2.29 H new ATOM 0 HH22 ARG A 410 -11.135 -14.602 5.738 1.00 2.29 H new ATOM 1395 N LEU A 411 -5.066 -10.091 7.078 1.00 0.21 N ATOM 1396 CA LEU A 411 -4.816 -8.858 6.341 1.00 0.15 C ATOM 1397 C LEU A 411 -6.125 -8.233 5.879 1.00 0.11 C ATOM 1398 O LEU A 411 -6.204 -7.642 4.802 1.00 0.12 O ATOM 1399 CB LEU A 411 -3.868 -9.090 5.159 1.00 0.14 C ATOM 1400 CG LEU A 411 -2.404 -9.333 5.545 1.00 0.17 C ATOM 1401 CD1 LEU A 411 -1.982 -10.761 5.234 1.00 0.20 C ATOM 1402 CD2 LEU A 411 -1.502 -8.342 4.831 1.00 0.16 C ATOM 0 H LEU A 411 -5.341 -10.881 6.494 1.00 0.21 H new ATOM 0 HA LEU A 411 -4.324 -8.160 7.019 1.00 0.15 H new ATOM 0 HB2 LEU A 411 -4.225 -9.947 4.588 1.00 0.14 H new ATOM 0 HB3 LEU A 411 -3.916 -8.224 4.498 1.00 0.14 H new ATOM 0 HG LEU A 411 -2.307 -9.185 6.621 1.00 0.17 H new ATOM 0 HD11 LEU A 411 -0.939 -10.902 5.519 1.00 0.20 H new ATOM 0 HD12 LEU A 411 -2.608 -11.456 5.794 1.00 0.20 H new ATOM 0 HD13 LEU A 411 -2.095 -10.950 4.166 1.00 0.20 H new ATOM 0 HD21 LEU A 411 -0.465 -8.525 5.113 1.00 0.16 H new ATOM 0 HD22 LEU A 411 -1.611 -8.462 3.753 1.00 0.16 H new ATOM 0 HD23 LEU A 411 -1.781 -7.327 5.113 1.00 0.16 H new ATOM 1414 N LEU A 412 -7.171 -8.423 6.678 1.00 0.12 N ATOM 1415 CA LEU A 412 -8.470 -7.836 6.389 1.00 0.10 C ATOM 1416 C LEU A 412 -8.503 -6.387 6.815 1.00 0.09 C ATOM 1417 O LEU A 412 -8.269 -6.062 7.980 1.00 0.10 O ATOM 1418 CB LEU A 412 -9.583 -8.590 7.102 1.00 0.12 C ATOM 1419 CG LEU A 412 -10.719 -9.050 6.209 1.00 0.13 C ATOM 1420 CD1 LEU A 412 -11.020 -8.001 5.175 1.00 0.12 C ATOM 1421 CD2 LEU A 412 -10.357 -10.361 5.559 1.00 0.15 C ATOM 0 H LEU A 412 -7.141 -8.980 7.532 1.00 0.12 H new ATOM 0 HA LEU A 412 -8.629 -7.904 5.313 1.00 0.10 H new ATOM 0 HB2 LEU A 412 -9.153 -9.462 7.595 1.00 0.12 H new ATOM 0 HB3 LEU A 412 -9.992 -7.950 7.884 1.00 0.12 H new ATOM 0 HG LEU A 412 -11.615 -9.199 6.811 1.00 0.13 H new ATOM 0 HD11 LEU A 412 -11.837 -8.341 4.539 1.00 0.12 H new ATOM 0 HD12 LEU A 412 -11.308 -7.074 5.670 1.00 0.12 H new ATOM 0 HD13 LEU A 412 -10.134 -7.827 4.565 1.00 0.12 H new ATOM 0 HD21 LEU A 412 -11.176 -10.688 4.918 1.00 0.15 H new ATOM 0 HD22 LEU A 412 -9.456 -10.233 4.959 1.00 0.15 H new ATOM 0 HD23 LEU A 412 -10.177 -11.111 6.329 1.00 0.15 H new ATOM 1433 N PHE A 413 -8.807 -5.528 5.867 1.00 0.09 N ATOM 1434 CA PHE A 413 -8.774 -4.094 6.099 1.00 0.10 C ATOM 1435 C PHE A 413 -10.108 -3.475 5.719 1.00 0.09 C ATOM 1436 O PHE A 413 -11.017 -4.166 5.258 1.00 0.10 O ATOM 1437 CB PHE A 413 -7.659 -3.415 5.296 1.00 0.12 C ATOM 1438 CG PHE A 413 -6.294 -4.036 5.427 1.00 0.11 C ATOM 1439 CD1 PHE A 413 -5.947 -4.794 6.532 1.00 0.12 C ATOM 1440 CD2 PHE A 413 -5.361 -3.862 4.426 1.00 0.12 C ATOM 1441 CE1 PHE A 413 -4.695 -5.364 6.636 1.00 0.13 C ATOM 1442 CE2 PHE A 413 -4.111 -4.428 4.523 1.00 0.13 C ATOM 1443 CZ PHE A 413 -3.777 -5.183 5.629 1.00 0.14 C ATOM 0 H PHE A 413 -9.082 -5.796 4.922 1.00 0.09 H new ATOM 0 HA PHE A 413 -8.577 -3.939 7.160 1.00 0.10 H new ATOM 0 HB2 PHE A 413 -7.940 -3.418 4.243 1.00 0.12 H new ATOM 0 HB3 PHE A 413 -7.596 -2.372 5.606 1.00 0.12 H new ATOM 0 HD1 PHE A 413 -6.666 -4.941 7.324 1.00 0.12 H new ATOM 0 HD2 PHE A 413 -5.615 -3.275 3.556 1.00 0.12 H new ATOM 0 HE1 PHE A 413 -4.437 -5.950 7.506 1.00 0.13 H new ATOM 0 HE2 PHE A 413 -3.390 -4.281 3.732 1.00 0.13 H new ATOM 0 HZ PHE A 413 -2.797 -5.630 5.703 1.00 0.14 H new ATOM 1453 N ARG A 414 -10.204 -2.170 5.886 1.00 0.11 N ATOM 1454 CA ARG A 414 -11.453 -1.466 5.693 1.00 0.10 C ATOM 1455 C ARG A 414 -11.211 -0.080 5.112 1.00 0.09 C ATOM 1456 O ARG A 414 -10.545 0.751 5.735 1.00 0.12 O ATOM 1457 CB ARG A 414 -12.151 -1.360 7.043 1.00 0.16 C ATOM 1458 CG ARG A 414 -13.516 -0.708 7.011 1.00 0.22 C ATOM 1459 CD ARG A 414 -14.170 -0.808 8.377 1.00 0.35 C ATOM 1460 NE ARG A 414 -15.587 -0.465 8.348 1.00 0.99 N ATOM 1461 CZ ARG A 414 -16.551 -1.284 8.761 1.00 1.11 C ATOM 1462 NH1 ARG A 414 -16.251 -2.492 9.233 1.00 1.13 N ATOM 1463 NH2 ARG A 414 -17.817 -0.888 8.715 1.00 2.09 N ATOM 0 H ARG A 414 -9.423 -1.573 6.158 1.00 0.11 H new ATOM 0 HA ARG A 414 -12.078 -2.013 4.987 1.00 0.10 H new ATOM 0 HB2 ARG A 414 -12.254 -2.361 7.461 1.00 0.16 H new ATOM 0 HB3 ARG A 414 -11.512 -0.795 7.722 1.00 0.16 H new ATOM 0 HG2 ARG A 414 -13.422 0.338 6.719 1.00 0.22 H new ATOM 0 HG3 ARG A 414 -14.142 -1.193 6.262 1.00 0.22 H new ATOM 0 HD2 ARG A 414 -14.054 -1.823 8.758 1.00 0.35 H new ATOM 0 HD3 ARG A 414 -13.654 -0.146 9.072 1.00 0.35 H new ATOM 0 HE ARG A 414 -15.854 0.453 7.992 1.00 0.99 H new ATOM 0 HH11 ARG A 414 -15.278 -2.794 9.280 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -16.994 -3.115 9.548 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -18.048 0.041 8.364 1.00 2.09 H new ATOM 0 HH22 ARG A 414 -18.559 -1.513 9.031 1.00 2.09 H new ATOM 1477 N PHE A 415 -11.731 0.159 3.915 1.00 0.10 N ATOM 1478 CA PHE A 415 -11.672 1.482 3.313 1.00 0.11 C ATOM 1479 C PHE A 415 -12.737 2.381 3.934 1.00 0.12 C ATOM 1480 O PHE A 415 -13.920 2.290 3.602 1.00 0.18 O ATOM 1481 CB PHE A 415 -11.861 1.421 1.789 1.00 0.14 C ATOM 1482 CG PHE A 415 -10.606 1.122 1.008 1.00 0.15 C ATOM 1483 CD1 PHE A 415 -9.642 2.103 0.840 1.00 0.17 C ATOM 1484 CD2 PHE A 415 -10.396 -0.123 0.427 1.00 0.17 C ATOM 1485 CE1 PHE A 415 -8.497 1.855 0.113 1.00 0.20 C ATOM 1486 CE2 PHE A 415 -9.245 -0.378 -0.303 1.00 0.20 C ATOM 1487 CZ PHE A 415 -8.296 0.613 -0.457 1.00 0.21 C ATOM 0 H PHE A 415 -12.197 -0.546 3.344 1.00 0.10 H new ATOM 0 HA PHE A 415 -10.683 1.895 3.509 1.00 0.11 H new ATOM 0 HB2 PHE A 415 -12.605 0.659 1.559 1.00 0.14 H new ATOM 0 HB3 PHE A 415 -12.266 2.374 1.449 1.00 0.14 H new ATOM 0 HD1 PHE A 415 -9.790 3.076 1.285 1.00 0.17 H new ATOM 0 HD2 PHE A 415 -11.137 -0.900 0.545 1.00 0.17 H new ATOM 0 HE1 PHE A 415 -7.757 2.632 -0.011 1.00 0.20 H new ATOM 0 HE2 PHE A 415 -9.091 -1.349 -0.750 1.00 0.20 H new ATOM 0 HZ PHE A 415 -7.397 0.417 -1.023 1.00 0.21 H new ATOM 1497 N MET A 416 -12.307 3.238 4.847 1.00 0.14 N ATOM 1498 CA MET A 416 -13.211 4.148 5.544 1.00 0.17 C ATOM 1499 C MET A 416 -13.696 5.240 4.602 1.00 0.20 C ATOM 1500 O MET A 416 -14.769 5.818 4.791 1.00 0.29 O ATOM 1501 CB MET A 416 -12.507 4.779 6.747 1.00 0.23 C ATOM 1502 CG MET A 416 -12.093 3.781 7.815 1.00 0.30 C ATOM 1503 SD MET A 416 -13.503 3.086 8.699 1.00 1.30 S ATOM 1504 CE MET A 416 -14.185 4.569 9.438 1.00 1.23 C ATOM 0 H MET A 416 -11.330 3.325 5.126 1.00 0.14 H new ATOM 0 HA MET A 416 -14.070 3.576 5.894 1.00 0.17 H new ATOM 0 HB2 MET A 416 -11.622 5.311 6.399 1.00 0.23 H new ATOM 0 HB3 MET A 416 -13.169 5.520 7.194 1.00 0.23 H new ATOM 0 HG2 MET A 416 -11.525 2.974 7.352 1.00 0.30 H new ATOM 0 HG3 MET A 416 -11.428 4.271 8.527 1.00 0.30 H new ATOM 0 HE1 MET A 416 -14.749 4.304 10.332 1.00 1.23 H new ATOM 0 HE2 MET A 416 -13.375 5.247 9.708 1.00 1.23 H new ATOM 0 HE3 MET A 416 -14.846 5.060 8.724 1.00 1.23 H new ATOM 1514 N LYS A 417 -12.888 5.523 3.593 1.00 0.18 N ATOM 1515 CA LYS A 417 -13.230 6.513 2.592 1.00 0.21 C ATOM 1516 C LYS A 417 -12.575 6.176 1.265 1.00 0.22 C ATOM 1517 O LYS A 417 -11.581 5.452 1.210 1.00 0.26 O ATOM 1518 CB LYS A 417 -12.816 7.909 3.046 1.00 0.22 C ATOM 1519 CG LYS A 417 -11.365 8.024 3.464 1.00 0.18 C ATOM 1520 CD LYS A 417 -10.985 9.473 3.719 1.00 0.20 C ATOM 1521 CE LYS A 417 -9.968 9.607 4.837 1.00 0.36 C ATOM 1522 NZ LYS A 417 -10.532 9.184 6.146 1.00 0.61 N ATOM 0 H LYS A 417 -11.983 5.075 3.448 1.00 0.18 H new ATOM 0 HA LYS A 417 -14.312 6.502 2.460 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -13.005 8.613 2.236 1.00 0.22 H new ATOM 0 HB3 LYS A 417 -13.448 8.209 3.882 1.00 0.22 H new ATOM 0 HG2 LYS A 417 -11.195 7.436 4.366 1.00 0.18 H new ATOM 0 HG3 LYS A 417 -10.725 7.608 2.686 1.00 0.18 H new ATOM 0 HD2 LYS A 417 -10.578 9.907 2.806 1.00 0.20 H new ATOM 0 HD3 LYS A 417 -11.879 10.043 3.972 1.00 0.20 H new ATOM 0 HE2 LYS A 417 -9.091 9.002 4.606 1.00 0.36 H new ATOM 0 HE3 LYS A 417 -9.633 10.642 4.902 1.00 0.36 H new ATOM 0 HZ1 LYS A 417 -9.891 9.476 6.911 1.00 0.61 H new ATOM 0 HZ2 LYS A 417 -11.461 9.630 6.284 1.00 0.61 H new ATOM 0 HZ3 LYS A 417 -10.639 8.150 6.160 1.00 0.61 H new ATOM 1536 N THR A 418 -13.144 6.713 0.207 1.00 0.24 N ATOM 1537 CA THR A 418 -12.692 6.433 -1.141 1.00 0.26 C ATOM 1538 C THR A 418 -11.834 7.580 -1.681 1.00 0.23 C ATOM 1539 O THR A 418 -11.771 8.641 -1.061 1.00 0.21 O ATOM 1540 CB THR A 418 -13.904 6.188 -2.064 1.00 0.34 C ATOM 1541 OG1 THR A 418 -14.863 7.254 -1.934 1.00 0.37 O ATOM 1542 CG2 THR A 418 -14.564 4.857 -1.731 1.00 0.40 C ATOM 0 H THR A 418 -13.934 7.357 0.256 1.00 0.24 H new ATOM 0 HA THR A 418 -12.076 5.534 -1.117 1.00 0.26 H new ATOM 0 HB THR A 418 -13.547 6.160 -3.094 1.00 0.34 H new ATOM 0 HG1 THR A 418 -15.303 7.193 -1.060 1.00 0.37 H new ATOM 0 HG21 THR A 418 -15.417 4.699 -2.391 1.00 0.40 H new ATOM 0 HG22 THR A 418 -13.845 4.050 -1.868 1.00 0.40 H new ATOM 0 HG23 THR A 418 -14.903 4.868 -0.695 1.00 0.40 H new ATOM 1550 N PRO A 419 -11.146 7.369 -2.829 1.00 0.24 N ATOM 1551 CA PRO A 419 -10.316 8.390 -3.490 1.00 0.24 C ATOM 1552 C PRO A 419 -10.892 9.802 -3.409 1.00 0.28 C ATOM 1553 O PRO A 419 -10.227 10.719 -2.931 1.00 0.28 O ATOM 1554 CB PRO A 419 -10.323 7.910 -4.935 1.00 0.29 C ATOM 1555 CG PRO A 419 -10.342 6.425 -4.829 1.00 0.30 C ATOM 1556 CD PRO A 419 -11.105 6.093 -3.572 1.00 0.28 C ATOM 0 HA PRO A 419 -9.334 8.477 -3.026 1.00 0.24 H new ATOM 0 HB2 PRO A 419 -11.195 8.282 -5.473 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -9.443 8.259 -5.474 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -10.820 5.980 -5.702 1.00 0.30 H new ATOM 0 HG3 PRO A 419 -9.328 6.027 -4.784 1.00 0.30 H new ATOM 0 HD2 PRO A 419 -12.108 5.731 -3.798 1.00 0.28 H new ATOM 0 HD3 PRO A 419 -10.606 5.313 -2.997 1.00 0.28 H new ATOM 1564 N ASP A 420 -12.135 9.954 -3.859 1.00 0.34 N ATOM 1565 CA ASP A 420 -12.816 11.251 -3.887 1.00 0.43 C ATOM 1566 C ASP A 420 -12.776 11.933 -2.522 1.00 0.40 C ATOM 1567 O ASP A 420 -12.554 13.141 -2.421 1.00 0.44 O ATOM 1568 CB ASP A 420 -14.271 11.055 -4.326 1.00 0.55 C ATOM 1569 CG ASP A 420 -15.029 12.358 -4.483 1.00 0.73 C ATOM 1570 OD1 ASP A 420 -14.949 12.965 -5.572 1.00 0.84 O ATOM 1571 OD2 ASP A 420 -15.734 12.765 -3.536 1.00 0.85 O ATOM 0 H ASP A 420 -12.701 9.183 -4.215 1.00 0.34 H new ATOM 0 HA ASP A 420 -12.296 11.893 -4.598 1.00 0.43 H new ATOM 0 HB2 ASP A 420 -14.288 10.516 -5.273 1.00 0.55 H new ATOM 0 HB3 ASP A 420 -14.783 10.430 -3.594 1.00 0.55 H new ATOM 1576 N GLU A 421 -12.959 11.137 -1.479 1.00 0.35 N ATOM 1577 CA GLU A 421 -12.995 11.640 -0.112 1.00 0.35 C ATOM 1578 C GLU A 421 -11.599 12.007 0.392 1.00 0.32 C ATOM 1579 O GLU A 421 -11.427 12.974 1.136 1.00 0.37 O ATOM 1580 CB GLU A 421 -13.620 10.583 0.791 1.00 0.34 C ATOM 1581 CG GLU A 421 -15.086 10.340 0.491 1.00 0.42 C ATOM 1582 CD GLU A 421 -15.609 9.070 1.126 1.00 0.42 C ATOM 1583 OE1 GLU A 421 -15.498 7.998 0.493 1.00 0.38 O ATOM 1584 OE2 GLU A 421 -16.125 9.135 2.261 1.00 0.51 O ATOM 0 H GLU A 421 -13.086 10.128 -1.555 1.00 0.35 H new ATOM 0 HA GLU A 421 -13.596 12.549 -0.094 1.00 0.35 H new ATOM 0 HB2 GLU A 421 -13.072 9.647 0.679 1.00 0.34 H new ATOM 0 HB3 GLU A 421 -13.514 10.892 1.831 1.00 0.34 H new ATOM 0 HG2 GLU A 421 -15.671 11.188 0.848 1.00 0.42 H new ATOM 0 HG3 GLU A 421 -15.228 10.287 -0.588 1.00 0.42 H new ATOM 1591 N ILE A 422 -10.600 11.237 -0.022 1.00 0.26 N ATOM 1592 CA ILE A 422 -9.237 11.420 0.461 1.00 0.24 C ATOM 1593 C ILE A 422 -8.575 12.634 -0.188 1.00 0.29 C ATOM 1594 O ILE A 422 -7.696 13.268 0.404 1.00 0.32 O ATOM 1595 CB ILE A 422 -8.380 10.167 0.197 1.00 0.19 C ATOM 1596 CG1 ILE A 422 -9.115 8.921 0.696 1.00 0.18 C ATOM 1597 CG2 ILE A 422 -7.024 10.298 0.885 1.00 0.24 C ATOM 1598 CD1 ILE A 422 -8.508 7.620 0.230 1.00 0.18 C ATOM 0 H ILE A 422 -10.709 10.477 -0.694 1.00 0.26 H new ATOM 0 HA ILE A 422 -9.300 11.587 1.536 1.00 0.24 H new ATOM 0 HB ILE A 422 -8.213 10.071 -0.876 1.00 0.19 H new ATOM 0 HG12 ILE A 422 -9.130 8.933 1.786 1.00 0.18 H new ATOM 0 HG13 ILE A 422 -10.152 8.966 0.363 1.00 0.18 H new ATOM 0 HG21 ILE A 422 -6.429 9.406 0.690 1.00 0.24 H new ATOM 0 HG22 ILE A 422 -6.503 11.173 0.498 1.00 0.24 H new ATOM 0 HG23 ILE A 422 -7.170 10.409 1.959 1.00 0.24 H new ATOM 0 HD11 ILE A 422 -9.087 6.786 0.626 1.00 0.18 H new ATOM 0 HD12 ILE A 422 -8.518 7.583 -0.859 1.00 0.18 H new ATOM 0 HD13 ILE A 422 -7.480 7.550 0.586 1.00 0.18 H new ATOM 1610 N MET A 423 -9.028 12.979 -1.392 1.00 0.36 N ATOM 1611 CA MET A 423 -8.479 14.106 -2.141 1.00 0.46 C ATOM 1612 C MET A 423 -8.842 15.446 -1.494 1.00 0.55 C ATOM 1613 O MET A 423 -8.641 16.506 -2.085 1.00 0.71 O ATOM 1614 CB MET A 423 -8.992 14.074 -3.580 1.00 0.56 C ATOM 1615 CG MET A 423 -8.622 12.812 -4.338 1.00 0.59 C ATOM 1616 SD MET A 423 -9.306 12.784 -6.007 1.00 0.83 S ATOM 1617 CE MET A 423 -8.969 11.090 -6.480 1.00 1.83 C ATOM 0 H MET A 423 -9.782 12.488 -1.873 1.00 0.36 H new ATOM 0 HA MET A 423 -7.393 14.012 -2.134 1.00 0.46 H new ATOM 0 HB2 MET A 423 -10.077 14.175 -3.571 1.00 0.56 H new ATOM 0 HB3 MET A 423 -8.596 14.937 -4.116 1.00 0.56 H new ATOM 0 HG2 MET A 423 -7.536 12.729 -4.392 1.00 0.59 H new ATOM 0 HG3 MET A 423 -8.981 11.943 -3.787 1.00 0.59 H new ATOM 0 HE1 MET A 423 -8.855 11.030 -7.562 1.00 1.83 H new ATOM 0 HE2 MET A 423 -8.050 10.754 -6.000 1.00 1.83 H new ATOM 0 HE3 MET A 423 -9.796 10.453 -6.166 1.00 1.83 H new ATOM 1627 N SER A 424 -9.374 15.389 -0.279 1.00 0.60 N ATOM 1628 CA SER A 424 -9.744 16.580 0.467 1.00 0.72 C ATOM 1629 C SER A 424 -8.499 17.311 0.980 1.00 0.74 C ATOM 1630 O SER A 424 -8.597 18.424 1.494 1.00 0.94 O ATOM 1631 CB SER A 424 -10.660 16.191 1.632 1.00 1.07 C ATOM 1632 OG SER A 424 -11.211 17.331 2.270 1.00 1.70 O ATOM 0 H SER A 424 -9.560 14.516 0.214 1.00 0.60 H new ATOM 0 HA SER A 424 -10.279 17.260 -0.196 1.00 0.72 H new ATOM 0 HB2 SER A 424 -11.465 15.555 1.265 1.00 1.07 H new ATOM 0 HB3 SER A 424 -10.096 15.605 2.358 1.00 1.07 H new ATOM 0 HG SER A 424 -10.558 18.062 2.255 1.00 1.70 H new ATOM 1638 N GLY A 425 -7.332 16.687 0.835 1.00 0.81 N ATOM 1639 CA GLY A 425 -6.098 17.339 1.238 1.00 1.23 C ATOM 1640 C GLY A 425 -5.075 16.380 1.814 1.00 0.79 C ATOM 1641 O GLY A 425 -3.880 16.668 1.808 1.00 1.10 O ATOM 0 H GLY A 425 -7.219 15.750 0.449 1.00 0.81 H new ATOM 0 HA2 GLY A 425 -5.665 17.847 0.376 1.00 1.23 H new ATOM 0 HA3 GLY A 425 -6.325 18.106 1.979 1.00 1.23 H new ATOM 1645 N ARG A 426 -5.541 15.232 2.298 1.00 0.59 N ATOM 1646 CA ARG A 426 -4.678 14.243 2.921 1.00 0.47 C ATOM 1647 C ARG A 426 -3.682 13.653 1.927 1.00 0.40 C ATOM 1648 O ARG A 426 -2.646 13.111 2.310 1.00 0.47 O ATOM 1649 CB ARG A 426 -5.539 13.121 3.495 1.00 0.94 C ATOM 1650 CG ARG A 426 -6.059 13.374 4.893 1.00 1.03 C ATOM 1651 CD ARG A 426 -7.009 14.559 4.967 1.00 1.41 C ATOM 1652 NE ARG A 426 -7.599 14.691 6.298 1.00 1.79 N ATOM 1653 CZ ARG A 426 -8.571 15.547 6.617 1.00 2.26 C ATOM 1654 NH1 ARG A 426 -8.987 16.456 5.743 1.00 2.43 N ATOM 1655 NH2 ARG A 426 -9.092 15.520 7.835 1.00 2.85 N ATOM 0 H ARG A 426 -6.525 14.965 2.268 1.00 0.59 H new ATOM 0 HA ARG A 426 -4.112 14.737 3.710 1.00 0.47 H new ATOM 0 HB2 ARG A 426 -6.388 12.957 2.831 1.00 0.94 H new ATOM 0 HB3 ARG A 426 -4.955 12.200 3.500 1.00 0.94 H new ATOM 0 HG2 ARG A 426 -6.572 12.481 5.251 1.00 1.03 H new ATOM 0 HG3 ARG A 426 -5.217 13.548 5.562 1.00 1.03 H new ATOM 0 HD2 ARG A 426 -6.472 15.473 4.714 1.00 1.41 H new ATOM 0 HD3 ARG A 426 -7.801 14.439 4.227 1.00 1.41 H new ATOM 0 HE ARG A 426 -7.242 14.085 7.036 1.00 1.79 H new ATOM 0 HH11 ARG A 426 -8.563 16.505 4.817 1.00 2.43 H new ATOM 0 HH12 ARG A 426 -9.731 17.106 5.998 1.00 2.43 H new ATOM 0 HH21 ARG A 426 -8.749 14.848 8.521 1.00 2.85 H new ATOM 0 HH22 ARG A 426 -9.836 16.172 8.086 1.00 2.85 H new ATOM 1669 N THR A 427 -4.001 13.780 0.651 1.00 0.36 N ATOM 1670 CA THR A 427 -3.268 13.110 -0.405 1.00 0.33 C ATOM 1671 C THR A 427 -1.897 13.733 -0.676 1.00 0.37 C ATOM 1672 O THR A 427 -0.994 13.053 -1.156 1.00 0.38 O ATOM 1673 CB THR A 427 -4.098 13.123 -1.693 1.00 0.35 C ATOM 1674 OG1 THR A 427 -4.641 14.437 -1.897 1.00 0.48 O ATOM 1675 CG2 THR A 427 -5.231 12.118 -1.615 1.00 0.33 C ATOM 0 H THR A 427 -4.777 14.352 0.319 1.00 0.36 H new ATOM 0 HA THR A 427 -3.092 12.088 -0.068 1.00 0.33 H new ATOM 0 HB THR A 427 -3.450 12.852 -2.526 1.00 0.35 H new ATOM 0 HG1 THR A 427 -5.171 14.448 -2.721 1.00 0.48 H new ATOM 0 HG21 THR A 427 -5.806 12.145 -2.541 1.00 0.33 H new ATOM 0 HG22 THR A 427 -4.821 11.118 -1.472 1.00 0.33 H new ATOM 0 HG23 THR A 427 -5.881 12.367 -0.776 1.00 0.33 H new ATOM 1683 N ASP A 428 -1.737 15.012 -0.353 1.00 0.45 N ATOM 1684 CA ASP A 428 -0.518 15.742 -0.704 1.00 0.54 C ATOM 1685 C ASP A 428 0.732 15.126 -0.089 1.00 0.55 C ATOM 1686 O ASP A 428 1.729 14.903 -0.778 1.00 0.59 O ATOM 1687 CB ASP A 428 -0.636 17.202 -0.319 1.00 0.67 C ATOM 1688 CG ASP A 428 -1.285 18.034 -1.409 1.00 1.23 C ATOM 1689 OD1 ASP A 428 -0.562 18.525 -2.302 1.00 1.76 O ATOM 1690 OD2 ASP A 428 -2.521 18.219 -1.363 1.00 1.53 O ATOM 0 H ASP A 428 -2.431 15.565 0.149 1.00 0.45 H new ATOM 0 HA ASP A 428 -0.409 15.669 -1.786 1.00 0.54 H new ATOM 0 HB2 ASP A 428 -1.220 17.288 0.597 1.00 0.67 H new ATOM 0 HB3 ASP A 428 0.356 17.600 -0.103 1.00 0.67 H new ATOM 1695 N ARG A 429 0.666 14.827 1.197 1.00 0.54 N ATOM 1696 CA ARG A 429 1.791 14.222 1.900 1.00 0.58 C ATOM 1697 C ARG A 429 1.947 12.760 1.505 1.00 0.45 C ATOM 1698 O ARG A 429 3.030 12.203 1.593 1.00 0.46 O ATOM 1699 CB ARG A 429 1.613 14.366 3.418 1.00 0.72 C ATOM 1700 CG ARG A 429 2.726 13.727 4.237 1.00 0.88 C ATOM 1701 CD ARG A 429 2.917 14.441 5.566 1.00 1.22 C ATOM 1702 NE ARG A 429 3.402 15.805 5.368 1.00 1.86 N ATOM 1703 CZ ARG A 429 2.956 16.867 6.029 1.00 2.48 C ATOM 1704 NH1 ARG A 429 2.056 16.732 6.996 1.00 2.68 N ATOM 1705 NH2 ARG A 429 3.434 18.066 5.723 1.00 3.43 N ATOM 0 H ARG A 429 -0.155 14.993 1.779 1.00 0.54 H new ATOM 0 HA ARG A 429 2.703 14.746 1.613 1.00 0.58 H new ATOM 0 HB2 ARG A 429 1.555 15.425 3.667 1.00 0.72 H new ATOM 0 HB3 ARG A 429 0.662 13.918 3.706 1.00 0.72 H new ATOM 0 HG2 ARG A 429 2.491 12.678 4.416 1.00 0.88 H new ATOM 0 HG3 ARG A 429 3.657 13.753 3.671 1.00 0.88 H new ATOM 0 HD2 ARG A 429 1.972 14.463 6.109 1.00 1.22 H new ATOM 0 HD3 ARG A 429 3.625 13.886 6.181 1.00 1.22 H new ATOM 0 HE ARG A 429 4.134 15.952 4.673 1.00 1.86 H new ATOM 0 HH11 ARG A 429 1.701 15.807 7.237 1.00 2.68 H new ATOM 0 HH12 ARG A 429 1.720 17.554 7.498 1.00 2.68 H new ATOM 0 HH21 ARG A 429 4.135 18.163 4.988 1.00 3.43 H new ATOM 0 HH22 ARG A 429 3.101 18.891 6.222 1.00 3.43 H new ATOM 1719 N LEU A 430 0.868 12.156 1.037 1.00 0.38 N ATOM 1720 CA LEU A 430 0.889 10.769 0.607 1.00 0.32 C ATOM 1721 C LEU A 430 1.603 10.647 -0.729 1.00 0.30 C ATOM 1722 O LEU A 430 2.431 9.758 -0.929 1.00 0.33 O ATOM 1723 CB LEU A 430 -0.532 10.251 0.477 1.00 0.31 C ATOM 1724 CG LEU A 430 -1.330 10.196 1.772 1.00 0.42 C ATOM 1725 CD1 LEU A 430 -2.753 9.767 1.468 1.00 0.70 C ATOM 1726 CD2 LEU A 430 -0.668 9.242 2.765 1.00 0.61 C ATOM 0 H LEU A 430 -0.041 12.610 0.945 1.00 0.38 H new ATOM 0 HA LEU A 430 1.423 10.176 1.350 1.00 0.32 H new ATOM 0 HB2 LEU A 430 -1.067 10.882 -0.233 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -0.497 9.249 0.049 1.00 0.31 H new ATOM 0 HG LEU A 430 -1.352 11.186 2.228 1.00 0.42 H new ATOM 0 HD11 LEU A 430 -3.327 9.727 2.394 1.00 0.70 H new ATOM 0 HD12 LEU A 430 -3.212 10.484 0.788 1.00 0.70 H new ATOM 0 HD13 LEU A 430 -2.744 8.781 1.004 1.00 0.70 H new ATOM 0 HD21 LEU A 430 -1.250 9.214 3.686 1.00 0.61 H new ATOM 0 HD22 LEU A 430 -0.622 8.242 2.334 1.00 0.61 H new ATOM 0 HD23 LEU A 430 0.342 9.589 2.985 1.00 0.61 H new ATOM 1738 N GLU A 431 1.273 11.562 -1.633 1.00 0.31 N ATOM 1739 CA GLU A 431 1.937 11.664 -2.925 1.00 0.35 C ATOM 1740 C GLU A 431 3.439 11.822 -2.735 1.00 0.39 C ATOM 1741 O GLU A 431 4.239 11.392 -3.565 1.00 0.44 O ATOM 1742 CB GLU A 431 1.369 12.843 -3.702 1.00 0.39 C ATOM 1743 CG GLU A 431 0.000 12.573 -4.296 1.00 0.50 C ATOM 1744 CD GLU A 431 0.079 12.093 -5.731 1.00 1.35 C ATOM 1745 OE1 GLU A 431 0.481 12.896 -6.600 1.00 1.54 O ATOM 1746 OE2 GLU A 431 -0.255 10.920 -6.002 1.00 2.30 O ATOM 0 H GLU A 431 0.537 12.254 -1.490 1.00 0.31 H new ATOM 0 HA GLU A 431 1.759 10.750 -3.492 1.00 0.35 H new ATOM 0 HB2 GLU A 431 1.305 13.707 -3.041 1.00 0.39 H new ATOM 0 HB3 GLU A 431 2.059 13.106 -4.504 1.00 0.39 H new ATOM 0 HG2 GLU A 431 -0.514 11.824 -3.693 1.00 0.50 H new ATOM 0 HG3 GLU A 431 -0.598 13.483 -4.252 1.00 0.50 H new ATOM 1753 N HIS A 432 3.808 12.458 -1.632 1.00 0.39 N ATOM 1754 CA HIS A 432 5.201 12.594 -1.249 1.00 0.45 C ATOM 1755 C HIS A 432 5.695 11.323 -0.559 1.00 0.44 C ATOM 1756 O HIS A 432 6.790 10.835 -0.837 1.00 0.52 O ATOM 1757 CB HIS A 432 5.377 13.784 -0.302 1.00 0.50 C ATOM 1758 CG HIS A 432 6.816 14.103 -0.031 1.00 0.55 C ATOM 1759 ND1 HIS A 432 7.566 14.932 -0.831 1.00 0.87 N ATOM 1760 CD2 HIS A 432 7.652 13.664 0.935 1.00 0.70 C ATOM 1761 CE1 HIS A 432 8.801 14.983 -0.372 1.00 0.91 C ATOM 1762 NE2 HIS A 432 8.884 14.221 0.702 1.00 0.77 N ATOM 0 H HIS A 432 3.152 12.891 -0.982 1.00 0.39 H new ATOM 0 HA HIS A 432 5.786 12.760 -2.153 1.00 0.45 H new ATOM 0 HB2 HIS A 432 4.890 14.659 -0.732 1.00 0.50 H new ATOM 0 HB3 HIS A 432 4.873 13.570 0.641 1.00 0.50 H new ATOM 0 HD2 HIS A 432 7.397 12.996 1.744 1.00 0.70 H new ATOM 0 HE1 HIS A 432 9.610 15.554 -0.803 1.00 0.91 H new ATOM 0 HE2 HIS A 432 9.722 14.071 1.264 1.00 0.77 H new ATOM 1771 N LEU A 433 4.872 10.811 0.347 1.00 0.39 N ATOM 1772 CA LEU A 433 5.235 9.692 1.200 1.00 0.40 C ATOM 1773 C LEU A 433 5.609 8.464 0.393 1.00 0.36 C ATOM 1774 O LEU A 433 6.645 7.882 0.634 1.00 0.35 O ATOM 1775 CB LEU A 433 4.085 9.358 2.154 1.00 0.53 C ATOM 1776 CG LEU A 433 4.493 8.662 3.460 1.00 0.43 C ATOM 1777 CD1 LEU A 433 4.985 7.251 3.203 1.00 0.91 C ATOM 1778 CD2 LEU A 433 5.577 9.455 4.159 1.00 0.73 C ATOM 0 H LEU A 433 3.929 11.164 0.510 1.00 0.39 H new ATOM 0 HA LEU A 433 6.111 9.991 1.776 1.00 0.40 H new ATOM 0 HB2 LEU A 433 3.562 10.281 2.403 1.00 0.53 H new ATOM 0 HB3 LEU A 433 3.374 8.720 1.629 1.00 0.53 H new ATOM 0 HG LEU A 433 3.610 8.609 4.097 1.00 0.43 H new ATOM 0 HD11 LEU A 433 5.266 6.786 4.148 1.00 0.91 H new ATOM 0 HD12 LEU A 433 4.192 6.669 2.734 1.00 0.91 H new ATOM 0 HD13 LEU A 433 5.851 7.282 2.542 1.00 0.91 H new ATOM 0 HD21 LEU A 433 5.858 8.951 5.084 1.00 0.73 H new ATOM 0 HD22 LEU A 433 6.448 9.532 3.509 1.00 0.73 H new ATOM 0 HD23 LEU A 433 5.206 10.454 4.388 1.00 0.73 H new ATOM 1790 N GLU A 434 4.777 8.068 -0.555 1.00 0.40 N ATOM 1791 CA GLU A 434 4.978 6.798 -1.254 1.00 0.45 C ATOM 1792 C GLU A 434 6.326 6.706 -1.929 1.00 0.45 C ATOM 1793 O GLU A 434 6.941 5.656 -1.935 1.00 0.56 O ATOM 1794 CB GLU A 434 3.856 6.540 -2.224 1.00 0.66 C ATOM 1795 CG GLU A 434 2.563 6.447 -1.475 1.00 0.80 C ATOM 1796 CD GLU A 434 1.385 6.082 -2.333 1.00 1.20 C ATOM 1797 OE1 GLU A 434 1.596 5.415 -3.360 1.00 1.47 O ATOM 1798 OE2 GLU A 434 0.246 6.484 -2.002 1.00 1.75 O ATOM 0 H GLU A 434 3.961 8.598 -0.861 1.00 0.40 H new ATOM 0 HA GLU A 434 4.966 6.014 -0.497 1.00 0.45 H new ATOM 0 HB2 GLU A 434 3.806 7.342 -2.960 1.00 0.66 H new ATOM 0 HB3 GLU A 434 4.039 5.615 -2.772 1.00 0.66 H new ATOM 0 HG2 GLU A 434 2.666 5.705 -0.683 1.00 0.80 H new ATOM 0 HG3 GLU A 434 2.365 7.404 -0.992 1.00 0.80 H new ATOM 1805 N SER A 435 6.805 7.796 -2.456 1.00 0.46 N ATOM 1806 CA SER A 435 8.139 7.811 -3.011 1.00 0.53 C ATOM 1807 C SER A 435 9.178 7.738 -1.895 1.00 0.50 C ATOM 1808 O SER A 435 10.230 7.117 -2.037 1.00 0.58 O ATOM 1809 CB SER A 435 8.334 9.077 -3.813 1.00 0.62 C ATOM 1810 OG SER A 435 7.351 10.045 -3.480 1.00 1.01 O ATOM 0 H SER A 435 6.302 8.681 -2.516 1.00 0.46 H new ATOM 0 HA SER A 435 8.265 6.945 -3.661 1.00 0.53 H new ATOM 0 HB2 SER A 435 9.328 9.482 -3.624 1.00 0.62 H new ATOM 0 HB3 SER A 435 8.280 8.850 -4.878 1.00 0.62 H new ATOM 0 HG SER A 435 7.400 10.245 -2.522 1.00 1.01 H new ATOM 1816 N GLN A 436 8.842 8.364 -0.782 1.00 0.43 N ATOM 1817 CA GLN A 436 9.714 8.525 0.344 1.00 0.48 C ATOM 1818 C GLN A 436 9.810 7.244 1.184 1.00 0.45 C ATOM 1819 O GLN A 436 10.872 6.919 1.693 1.00 0.51 O ATOM 1820 CB GLN A 436 9.191 9.699 1.149 1.00 0.52 C ATOM 1821 CG GLN A 436 9.391 9.520 2.606 1.00 0.77 C ATOM 1822 CD GLN A 436 8.854 10.673 3.428 1.00 0.77 C ATOM 1823 OE1 GLN A 436 7.882 11.325 3.047 1.00 1.27 O ATOM 1824 NE2 GLN A 436 9.492 10.943 4.551 1.00 1.38 N ATOM 0 H GLN A 436 7.923 8.784 -0.643 1.00 0.43 H new ATOM 0 HA GLN A 436 10.732 8.723 0.010 1.00 0.48 H new ATOM 0 HB2 GLN A 436 9.694 10.610 0.825 1.00 0.52 H new ATOM 0 HB3 GLN A 436 8.129 9.831 0.945 1.00 0.52 H new ATOM 0 HG2 GLN A 436 8.903 8.598 2.923 1.00 0.77 H new ATOM 0 HG3 GLN A 436 10.456 9.403 2.808 1.00 0.77 H new ATOM 0 HE21 GLN A 436 10.294 10.378 4.831 1.00 1.38 H new ATOM 0 HE22 GLN A 436 9.184 11.717 5.139 1.00 1.38 H new ATOM 1833 N VAL A 437 8.696 6.534 1.334 1.00 0.38 N ATOM 1834 CA VAL A 437 8.669 5.259 2.053 1.00 0.38 C ATOM 1835 C VAL A 437 9.449 4.206 1.272 1.00 0.42 C ATOM 1836 O VAL A 437 10.046 3.290 1.837 1.00 0.49 O ATOM 1837 CB VAL A 437 7.209 4.794 2.310 1.00 0.33 C ATOM 1838 CG1 VAL A 437 6.365 4.914 1.063 1.00 0.31 C ATOM 1839 CG2 VAL A 437 7.148 3.369 2.821 1.00 0.38 C ATOM 0 H VAL A 437 7.790 6.822 0.964 1.00 0.38 H new ATOM 0 HA VAL A 437 9.144 5.397 3.024 1.00 0.38 H new ATOM 0 HB VAL A 437 6.808 5.455 3.079 1.00 0.33 H new ATOM 0 HG11 VAL A 437 5.350 4.581 1.277 1.00 0.31 H new ATOM 0 HG12 VAL A 437 6.344 5.954 0.736 1.00 0.31 H new ATOM 0 HG13 VAL A 437 6.791 4.294 0.274 1.00 0.31 H new ATOM 0 HG21 VAL A 437 6.108 3.086 2.987 1.00 0.38 H new ATOM 0 HG22 VAL A 437 7.593 2.699 2.085 1.00 0.38 H new ATOM 0 HG23 VAL A 437 7.698 3.295 3.759 1.00 0.38 H new ATOM 1849 N LEU A 438 9.469 4.388 -0.035 1.00 0.41 N ATOM 1850 CA LEU A 438 10.230 3.538 -0.930 1.00 0.48 C ATOM 1851 C LEU A 438 11.657 4.060 -1.036 1.00 0.55 C ATOM 1852 O LEU A 438 12.484 3.542 -1.781 1.00 0.62 O ATOM 1853 CB LEU A 438 9.552 3.547 -2.291 1.00 0.48 C ATOM 1854 CG LEU A 438 8.079 3.133 -2.250 1.00 0.47 C ATOM 1855 CD1 LEU A 438 7.433 3.245 -3.618 1.00 0.51 C ATOM 1856 CD2 LEU A 438 7.924 1.726 -1.688 1.00 0.54 C ATOM 0 H LEU A 438 8.956 5.132 -0.507 1.00 0.41 H new ATOM 0 HA LEU A 438 10.267 2.517 -0.550 1.00 0.48 H new ATOM 0 HB2 LEU A 438 9.627 4.547 -2.717 1.00 0.48 H new ATOM 0 HB3 LEU A 438 10.090 2.875 -2.959 1.00 0.48 H new ATOM 0 HG LEU A 438 7.561 3.823 -1.584 1.00 0.47 H new ATOM 0 HD11 LEU A 438 6.388 2.943 -3.552 1.00 0.51 H new ATOM 0 HD12 LEU A 438 7.492 4.277 -3.965 1.00 0.51 H new ATOM 0 HD13 LEU A 438 7.955 2.595 -4.321 1.00 0.51 H new ATOM 0 HD21 LEU A 438 6.868 1.456 -1.669 1.00 0.54 H new ATOM 0 HD22 LEU A 438 8.468 1.021 -2.317 1.00 0.54 H new ATOM 0 HD23 LEU A 438 8.325 1.693 -0.675 1.00 0.54 H new