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= -1.04 K(o=-2,f=0.59) USER MOD Set 1.2: A 436 GLN : amide:sc= -0.98 K(o=-2,f=-0.03) USER MOD Set 2.1: A 401 ASN : amide:sc= -0.553 K(o=-0.29,f=-5.6!) USER MOD Set 2.2: A 417 LYS NZ :NH3+ -169:sc= 0.264 (180deg=-0.88) USER MOD Single : A 340 TYR OH : rot 80:sc= -2.11! USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 343 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 346 SER OG : rot -39:sc= 0.539 USER MOD Single : A 348 SER OG : rot 180:sc= 0.0232 USER MOD Single : A 350 TYR OH : rot 180:sc= 0.146 USER MOD Single : A 352 ASN : amide:sc= 0.693 K(o=0.69,f=-0.065) USER MOD Single : A 359 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 362 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0173) USER MOD Single : A 370 ASN : amide:sc= -0.0294 K(o=-0.029,f=-2.2) USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 379 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.66) USER MOD Single : A 380 LYS NZ :NH3+ 143:sc= -0.101 (180deg=-0.791) USER MOD Single : A 381 ASN : amide:sc= -0.0533 X(o=-0.053,f=-0.46) USER MOD Single : A 386 THR OG1 : rot -96:sc= 0.922 USER MOD Single : A 387 TYR OH : rot -26:sc= -0.229 USER MOD Single : A 389 LYS NZ :NH3+ -167:sc= -0.065 (180deg=-0.32) USER MOD Single : A 390 MET CE :methyl -126:sc= -5.17! (180deg=-6.16!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 396 HIS : no HE2:sc= -0.469 K(o=-0.47,f=-1.9) USER MOD Single : A 397 TYR OH : rot -123:sc= -3.41! USER MOD Single : A 398 TYR OH : rot 180:sc= -1.74! USER MOD Single : A 399 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0543) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 GLN : amide:sc= -0.446 K(o=-0.45,f=-4.2!) USER MOD Single : A 416 MET CE :methyl -160:sc= -0.173 (180deg=-0.802) USER MOD Single : A 418 THR OG1 : rot -70:sc= 1.01 USER MOD Single : A 423 MET CE :methyl 155:sc= -0.216 (180deg=-1.1) USER MOD Single : A 424 SER OG : rot 180:sc= 0 USER MOD Single : A 427 THR OG1 : rot 96:sc= 0.235 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 336 -2.039 7.323 -6.002 1.00 1.08 N ATOM 81 CA LEU A 336 -1.543 6.892 -4.702 1.00 0.60 C ATOM 82 C LEU A 336 -1.764 5.398 -4.490 1.00 0.50 C ATOM 83 O LEU A 336 -2.457 4.747 -5.276 1.00 0.62 O ATOM 84 CB LEU A 336 -2.233 7.665 -3.571 1.00 0.36 C ATOM 85 CG LEU A 336 -2.047 9.185 -3.579 1.00 0.30 C ATOM 86 CD1 LEU A 336 -2.531 9.795 -2.273 1.00 0.25 C ATOM 87 CD2 LEU A 336 -0.601 9.554 -3.819 1.00 0.39 C ATOM 0 HA LEU A 336 -0.473 7.098 -4.684 1.00 0.60 H new ATOM 0 HB2 LEU A 336 -3.301 7.450 -3.611 1.00 0.36 H new ATOM 0 HB3 LEU A 336 -1.866 7.280 -2.620 1.00 0.36 H new ATOM 0 HG LEU A 336 -2.646 9.587 -4.396 1.00 0.30 H new ATOM 0 HD11 LEU A 336 -2.389 10.875 -2.301 1.00 0.25 H new ATOM 0 HD12 LEU A 336 -3.589 9.571 -2.137 1.00 0.25 H new ATOM 0 HD13 LEU A 336 -1.962 9.376 -1.443 1.00 0.25 H new ATOM 0 HD21 LEU A 336 -0.498 10.639 -3.820 1.00 0.39 H new ATOM 0 HD22 LEU A 336 0.019 9.131 -3.028 1.00 0.39 H new ATOM 0 HD23 LEU A 336 -0.280 9.158 -4.782 1.00 0.39 H new ATOM 99 N LEU A 337 -1.192 4.877 -3.410 1.00 0.39 N ATOM 100 CA LEU A 337 -1.324 3.469 -3.049 1.00 0.30 C ATOM 101 C LEU A 337 -2.786 3.031 -3.006 1.00 0.26 C ATOM 102 O LEU A 337 -3.161 2.060 -3.667 1.00 0.25 O ATOM 103 CB LEU A 337 -0.645 3.226 -1.692 1.00 0.32 C ATOM 104 CG LEU A 337 -1.122 2.008 -0.892 1.00 0.31 C ATOM 105 CD1 LEU A 337 -0.812 0.713 -1.614 1.00 0.24 C ATOM 106 CD2 LEU A 337 -0.479 2.007 0.483 1.00 0.39 C ATOM 0 H LEU A 337 -0.623 5.419 -2.759 1.00 0.39 H new ATOM 0 HA LEU A 337 -0.833 2.869 -3.815 1.00 0.30 H new ATOM 0 HB2 LEU A 337 0.427 3.123 -1.861 1.00 0.32 H new ATOM 0 HB3 LEU A 337 -0.787 4.114 -1.076 1.00 0.32 H new ATOM 0 HG LEU A 337 -2.204 2.079 -0.785 1.00 0.31 H new ATOM 0 HD11 LEU A 337 -1.164 -0.129 -1.018 1.00 0.24 H new ATOM 0 HD12 LEU A 337 -1.313 0.707 -2.582 1.00 0.24 H new ATOM 0 HD13 LEU A 337 0.265 0.628 -1.762 1.00 0.24 H new ATOM 0 HD21 LEU A 337 -0.823 1.139 1.045 1.00 0.39 H new ATOM 0 HD22 LEU A 337 0.605 1.965 0.378 1.00 0.39 H new ATOM 0 HD23 LEU A 337 -0.757 2.917 1.015 1.00 0.39 H new ATOM 118 N TRP A 338 -3.610 3.763 -2.259 1.00 0.25 N ATOM 119 CA TRP A 338 -5.008 3.383 -2.071 1.00 0.24 C ATOM 120 C TRP A 338 -5.777 3.317 -3.393 1.00 0.24 C ATOM 121 O TRP A 338 -6.750 2.583 -3.505 1.00 0.24 O ATOM 122 CB TRP A 338 -5.721 4.295 -1.057 1.00 0.24 C ATOM 123 CG TRP A 338 -5.480 5.769 -1.241 1.00 0.21 C ATOM 124 CD1 TRP A 338 -4.742 6.577 -0.429 1.00 0.20 C ATOM 125 CD2 TRP A 338 -5.989 6.611 -2.281 1.00 0.22 C ATOM 126 NE1 TRP A 338 -4.751 7.862 -0.903 1.00 0.17 N ATOM 127 CE2 TRP A 338 -5.510 7.910 -2.041 1.00 0.19 C ATOM 128 CE3 TRP A 338 -6.798 6.392 -3.391 1.00 0.28 C ATOM 129 CZ2 TRP A 338 -5.814 8.985 -2.877 1.00 0.22 C ATOM 130 CZ3 TRP A 338 -7.098 7.454 -4.219 1.00 0.31 C ATOM 131 CH2 TRP A 338 -6.609 8.736 -3.958 1.00 0.28 C ATOM 0 H TRP A 338 -3.335 4.619 -1.776 1.00 0.25 H new ATOM 0 HA TRP A 338 -4.997 2.375 -1.656 1.00 0.24 H new ATOM 0 HB2 TRP A 338 -6.793 4.108 -1.116 1.00 0.24 H new ATOM 0 HB3 TRP A 338 -5.403 4.014 -0.053 1.00 0.24 H new ATOM 0 HD1 TRP A 338 -4.224 6.251 0.461 1.00 0.20 H new ATOM 0 HE1 TRP A 338 -4.270 8.654 -0.477 1.00 0.17 H new ATOM 0 HE3 TRP A 338 -7.185 5.406 -3.601 1.00 0.28 H new ATOM 0 HZ2 TRP A 338 -5.435 9.976 -2.676 1.00 0.22 H new ATOM 0 HZ3 TRP A 338 -7.722 7.291 -5.085 1.00 0.31 H new ATOM 0 HH2 TRP A 338 -6.865 9.546 -4.625 1.00 0.28 H new ATOM 142 N ASP A 339 -5.336 4.067 -4.394 1.00 0.25 N ATOM 143 CA ASP A 339 -6.009 4.063 -5.690 1.00 0.27 C ATOM 144 C ASP A 339 -5.649 2.806 -6.463 1.00 0.26 C ATOM 145 O ASP A 339 -6.492 2.204 -7.123 1.00 0.33 O ATOM 146 CB ASP A 339 -5.642 5.313 -6.495 1.00 0.36 C ATOM 147 CG ASP A 339 -6.185 5.282 -7.912 1.00 1.00 C ATOM 148 OD1 ASP A 339 -7.416 5.410 -8.086 1.00 1.80 O ATOM 149 OD2 ASP A 339 -5.389 5.115 -8.857 1.00 1.19 O ATOM 0 H ASP A 339 -4.523 4.681 -4.337 1.00 0.25 H new ATOM 0 HA ASP A 339 -7.086 4.073 -5.521 1.00 0.27 H new ATOM 0 HB2 ASP A 339 -6.027 6.195 -5.983 1.00 0.36 H new ATOM 0 HB3 ASP A 339 -4.557 5.412 -6.529 1.00 0.36 H new ATOM 154 N TYR A 340 -4.395 2.395 -6.343 1.00 0.22 N ATOM 155 CA TYR A 340 -3.924 1.197 -7.016 1.00 0.20 C ATOM 156 C TYR A 340 -4.519 -0.056 -6.383 1.00 0.17 C ATOM 157 O TYR A 340 -5.014 -0.938 -7.081 1.00 0.17 O ATOM 158 CB TYR A 340 -2.401 1.123 -6.975 1.00 0.21 C ATOM 159 CG TYR A 340 -1.859 -0.145 -7.578 1.00 0.20 C ATOM 160 CD1 TYR A 340 -1.865 -0.340 -8.949 1.00 0.26 C ATOM 161 CD2 TYR A 340 -1.351 -1.150 -6.771 1.00 0.17 C ATOM 162 CE1 TYR A 340 -1.379 -1.503 -9.505 1.00 0.28 C ATOM 163 CE2 TYR A 340 -0.858 -2.318 -7.319 1.00 0.18 C ATOM 164 CZ TYR A 340 -0.875 -2.487 -8.690 1.00 0.24 C ATOM 165 OH TYR A 340 -0.400 -3.651 -9.247 1.00 0.28 O ATOM 0 H TYR A 340 -3.687 2.874 -5.786 1.00 0.22 H new ATOM 0 HA TYR A 340 -4.250 1.249 -8.055 1.00 0.20 H new ATOM 0 HB2 TYR A 340 -1.986 1.979 -7.508 1.00 0.21 H new ATOM 0 HB3 TYR A 340 -2.066 1.199 -5.940 1.00 0.21 H new ATOM 0 HD1 TYR A 340 -2.257 0.433 -9.593 1.00 0.26 H new ATOM 0 HD2 TYR A 340 -1.340 -1.018 -5.699 1.00 0.17 H new ATOM 0 HE1 TYR A 340 -1.394 -1.640 -10.576 1.00 0.28 H new ATOM 0 HE2 TYR A 340 -0.462 -3.094 -6.680 1.00 0.18 H new ATOM 0 HH TYR A 340 0.505 -3.503 -9.593 1.00 0.28 H new ATOM 175 N VAL A 341 -4.462 -0.128 -5.059 1.00 0.17 N ATOM 176 CA VAL A 341 -4.994 -1.277 -4.337 1.00 0.15 C ATOM 177 C VAL A 341 -6.502 -1.402 -4.553 1.00 0.15 C ATOM 178 O VAL A 341 -7.030 -2.501 -4.721 1.00 0.15 O ATOM 179 CB VAL A 341 -4.664 -1.200 -2.827 1.00 0.16 C ATOM 180 CG1 VAL A 341 -5.028 0.154 -2.254 1.00 0.18 C ATOM 181 CG2 VAL A 341 -5.371 -2.301 -2.055 1.00 0.15 C ATOM 0 H VAL A 341 -4.054 0.594 -4.465 1.00 0.17 H new ATOM 0 HA VAL A 341 -4.512 -2.169 -4.737 1.00 0.15 H new ATOM 0 HB VAL A 341 -3.588 -1.340 -2.722 1.00 0.16 H new ATOM 0 HG11 VAL A 341 -4.784 0.177 -1.192 1.00 0.18 H new ATOM 0 HG12 VAL A 341 -4.466 0.931 -2.772 1.00 0.18 H new ATOM 0 HG13 VAL A 341 -6.096 0.329 -2.385 1.00 0.18 H new ATOM 0 HG21 VAL A 341 -5.121 -2.222 -0.997 1.00 0.15 H new ATOM 0 HG22 VAL A 341 -6.449 -2.199 -2.181 1.00 0.15 H new ATOM 0 HG23 VAL A 341 -5.051 -3.273 -2.432 1.00 0.15 H new ATOM 191 N TYR A 342 -7.177 -0.265 -4.587 1.00 0.17 N ATOM 192 CA TYR A 342 -8.608 -0.227 -4.856 1.00 0.17 C ATOM 193 C TYR A 342 -8.884 -0.675 -6.292 1.00 0.17 C ATOM 194 O TYR A 342 -9.910 -1.293 -6.578 1.00 0.18 O ATOM 195 CB TYR A 342 -9.137 1.190 -4.605 1.00 0.20 C ATOM 196 CG TYR A 342 -10.615 1.380 -4.856 1.00 0.31 C ATOM 197 CD1 TYR A 342 -11.557 0.518 -4.312 1.00 0.48 C ATOM 198 CD2 TYR A 342 -11.065 2.434 -5.639 1.00 0.44 C ATOM 199 CE1 TYR A 342 -12.905 0.701 -4.542 1.00 0.67 C ATOM 200 CE2 TYR A 342 -12.410 2.625 -5.873 1.00 0.62 C ATOM 201 CZ TYR A 342 -13.327 1.756 -5.323 1.00 0.71 C ATOM 202 OH TYR A 342 -14.670 1.942 -5.555 1.00 0.92 O ATOM 0 H TYR A 342 -6.755 0.650 -4.431 1.00 0.17 H new ATOM 0 HA TYR A 342 -9.126 -0.913 -4.186 1.00 0.17 H new ATOM 0 HB2 TYR A 342 -8.922 1.463 -3.572 1.00 0.20 H new ATOM 0 HB3 TYR A 342 -8.585 1.884 -5.239 1.00 0.20 H new ATOM 0 HD1 TYR A 342 -11.230 -0.309 -3.699 1.00 0.48 H new ATOM 0 HD2 TYR A 342 -10.349 3.116 -6.072 1.00 0.44 H new ATOM 0 HE1 TYR A 342 -13.626 0.021 -4.112 1.00 0.67 H new ATOM 0 HE2 TYR A 342 -12.743 3.451 -6.484 1.00 0.62 H new ATOM 0 HH TYR A 342 -14.798 2.730 -6.123 1.00 0.92 H new ATOM 212 N GLN A 343 -7.947 -0.376 -7.183 1.00 0.18 N ATOM 213 CA GLN A 343 -8.045 -0.795 -8.576 1.00 0.19 C ATOM 214 C GLN A 343 -7.853 -2.308 -8.703 1.00 0.18 C ATOM 215 O GLN A 343 -8.444 -2.945 -9.574 1.00 0.23 O ATOM 216 CB GLN A 343 -7.005 -0.058 -9.424 1.00 0.26 C ATOM 217 CG GLN A 343 -7.070 -0.384 -10.907 1.00 0.71 C ATOM 218 CD GLN A 343 -5.980 0.303 -11.703 1.00 1.41 C ATOM 219 OE1 GLN A 343 -5.517 1.385 -11.346 1.00 2.07 O ATOM 220 NE2 GLN A 343 -5.564 -0.321 -12.794 1.00 2.22 N ATOM 0 H GLN A 343 -7.106 0.158 -6.964 1.00 0.18 H new ATOM 0 HA GLN A 343 -9.041 -0.544 -8.940 1.00 0.19 H new ATOM 0 HB2 GLN A 343 -7.140 1.016 -9.293 1.00 0.26 H new ATOM 0 HB3 GLN A 343 -6.010 -0.302 -9.052 1.00 0.26 H new ATOM 0 HG2 GLN A 343 -6.988 -1.463 -11.042 1.00 0.71 H new ATOM 0 HG3 GLN A 343 -8.043 -0.086 -11.298 1.00 0.71 H new ATOM 0 HE21 GLN A 343 -5.974 -1.218 -13.056 1.00 2.22 H new ATOM 0 HE22 GLN A 343 -4.834 0.095 -13.372 1.00 2.22 H new ATOM 229 N LEU A 344 -7.040 -2.884 -7.815 1.00 0.16 N ATOM 230 CA LEU A 344 -6.794 -4.322 -7.822 1.00 0.15 C ATOM 231 C LEU A 344 -8.067 -5.044 -7.421 1.00 0.17 C ATOM 232 O LEU A 344 -8.352 -6.148 -7.879 1.00 0.24 O ATOM 233 CB LEU A 344 -5.677 -4.693 -6.845 1.00 0.15 C ATOM 234 CG LEU A 344 -4.320 -4.035 -7.096 1.00 0.12 C ATOM 235 CD1 LEU A 344 -3.339 -4.448 -6.014 1.00 0.13 C ATOM 236 CD2 LEU A 344 -3.778 -4.406 -8.468 1.00 0.19 C ATOM 0 H LEU A 344 -6.543 -2.375 -7.084 1.00 0.16 H new ATOM 0 HA LEU A 344 -6.487 -4.617 -8.825 1.00 0.15 H new ATOM 0 HB2 LEU A 344 -6.003 -4.435 -5.837 1.00 0.15 H new ATOM 0 HB3 LEU A 344 -5.544 -5.775 -6.870 1.00 0.15 H new ATOM 0 HG LEU A 344 -4.452 -2.953 -7.068 1.00 0.12 H new ATOM 0 HD11 LEU A 344 -2.374 -3.976 -6.198 1.00 0.13 H new ATOM 0 HD12 LEU A 344 -3.717 -4.134 -5.041 1.00 0.13 H new ATOM 0 HD13 LEU A 344 -3.221 -5.532 -6.024 1.00 0.13 H new ATOM 0 HD21 LEU A 344 -2.812 -3.924 -8.620 1.00 0.19 H new ATOM 0 HD22 LEU A 344 -3.658 -5.488 -8.532 1.00 0.19 H new ATOM 0 HD23 LEU A 344 -4.475 -4.072 -9.237 1.00 0.19 H new ATOM 248 N LEU A 345 -8.836 -4.382 -6.570 1.00 0.18 N ATOM 249 CA LEU A 345 -10.095 -4.909 -6.081 1.00 0.20 C ATOM 250 C LEU A 345 -11.159 -4.903 -7.178 1.00 0.25 C ATOM 251 O LEU A 345 -12.269 -5.401 -6.989 1.00 0.36 O ATOM 252 CB LEU A 345 -10.564 -4.072 -4.892 1.00 0.17 C ATOM 253 CG LEU A 345 -9.644 -4.118 -3.675 1.00 0.15 C ATOM 254 CD1 LEU A 345 -9.981 -3.010 -2.694 1.00 0.16 C ATOM 255 CD2 LEU A 345 -9.744 -5.470 -2.998 1.00 0.15 C ATOM 0 H LEU A 345 -8.601 -3.461 -6.200 1.00 0.18 H new ATOM 0 HA LEU A 345 -9.943 -5.942 -5.768 1.00 0.20 H new ATOM 0 HB2 LEU A 345 -10.667 -3.036 -5.213 1.00 0.17 H new ATOM 0 HB3 LEU A 345 -11.555 -4.413 -4.594 1.00 0.17 H new ATOM 0 HG LEU A 345 -8.620 -3.966 -4.015 1.00 0.15 H new ATOM 0 HD11 LEU A 345 -9.310 -3.067 -1.837 1.00 0.16 H new ATOM 0 HD12 LEU A 345 -9.864 -2.043 -3.183 1.00 0.16 H new ATOM 0 HD13 LEU A 345 -11.011 -3.124 -2.357 1.00 0.16 H new ATOM 0 HD21 LEU A 345 -9.084 -5.492 -2.131 1.00 0.15 H new ATOM 0 HD22 LEU A 345 -10.771 -5.641 -2.676 1.00 0.15 H new ATOM 0 HD23 LEU A 345 -9.449 -6.251 -3.699 1.00 0.15 H new ATOM 267 N SER A 346 -10.815 -4.330 -8.318 1.00 0.28 N ATOM 268 CA SER A 346 -11.733 -4.237 -9.435 1.00 0.35 C ATOM 269 C SER A 346 -11.250 -5.109 -10.596 1.00 0.36 C ATOM 270 O SER A 346 -11.810 -5.075 -11.695 1.00 0.54 O ATOM 271 CB SER A 346 -11.867 -2.770 -9.862 1.00 0.46 C ATOM 272 OG SER A 346 -12.827 -2.603 -10.892 1.00 1.06 O ATOM 0 H SER A 346 -9.898 -3.919 -8.493 1.00 0.28 H new ATOM 0 HA SER A 346 -12.714 -4.604 -9.132 1.00 0.35 H new ATOM 0 HB2 SER A 346 -12.151 -2.166 -9.000 1.00 0.46 H new ATOM 0 HB3 SER A 346 -10.900 -2.402 -10.205 1.00 0.46 H new ATOM 0 HG SER A 346 -12.764 -3.351 -11.522 1.00 1.06 H new ATOM 278 N ASP A 347 -10.221 -5.910 -10.350 1.00 0.32 N ATOM 279 CA ASP A 347 -9.647 -6.736 -11.402 1.00 0.34 C ATOM 280 C ASP A 347 -9.494 -8.179 -10.930 1.00 0.34 C ATOM 281 O ASP A 347 -9.010 -8.433 -9.829 1.00 0.43 O ATOM 282 CB ASP A 347 -8.291 -6.179 -11.828 1.00 0.41 C ATOM 283 CG ASP A 347 -7.859 -6.698 -13.180 1.00 0.80 C ATOM 284 OD1 ASP A 347 -7.660 -7.926 -13.313 1.00 0.99 O ATOM 285 OD2 ASP A 347 -7.695 -5.887 -14.106 1.00 1.18 O ATOM 0 H ASP A 347 -9.771 -6.004 -9.440 1.00 0.32 H new ATOM 0 HA ASP A 347 -10.322 -6.721 -12.258 1.00 0.34 H new ATOM 0 HB2 ASP A 347 -8.340 -5.091 -11.858 1.00 0.41 H new ATOM 0 HB3 ASP A 347 -7.541 -6.444 -11.083 1.00 0.41 H new ATOM 290 N SER A 348 -9.905 -9.120 -11.773 1.00 0.40 N ATOM 291 CA SER A 348 -9.934 -10.525 -11.405 1.00 0.43 C ATOM 292 C SER A 348 -8.544 -11.170 -11.378 1.00 0.35 C ATOM 293 O SER A 348 -8.379 -12.247 -10.802 1.00 0.40 O ATOM 294 CB SER A 348 -10.853 -11.286 -12.355 1.00 0.59 C ATOM 295 OG SER A 348 -10.584 -10.957 -13.707 1.00 0.79 O ATOM 0 H SER A 348 -10.224 -8.930 -12.723 1.00 0.40 H new ATOM 0 HA SER A 348 -10.319 -10.581 -10.387 1.00 0.43 H new ATOM 0 HB2 SER A 348 -10.725 -12.358 -12.207 1.00 0.59 H new ATOM 0 HB3 SER A 348 -11.892 -11.054 -12.122 1.00 0.59 H new ATOM 0 HG SER A 348 -11.187 -11.461 -14.293 1.00 0.79 H new ATOM 301 N ARG A 349 -7.546 -10.531 -11.994 1.00 0.34 N ATOM 302 CA ARG A 349 -6.192 -11.065 -11.976 1.00 0.37 C ATOM 303 C ARG A 349 -5.734 -11.272 -10.547 1.00 0.31 C ATOM 304 O ARG A 349 -5.263 -12.338 -10.160 1.00 0.42 O ATOM 305 CB ARG A 349 -5.218 -10.096 -12.614 1.00 0.45 C ATOM 306 CG ARG A 349 -5.541 -9.699 -14.030 1.00 0.71 C ATOM 307 CD ARG A 349 -4.365 -8.974 -14.627 1.00 1.07 C ATOM 308 NE ARG A 349 -4.598 -8.507 -15.990 1.00 1.86 N ATOM 309 CZ ARG A 349 -4.090 -7.371 -16.477 1.00 2.54 C ATOM 310 NH1 ARG A 349 -3.390 -6.556 -15.688 1.00 2.75 N ATOM 311 NH2 ARG A 349 -4.289 -7.051 -17.747 1.00 3.43 N ATOM 0 H ARG A 349 -7.653 -9.654 -12.504 1.00 0.34 H new ATOM 0 HA ARG A 349 -6.208 -12.005 -12.527 1.00 0.37 H new ATOM 0 HB2 ARG A 349 -5.174 -9.195 -12.002 1.00 0.45 H new ATOM 0 HB3 ARG A 349 -4.223 -10.542 -12.597 1.00 0.45 H new ATOM 0 HG2 ARG A 349 -5.776 -10.583 -14.623 1.00 0.71 H new ATOM 0 HG3 ARG A 349 -6.424 -9.060 -14.048 1.00 0.71 H new ATOM 0 HD2 ARG A 349 -4.117 -8.120 -13.997 1.00 1.07 H new ATOM 0 HD3 ARG A 349 -3.499 -9.636 -14.622 1.00 1.07 H new ATOM 0 HE ARG A 349 -5.179 -9.078 -16.603 1.00 1.86 H new ATOM 0 HH11 ARG A 349 -3.240 -6.799 -14.709 1.00 2.75 H new ATOM 0 HH12 ARG A 349 -3.004 -5.690 -16.064 1.00 2.75 H new ATOM 0 HH21 ARG A 349 -4.829 -7.671 -18.351 1.00 3.43 H new ATOM 0 HH22 ARG A 349 -3.902 -6.184 -18.121 1.00 3.43 H new ATOM 325 N TYR A 350 -5.905 -10.221 -9.774 1.00 0.26 N ATOM 326 CA TYR A 350 -5.317 -10.123 -8.453 1.00 0.30 C ATOM 327 C TYR A 350 -6.212 -10.687 -7.356 1.00 0.24 C ATOM 328 O TYR A 350 -6.020 -10.358 -6.199 1.00 0.25 O ATOM 329 CB TYR A 350 -5.014 -8.657 -8.151 1.00 0.40 C ATOM 330 CG TYR A 350 -4.481 -7.914 -9.350 1.00 0.47 C ATOM 331 CD1 TYR A 350 -3.190 -8.128 -9.802 1.00 0.54 C ATOM 332 CD2 TYR A 350 -5.283 -7.021 -10.048 1.00 0.52 C ATOM 333 CE1 TYR A 350 -2.707 -7.470 -10.912 1.00 0.61 C ATOM 334 CE2 TYR A 350 -4.810 -6.361 -11.167 1.00 0.60 C ATOM 335 CZ TYR A 350 -3.519 -6.588 -11.593 1.00 0.63 C ATOM 336 OH TYR A 350 -3.043 -5.938 -12.711 1.00 0.72 O ATOM 0 H TYR A 350 -6.457 -9.407 -10.044 1.00 0.26 H new ATOM 0 HA TYR A 350 -4.406 -10.722 -8.460 1.00 0.30 H new ATOM 0 HB2 TYR A 350 -5.922 -8.167 -7.800 1.00 0.40 H new ATOM 0 HB3 TYR A 350 -4.287 -8.600 -7.341 1.00 0.40 H new ATOM 0 HD1 TYR A 350 -2.551 -8.822 -9.276 1.00 0.54 H new ATOM 0 HD2 TYR A 350 -6.293 -6.839 -9.711 1.00 0.52 H new ATOM 0 HE1 TYR A 350 -1.695 -7.645 -11.248 1.00 0.61 H new ATOM 0 HE2 TYR A 350 -5.447 -5.673 -11.703 1.00 0.60 H new ATOM 0 HH TYR A 350 -3.742 -5.354 -13.072 1.00 0.72 H new ATOM 346 N GLU A 351 -7.164 -11.547 -7.695 1.00 0.22 N ATOM 347 CA GLU A 351 -8.064 -12.097 -6.678 1.00 0.23 C ATOM 348 C GLU A 351 -7.305 -13.006 -5.704 1.00 0.21 C ATOM 349 O GLU A 351 -7.741 -13.235 -4.575 1.00 0.25 O ATOM 350 CB GLU A 351 -9.228 -12.861 -7.315 1.00 0.31 C ATOM 351 CG GLU A 351 -8.823 -14.150 -8.006 1.00 0.36 C ATOM 352 CD GLU A 351 -10.024 -14.963 -8.446 1.00 0.97 C ATOM 353 OE1 GLU A 351 -10.523 -14.732 -9.566 1.00 1.22 O ATOM 354 OE2 GLU A 351 -10.467 -15.843 -7.679 1.00 1.45 O ATOM 0 H GLU A 351 -7.335 -11.876 -8.645 1.00 0.22 H new ATOM 0 HA GLU A 351 -8.474 -11.255 -6.120 1.00 0.23 H new ATOM 0 HB2 GLU A 351 -9.962 -13.091 -6.543 1.00 0.31 H new ATOM 0 HB3 GLU A 351 -9.720 -12.213 -8.040 1.00 0.31 H new ATOM 0 HG2 GLU A 351 -8.206 -13.917 -8.874 1.00 0.36 H new ATOM 0 HG3 GLU A 351 -8.210 -14.746 -7.330 1.00 0.36 H new ATOM 361 N ASN A 352 -6.168 -13.526 -6.156 1.00 0.22 N ATOM 362 CA ASN A 352 -5.306 -14.353 -5.327 1.00 0.24 C ATOM 363 C ASN A 352 -4.284 -13.472 -4.617 1.00 0.19 C ATOM 364 O ASN A 352 -3.447 -13.950 -3.856 1.00 0.21 O ATOM 365 CB ASN A 352 -4.599 -15.401 -6.181 1.00 0.32 C ATOM 366 CG ASN A 352 -4.302 -16.693 -5.438 1.00 0.62 C ATOM 367 OD1 ASN A 352 -4.346 -17.775 -6.025 1.00 1.06 O ATOM 368 ND2 ASN A 352 -3.975 -16.601 -4.164 1.00 1.06 N ATOM 0 H ASN A 352 -5.821 -13.385 -7.105 1.00 0.22 H new ATOM 0 HA ASN A 352 -5.912 -14.868 -4.582 1.00 0.24 H new ATOM 0 HB2 ASN A 352 -5.217 -15.626 -7.051 1.00 0.32 H new ATOM 0 HB3 ASN A 352 -3.664 -14.983 -6.554 1.00 0.32 H new ATOM 0 HD21 ASN A 352 -3.749 -17.442 -3.634 1.00 1.06 H new ATOM 0 HD22 ASN A 352 -3.948 -15.689 -3.709 1.00 1.06 H new ATOM 375 N PHE A 353 -4.348 -12.181 -4.896 1.00 0.16 N ATOM 376 CA PHE A 353 -3.472 -11.208 -4.264 1.00 0.14 C ATOM 377 C PHE A 353 -4.268 -10.371 -3.275 1.00 0.12 C ATOM 378 O PHE A 353 -3.807 -10.070 -2.177 1.00 0.11 O ATOM 379 CB PHE A 353 -2.843 -10.290 -5.314 1.00 0.16 C ATOM 380 CG PHE A 353 -1.914 -10.985 -6.271 1.00 0.19 C ATOM 381 CD1 PHE A 353 -2.409 -11.751 -7.317 1.00 0.30 C ATOM 382 CD2 PHE A 353 -0.544 -10.859 -6.132 1.00 0.21 C ATOM 383 CE1 PHE A 353 -1.554 -12.377 -8.201 1.00 0.34 C ATOM 384 CE2 PHE A 353 0.316 -11.482 -7.015 1.00 0.25 C ATOM 385 CZ PHE A 353 -0.189 -12.242 -8.051 1.00 0.29 C ATOM 0 H PHE A 353 -5.006 -11.779 -5.564 1.00 0.16 H new ATOM 0 HA PHE A 353 -2.678 -11.742 -3.742 1.00 0.14 H new ATOM 0 HB2 PHE A 353 -3.639 -9.810 -5.883 1.00 0.16 H new ATOM 0 HB3 PHE A 353 -2.294 -9.498 -4.804 1.00 0.16 H new ATOM 0 HD1 PHE A 353 -3.476 -11.859 -7.441 1.00 0.30 H new ATOM 0 HD2 PHE A 353 -0.142 -10.267 -5.324 1.00 0.21 H new ATOM 0 HE1 PHE A 353 -1.953 -12.972 -9.009 1.00 0.34 H new ATOM 0 HE2 PHE A 353 1.384 -11.375 -6.895 1.00 0.25 H new ATOM 0 HZ PHE A 353 0.483 -12.730 -8.742 1.00 0.29 H new ATOM 395 N ILE A 354 -5.468 -9.997 -3.688 1.00 0.11 N ATOM 396 CA ILE A 354 -6.362 -9.192 -2.885 1.00 0.11 C ATOM 397 C ILE A 354 -7.804 -9.401 -3.353 1.00 0.12 C ATOM 398 O ILE A 354 -8.051 -9.576 -4.544 1.00 0.16 O ATOM 399 CB ILE A 354 -5.976 -7.705 -2.980 1.00 0.11 C ATOM 400 CG1 ILE A 354 -6.743 -6.896 -1.948 1.00 0.12 C ATOM 401 CG2 ILE A 354 -6.223 -7.162 -4.386 1.00 0.13 C ATOM 402 CD1 ILE A 354 -6.212 -5.500 -1.782 1.00 0.12 C ATOM 0 H ILE A 354 -5.849 -10.248 -4.600 1.00 0.11 H new ATOM 0 HA ILE A 354 -6.279 -9.500 -1.843 1.00 0.11 H new ATOM 0 HB ILE A 354 -4.910 -7.614 -2.771 1.00 0.11 H new ATOM 0 HG12 ILE A 354 -7.792 -6.847 -2.240 1.00 0.12 H new ATOM 0 HG13 ILE A 354 -6.702 -7.411 -0.988 1.00 0.12 H new ATOM 0 HG21 ILE A 354 -5.942 -6.110 -4.424 1.00 0.13 H new ATOM 0 HG22 ILE A 354 -5.625 -7.724 -5.103 1.00 0.13 H new ATOM 0 HG23 ILE A 354 -7.279 -7.264 -4.635 1.00 0.13 H new ATOM 0 HD11 ILE A 354 -6.802 -4.973 -1.032 1.00 0.12 H new ATOM 0 HD12 ILE A 354 -5.171 -5.542 -1.462 1.00 0.12 H new ATOM 0 HD13 ILE A 354 -6.278 -4.970 -2.732 1.00 0.12 H new ATOM 414 N ARG A 355 -8.756 -9.419 -2.430 1.00 0.12 N ATOM 415 CA ARG A 355 -10.146 -9.633 -2.803 1.00 0.14 C ATOM 416 C ARG A 355 -11.106 -9.026 -1.790 1.00 0.14 C ATOM 417 O ARG A 355 -10.801 -8.926 -0.598 1.00 0.15 O ATOM 418 CB ARG A 355 -10.426 -11.131 -2.973 1.00 0.18 C ATOM 419 CG ARG A 355 -10.112 -11.972 -1.746 1.00 0.24 C ATOM 420 CD ARG A 355 -10.227 -13.456 -2.057 1.00 0.40 C ATOM 421 NE ARG A 355 -9.720 -14.301 -0.972 1.00 0.90 N ATOM 422 CZ ARG A 355 -10.037 -15.589 -0.830 1.00 1.53 C ATOM 423 NH1 ARG A 355 -10.923 -16.153 -1.643 1.00 1.59 N ATOM 424 NH2 ARG A 355 -9.483 -16.311 0.134 1.00 2.39 N ATOM 0 H ARG A 355 -8.594 -9.290 -1.431 1.00 0.12 H new ATOM 0 HA ARG A 355 -10.312 -9.128 -3.754 1.00 0.14 H new ATOM 0 HB2 ARG A 355 -11.477 -11.265 -3.231 1.00 0.18 H new ATOM 0 HB3 ARG A 355 -9.841 -11.504 -3.814 1.00 0.18 H new ATOM 0 HG2 ARG A 355 -9.105 -11.748 -1.395 1.00 0.24 H new ATOM 0 HG3 ARG A 355 -10.796 -11.712 -0.938 1.00 0.24 H new ATOM 0 HD2 ARG A 355 -11.271 -13.704 -2.247 1.00 0.40 H new ATOM 0 HD3 ARG A 355 -9.676 -13.675 -2.971 1.00 0.40 H new ATOM 0 HE ARG A 355 -9.090 -13.881 -0.288 1.00 0.90 H new ATOM 0 HH11 ARG A 355 -11.364 -15.601 -2.379 1.00 1.59 H new ATOM 0 HH12 ARG A 355 -11.163 -17.138 -1.531 1.00 1.59 H new ATOM 0 HH21 ARG A 355 -8.812 -15.882 0.771 1.00 2.39 H new ATOM 0 HH22 ARG A 355 -9.728 -17.295 0.239 1.00 2.39 H new ATOM 438 N TRP A 356 -12.251 -8.592 -2.296 1.00 0.15 N ATOM 439 CA TRP A 356 -13.323 -8.064 -1.466 1.00 0.16 C ATOM 440 C TRP A 356 -13.927 -9.141 -0.582 1.00 0.18 C ATOM 441 O TRP A 356 -14.276 -10.226 -1.052 1.00 0.25 O ATOM 442 CB TRP A 356 -14.434 -7.475 -2.335 1.00 0.18 C ATOM 443 CG TRP A 356 -14.099 -6.149 -2.932 1.00 0.18 C ATOM 444 CD1 TRP A 356 -13.911 -5.864 -4.250 1.00 0.21 C ATOM 445 CD2 TRP A 356 -13.919 -4.921 -2.226 1.00 0.16 C ATOM 446 NE1 TRP A 356 -13.627 -4.530 -4.403 1.00 0.22 N ATOM 447 CE2 TRP A 356 -13.629 -3.932 -3.173 1.00 0.19 C ATOM 448 CE3 TRP A 356 -13.979 -4.564 -0.883 1.00 0.15 C ATOM 449 CZ2 TRP A 356 -13.399 -2.611 -2.813 1.00 0.21 C ATOM 450 CZ3 TRP A 356 -13.749 -3.254 -0.530 1.00 0.17 C ATOM 451 CH2 TRP A 356 -13.463 -2.289 -1.491 1.00 0.20 C ATOM 0 H TRP A 356 -12.463 -8.596 -3.294 1.00 0.15 H new ATOM 0 HA TRP A 356 -12.885 -7.289 -0.837 1.00 0.16 H new ATOM 0 HB2 TRP A 356 -14.663 -8.176 -3.138 1.00 0.18 H new ATOM 0 HB3 TRP A 356 -15.337 -7.373 -1.733 1.00 0.18 H new ATOM 0 HD1 TRP A 356 -13.976 -6.581 -5.055 1.00 0.21 H new ATOM 0 HE1 TRP A 356 -13.444 -4.061 -5.290 1.00 0.22 H new ATOM 0 HE3 TRP A 356 -14.203 -5.304 -0.129 1.00 0.15 H new ATOM 0 HZ2 TRP A 356 -13.176 -1.862 -3.558 1.00 0.21 H new ATOM 0 HZ3 TRP A 356 -13.791 -2.970 0.511 1.00 0.17 H new ATOM 0 HH2 TRP A 356 -13.289 -1.268 -1.184 1.00 0.20 H new ATOM 462 N GLU A 357 -14.048 -8.835 0.696 1.00 0.18 N ATOM 463 CA GLU A 357 -14.793 -9.674 1.611 1.00 0.22 C ATOM 464 C GLU A 357 -16.206 -9.126 1.743 1.00 0.22 C ATOM 465 O GLU A 357 -17.191 -9.860 1.646 1.00 0.31 O ATOM 466 CB GLU A 357 -14.112 -9.708 2.971 1.00 0.25 C ATOM 467 CG GLU A 357 -12.741 -10.356 2.941 1.00 0.52 C ATOM 468 CD GLU A 357 -12.788 -11.821 2.559 1.00 0.45 C ATOM 469 OE1 GLU A 357 -13.276 -12.632 3.373 1.00 0.73 O ATOM 470 OE2 GLU A 357 -12.326 -12.171 1.454 1.00 0.79 O ATOM 0 H GLU A 357 -13.637 -8.006 1.125 1.00 0.18 H new ATOM 0 HA GLU A 357 -14.830 -10.692 1.224 1.00 0.22 H new ATOM 0 HB2 GLU A 357 -14.016 -8.689 3.347 1.00 0.25 H new ATOM 0 HB3 GLU A 357 -14.746 -10.249 3.673 1.00 0.25 H new ATOM 0 HG2 GLU A 357 -12.108 -9.822 2.233 1.00 0.52 H new ATOM 0 HG3 GLU A 357 -12.276 -10.257 3.922 1.00 0.52 H new ATOM 477 N ASP A 358 -16.282 -7.813 1.939 1.00 0.19 N ATOM 478 CA ASP A 358 -17.548 -7.100 2.043 1.00 0.22 C ATOM 479 C ASP A 358 -17.439 -5.784 1.284 1.00 0.20 C ATOM 480 O ASP A 358 -17.119 -4.754 1.871 1.00 0.22 O ATOM 481 CB ASP A 358 -17.895 -6.812 3.510 1.00 0.28 C ATOM 482 CG ASP A 358 -18.056 -8.067 4.344 1.00 1.02 C ATOM 483 OD1 ASP A 358 -17.041 -8.583 4.851 1.00 2.07 O ATOM 484 OD2 ASP A 358 -19.195 -8.551 4.484 1.00 1.30 O ATOM 0 H ASP A 358 -15.463 -7.212 2.030 1.00 0.19 H new ATOM 0 HA ASP A 358 -18.336 -7.720 1.617 1.00 0.22 H new ATOM 0 HB2 ASP A 358 -17.112 -6.192 3.947 1.00 0.28 H new ATOM 0 HB3 ASP A 358 -18.819 -6.235 3.551 1.00 0.28 H new ATOM 489 N LYS A 359 -17.696 -5.826 -0.018 1.00 0.23 N ATOM 490 CA LYS A 359 -17.478 -4.672 -0.889 1.00 0.26 C ATOM 491 C LYS A 359 -18.332 -3.468 -0.496 1.00 0.28 C ATOM 492 O LYS A 359 -17.860 -2.333 -0.542 1.00 0.33 O ATOM 493 CB LYS A 359 -17.727 -5.047 -2.350 1.00 0.35 C ATOM 494 CG LYS A 359 -17.539 -3.888 -3.317 1.00 0.41 C ATOM 495 CD LYS A 359 -17.449 -4.370 -4.755 1.00 0.60 C ATOM 496 CE LYS A 359 -17.432 -3.211 -5.737 1.00 0.96 C ATOM 497 NZ LYS A 359 -17.373 -3.684 -7.146 1.00 1.65 N ATOM 0 H LYS A 359 -18.058 -6.650 -0.498 1.00 0.23 H new ATOM 0 HA LYS A 359 -16.436 -4.377 -0.766 1.00 0.26 H new ATOM 0 HB2 LYS A 359 -17.051 -5.855 -2.629 1.00 0.35 H new ATOM 0 HB3 LYS A 359 -18.742 -5.431 -2.450 1.00 0.35 H new ATOM 0 HG2 LYS A 359 -18.371 -3.191 -3.217 1.00 0.41 H new ATOM 0 HG3 LYS A 359 -16.633 -3.341 -3.058 1.00 0.41 H new ATOM 0 HD2 LYS A 359 -16.547 -4.968 -4.882 1.00 0.60 H new ATOM 0 HD3 LYS A 359 -18.296 -5.020 -4.974 1.00 0.60 H new ATOM 0 HE2 LYS A 359 -18.324 -2.601 -5.595 1.00 0.96 H new ATOM 0 HE3 LYS A 359 -16.573 -2.572 -5.531 1.00 0.96 H new ATOM 0 HZ1 LYS A 359 -17.363 -2.865 -7.787 1.00 1.65 H new ATOM 0 HZ2 LYS A 359 -16.509 -4.245 -7.288 1.00 1.65 H new ATOM 0 HZ3 LYS A 359 -18.206 -4.273 -7.350 1.00 1.65 H new ATOM 511 N GLU A 360 -19.577 -3.707 -0.101 1.00 0.32 N ATOM 512 CA GLU A 360 -20.467 -2.615 0.273 1.00 0.36 C ATOM 513 C GLU A 360 -20.005 -1.986 1.585 1.00 0.34 C ATOM 514 O GLU A 360 -20.118 -0.775 1.787 1.00 0.42 O ATOM 515 CB GLU A 360 -21.913 -3.107 0.384 1.00 0.45 C ATOM 516 CG GLU A 360 -22.925 -1.990 0.598 1.00 0.94 C ATOM 517 CD GLU A 360 -24.355 -2.486 0.571 1.00 1.10 C ATOM 518 OE1 GLU A 360 -24.828 -2.904 -0.510 1.00 1.33 O ATOM 519 OE2 GLU A 360 -25.014 -2.464 1.634 1.00 1.40 O ATOM 0 H GLU A 360 -19.990 -4.637 -0.032 1.00 0.32 H new ATOM 0 HA GLU A 360 -20.431 -1.854 -0.507 1.00 0.36 H new ATOM 0 HB2 GLU A 360 -22.173 -3.652 -0.524 1.00 0.45 H new ATOM 0 HB3 GLU A 360 -21.985 -3.813 1.211 1.00 0.45 H new ATOM 0 HG2 GLU A 360 -22.730 -1.507 1.555 1.00 0.94 H new ATOM 0 HG3 GLU A 360 -22.793 -1.232 -0.174 1.00 0.94 H new ATOM 526 N SER A 361 -19.459 -2.816 2.463 1.00 0.28 N ATOM 527 CA SER A 361 -18.901 -2.355 3.722 1.00 0.27 C ATOM 528 C SER A 361 -17.509 -1.756 3.513 1.00 0.23 C ATOM 529 O SER A 361 -16.988 -1.061 4.383 1.00 0.25 O ATOM 530 CB SER A 361 -18.828 -3.528 4.699 1.00 0.29 C ATOM 531 OG SER A 361 -20.125 -3.989 5.040 1.00 1.10 O ATOM 0 H SER A 361 -19.392 -3.824 2.321 1.00 0.28 H new ATOM 0 HA SER A 361 -19.545 -1.576 4.131 1.00 0.27 H new ATOM 0 HB2 SER A 361 -18.255 -4.341 4.254 1.00 0.29 H new ATOM 0 HB3 SER A 361 -18.299 -3.222 5.601 1.00 0.29 H new ATOM 0 HG SER A 361 -20.051 -4.741 5.665 1.00 1.10 H new ATOM 537 N LYS A 362 -16.941 -2.020 2.332 1.00 0.20 N ATOM 538 CA LYS A 362 -15.588 -1.592 1.964 1.00 0.19 C ATOM 539 C LYS A 362 -14.532 -2.389 2.732 1.00 0.15 C ATOM 540 O LYS A 362 -13.401 -1.936 2.906 1.00 0.16 O ATOM 541 CB LYS A 362 -15.393 -0.084 2.179 1.00 0.24 C ATOM 542 CG LYS A 362 -16.444 0.768 1.482 1.00 0.33 C ATOM 543 CD LYS A 362 -16.337 0.672 -0.028 1.00 0.46 C ATOM 544 CE LYS A 362 -17.546 1.290 -0.718 1.00 1.22 C ATOM 545 NZ LYS A 362 -17.714 2.732 -0.387 1.00 1.83 N ATOM 0 H LYS A 362 -17.414 -2.544 1.596 1.00 0.20 H new ATOM 0 HA LYS A 362 -15.462 -1.793 0.900 1.00 0.19 H new ATOM 0 HB2 LYS A 362 -15.414 0.129 3.248 1.00 0.24 H new ATOM 0 HB3 LYS A 362 -14.406 0.202 1.817 1.00 0.24 H new ATOM 0 HG2 LYS A 362 -17.438 0.449 1.797 1.00 0.33 H new ATOM 0 HG3 LYS A 362 -16.331 1.808 1.789 1.00 0.33 H new ATOM 0 HD2 LYS A 362 -15.430 1.176 -0.362 1.00 0.46 H new ATOM 0 HD3 LYS A 362 -16.246 -0.374 -0.321 1.00 0.46 H new ATOM 0 HE2 LYS A 362 -17.442 1.178 -1.797 1.00 1.22 H new ATOM 0 HE3 LYS A 362 -18.445 0.746 -0.426 1.00 1.22 H new ATOM 0 HZ1 LYS A 362 -18.498 3.127 -0.945 1.00 1.83 H new ATOM 0 HZ2 LYS A 362 -17.925 2.833 0.626 1.00 1.83 H new ATOM 0 HZ3 LYS A 362 -16.837 3.244 -0.611 1.00 1.83 H new ATOM 559 N ILE A 363 -14.909 -3.588 3.164 1.00 0.14 N ATOM 560 CA ILE A 363 -13.988 -4.488 3.853 1.00 0.13 C ATOM 561 C ILE A 363 -13.291 -5.358 2.811 1.00 0.11 C ATOM 562 O ILE A 363 -13.944 -6.107 2.077 1.00 0.14 O ATOM 563 CB ILE A 363 -14.707 -5.405 4.889 1.00 0.15 C ATOM 564 CG1 ILE A 363 -15.160 -4.653 6.151 1.00 0.19 C ATOM 565 CG2 ILE A 363 -13.781 -6.534 5.311 1.00 0.17 C ATOM 566 CD1 ILE A 363 -15.819 -3.331 5.910 1.00 0.19 C ATOM 0 H ILE A 363 -15.851 -3.961 3.049 1.00 0.14 H new ATOM 0 HA ILE A 363 -13.273 -3.878 4.405 1.00 0.13 H new ATOM 0 HB ILE A 363 -15.597 -5.789 4.391 1.00 0.15 H new ATOM 0 HG12 ILE A 363 -15.852 -5.289 6.703 1.00 0.19 H new ATOM 0 HG13 ILE A 363 -14.292 -4.495 6.791 1.00 0.19 H new ATOM 0 HG21 ILE A 363 -14.290 -7.171 6.035 1.00 0.17 H new ATOM 0 HG22 ILE A 363 -13.507 -7.125 4.437 1.00 0.17 H new ATOM 0 HG23 ILE A 363 -12.882 -6.117 5.764 1.00 0.17 H new ATOM 0 HD11 ILE A 363 -16.099 -2.885 6.864 1.00 0.19 H new ATOM 0 HD12 ILE A 363 -15.127 -2.669 5.389 1.00 0.19 H new ATOM 0 HD13 ILE A 363 -16.711 -3.475 5.301 1.00 0.19 H new ATOM 578 N PHE A 364 -11.975 -5.262 2.743 1.00 0.09 N ATOM 579 CA PHE A 364 -11.222 -5.945 1.707 1.00 0.08 C ATOM 580 C PHE A 364 -10.053 -6.708 2.319 1.00 0.08 C ATOM 581 O PHE A 364 -9.436 -6.249 3.281 1.00 0.09 O ATOM 582 CB PHE A 364 -10.728 -4.936 0.663 1.00 0.09 C ATOM 583 CG PHE A 364 -9.525 -4.136 1.087 1.00 0.09 C ATOM 584 CD1 PHE A 364 -9.642 -3.092 1.990 1.00 0.09 C ATOM 585 CD2 PHE A 364 -8.276 -4.435 0.576 1.00 0.10 C ATOM 586 CE1 PHE A 364 -8.529 -2.363 2.371 1.00 0.10 C ATOM 587 CE2 PHE A 364 -7.162 -3.712 0.952 1.00 0.10 C ATOM 588 CZ PHE A 364 -7.287 -2.675 1.848 1.00 0.10 C ATOM 0 H PHE A 364 -11.406 -4.718 3.392 1.00 0.09 H new ATOM 0 HA PHE A 364 -11.874 -6.663 1.210 1.00 0.08 H new ATOM 0 HB2 PHE A 364 -10.487 -5.471 -0.255 1.00 0.09 H new ATOM 0 HB3 PHE A 364 -11.541 -4.249 0.428 1.00 0.09 H new ATOM 0 HD1 PHE A 364 -10.610 -2.845 2.400 1.00 0.09 H new ATOM 0 HD2 PHE A 364 -8.170 -5.247 -0.128 1.00 0.10 H new ATOM 0 HE1 PHE A 364 -8.630 -1.551 3.076 1.00 0.10 H new ATOM 0 HE2 PHE A 364 -6.193 -3.960 0.544 1.00 0.10 H new ATOM 0 HZ PHE A 364 -6.417 -2.106 2.142 1.00 0.10 H new ATOM 598 N ARG A 365 -9.754 -7.871 1.766 1.00 0.08 N ATOM 599 CA ARG A 365 -8.702 -8.715 2.300 1.00 0.09 C ATOM 600 C ARG A 365 -7.506 -8.743 1.380 1.00 0.09 C ATOM 601 O ARG A 365 -7.639 -9.011 0.185 1.00 0.10 O ATOM 602 CB ARG A 365 -9.197 -10.148 2.496 1.00 0.13 C ATOM 603 CG ARG A 365 -8.073 -11.150 2.725 1.00 0.20 C ATOM 604 CD ARG A 365 -8.531 -12.586 2.514 1.00 0.26 C ATOM 605 NE ARG A 365 -9.006 -13.227 3.742 1.00 0.58 N ATOM 606 CZ ARG A 365 -9.970 -14.155 3.771 1.00 0.73 C ATOM 607 NH1 ARG A 365 -10.717 -14.382 2.694 1.00 1.04 N ATOM 608 NH2 ARG A 365 -10.226 -14.815 4.891 1.00 1.14 N ATOM 0 H ARG A 365 -10.226 -8.252 0.946 1.00 0.08 H new ATOM 0 HA ARG A 365 -8.412 -8.292 3.262 1.00 0.09 H new ATOM 0 HB2 ARG A 365 -9.878 -10.176 3.347 1.00 0.13 H new ATOM 0 HB3 ARG A 365 -9.770 -10.450 1.619 1.00 0.13 H new ATOM 0 HG2 ARG A 365 -7.249 -10.930 2.047 1.00 0.20 H new ATOM 0 HG3 ARG A 365 -7.690 -11.038 3.739 1.00 0.20 H new ATOM 0 HD2 ARG A 365 -9.329 -12.600 1.772 1.00 0.26 H new ATOM 0 HD3 ARG A 365 -7.705 -13.167 2.105 1.00 0.26 H new ATOM 0 HE ARG A 365 -8.578 -12.951 4.626 1.00 0.58 H new ATOM 0 HH11 ARG A 365 -10.557 -13.848 1.840 1.00 1.04 H new ATOM 0 HH12 ARG A 365 -11.450 -15.091 2.722 1.00 1.04 H new ATOM 0 HH21 ARG A 365 -9.688 -14.616 5.734 1.00 1.14 H new ATOM 0 HH22 ARG A 365 -10.961 -15.522 4.910 1.00 1.14 H new ATOM 622 N ILE A 366 -6.342 -8.489 1.935 1.00 0.09 N ATOM 623 CA ILE A 366 -5.119 -8.720 1.213 1.00 0.09 C ATOM 624 C ILE A 366 -4.761 -10.192 1.320 1.00 0.09 C ATOM 625 O ILE A 366 -4.484 -10.717 2.407 1.00 0.12 O ATOM 626 CB ILE A 366 -3.986 -7.807 1.707 1.00 0.10 C ATOM 627 CG1 ILE A 366 -4.292 -6.375 1.247 1.00 0.11 C ATOM 628 CG2 ILE A 366 -2.634 -8.293 1.194 1.00 0.09 C ATOM 629 CD1 ILE A 366 -3.274 -5.339 1.660 1.00 0.12 C ATOM 0 H ILE A 366 -6.220 -8.124 2.880 1.00 0.09 H new ATOM 0 HA ILE A 366 -5.264 -8.468 0.162 1.00 0.09 H new ATOM 0 HB ILE A 366 -3.929 -7.830 2.795 1.00 0.10 H new ATOM 0 HG12 ILE A 366 -4.374 -6.369 0.160 1.00 0.11 H new ATOM 0 HG13 ILE A 366 -5.265 -6.083 1.642 1.00 0.11 H new ATOM 0 HG21 ILE A 366 -1.848 -7.631 1.557 1.00 0.09 H new ATOM 0 HG22 ILE A 366 -2.451 -9.305 1.554 1.00 0.09 H new ATOM 0 HG23 ILE A 366 -2.636 -8.291 0.104 1.00 0.09 H new ATOM 0 HD11 ILE A 366 -3.579 -4.361 1.288 1.00 0.12 H new ATOM 0 HD12 ILE A 366 -3.206 -5.309 2.747 1.00 0.12 H new ATOM 0 HD13 ILE A 366 -2.301 -5.599 1.243 1.00 0.12 H new ATOM 641 N VAL A 367 -4.835 -10.850 0.182 1.00 0.10 N ATOM 642 CA VAL A 367 -4.732 -12.292 0.089 1.00 0.12 C ATOM 643 C VAL A 367 -3.281 -12.742 0.134 1.00 0.13 C ATOM 644 O VAL A 367 -2.905 -13.580 0.956 1.00 0.19 O ATOM 645 CB VAL A 367 -5.401 -12.766 -1.212 1.00 0.15 C ATOM 646 CG1 VAL A 367 -5.230 -14.251 -1.428 1.00 0.17 C ATOM 647 CG2 VAL A 367 -6.870 -12.403 -1.206 1.00 0.20 C ATOM 0 H VAL A 367 -4.971 -10.391 -0.719 1.00 0.10 H new ATOM 0 HA VAL A 367 -5.242 -12.736 0.944 1.00 0.12 H new ATOM 0 HB VAL A 367 -4.907 -12.257 -2.039 1.00 0.15 H new ATOM 0 HG11 VAL A 367 -5.718 -14.542 -2.358 1.00 0.17 H new ATOM 0 HG12 VAL A 367 -4.168 -14.491 -1.485 1.00 0.17 H new ATOM 0 HG13 VAL A 367 -5.680 -14.794 -0.597 1.00 0.17 H new ATOM 0 HG21 VAL A 367 -7.333 -12.744 -2.132 1.00 0.20 H new ATOM 0 HG22 VAL A 367 -7.360 -12.882 -0.358 1.00 0.20 H new ATOM 0 HG23 VAL A 367 -6.977 -11.321 -1.123 1.00 0.20 H new ATOM 657 N ASP A 368 -2.461 -12.168 -0.728 1.00 0.12 N ATOM 658 CA ASP A 368 -1.043 -12.462 -0.716 1.00 0.13 C ATOM 659 C ASP A 368 -0.275 -11.168 -0.614 1.00 0.12 C ATOM 660 O ASP A 368 0.040 -10.531 -1.617 1.00 0.12 O ATOM 661 CB ASP A 368 -0.591 -13.249 -1.945 1.00 0.18 C ATOM 662 CG ASP A 368 0.815 -13.790 -1.762 1.00 0.25 C ATOM 663 OD1 ASP A 368 1.777 -13.018 -1.957 1.00 0.50 O ATOM 664 OD2 ASP A 368 0.969 -14.999 -1.481 1.00 0.52 O ATOM 0 H ASP A 368 -2.752 -11.499 -1.441 1.00 0.12 H new ATOM 0 HA ASP A 368 -0.841 -13.095 0.148 1.00 0.13 H new ATOM 0 HB2 ASP A 368 -1.280 -14.074 -2.126 1.00 0.18 H new ATOM 0 HB3 ASP A 368 -0.625 -12.606 -2.825 1.00 0.18 H new ATOM 669 N PRO A 369 -0.005 -10.754 0.620 1.00 0.11 N ATOM 670 CA PRO A 369 0.646 -9.491 0.919 1.00 0.11 C ATOM 671 C PRO A 369 1.976 -9.303 0.199 1.00 0.12 C ATOM 672 O PRO A 369 2.297 -8.200 -0.245 1.00 0.14 O ATOM 673 CB PRO A 369 0.839 -9.559 2.436 1.00 0.13 C ATOM 674 CG PRO A 369 -0.256 -10.426 2.886 1.00 0.13 C ATOM 675 CD PRO A 369 -0.356 -11.478 1.842 1.00 0.13 C ATOM 0 HA PRO A 369 0.054 -8.640 0.583 1.00 0.11 H new ATOM 0 HB2 PRO A 369 1.812 -9.974 2.698 1.00 0.13 H new ATOM 0 HB3 PRO A 369 0.781 -8.571 2.892 1.00 0.13 H new ATOM 0 HG2 PRO A 369 -0.043 -10.857 3.864 1.00 0.13 H new ATOM 0 HG3 PRO A 369 -1.189 -9.870 2.979 1.00 0.13 H new ATOM 0 HD2 PRO A 369 0.328 -12.305 2.033 1.00 0.13 H new ATOM 0 HD3 PRO A 369 -1.359 -11.901 1.788 1.00 0.13 H new ATOM 683 N ASN A 370 2.741 -10.378 0.078 1.00 0.15 N ATOM 684 CA ASN A 370 4.024 -10.320 -0.617 1.00 0.18 C ATOM 685 C ASN A 370 3.807 -9.894 -2.065 1.00 0.16 C ATOM 686 O ASN A 370 4.445 -8.964 -2.557 1.00 0.17 O ATOM 687 CB ASN A 370 4.713 -11.683 -0.586 1.00 0.25 C ATOM 688 CG ASN A 370 6.170 -11.604 -0.989 1.00 0.43 C ATOM 689 OD1 ASN A 370 6.852 -10.621 -0.702 1.00 1.13 O ATOM 690 ND2 ASN A 370 6.655 -12.634 -1.663 1.00 0.99 N ATOM 0 H ASN A 370 2.500 -11.297 0.449 1.00 0.15 H new ATOM 0 HA ASN A 370 4.659 -9.593 -0.112 1.00 0.18 H new ATOM 0 HB2 ASN A 370 4.639 -12.101 0.418 1.00 0.25 H new ATOM 0 HB3 ASN A 370 4.190 -12.366 -1.256 1.00 0.25 H new ATOM 0 HD21 ASN A 370 7.629 -12.633 -1.965 1.00 0.99 H new ATOM 0 HD22 ASN A 370 6.055 -13.430 -1.880 1.00 0.99 H new ATOM 697 N GLY A 371 2.877 -10.573 -2.728 1.00 0.16 N ATOM 698 CA GLY A 371 2.557 -10.263 -4.109 1.00 0.17 C ATOM 699 C GLY A 371 1.880 -8.915 -4.259 1.00 0.14 C ATOM 700 O GLY A 371 2.123 -8.201 -5.230 1.00 0.16 O ATOM 0 H GLY A 371 2.335 -11.339 -2.329 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.471 -10.275 -4.702 1.00 0.17 H new ATOM 0 HA3 GLY A 371 1.906 -11.040 -4.511 1.00 0.17 H new ATOM 704 N LEU A 372 1.029 -8.569 -3.297 1.00 0.13 N ATOM 705 CA LEU A 372 0.346 -7.276 -3.290 1.00 0.12 C ATOM 706 C LEU A 372 1.383 -6.152 -3.278 1.00 0.12 C ATOM 707 O LEU A 372 1.279 -5.179 -4.029 1.00 0.12 O ATOM 708 CB LEU A 372 -0.570 -7.183 -2.059 1.00 0.12 C ATOM 709 CG LEU A 372 -1.844 -6.344 -2.222 1.00 0.11 C ATOM 710 CD1 LEU A 372 -1.530 -4.875 -2.457 1.00 0.11 C ATOM 711 CD2 LEU A 372 -2.685 -6.893 -3.361 1.00 0.14 C ATOM 0 H LEU A 372 0.794 -9.170 -2.507 1.00 0.13 H new ATOM 0 HA LEU A 372 -0.266 -7.177 -4.186 1.00 0.12 H new ATOM 0 HB2 LEU A 372 -0.860 -8.193 -1.771 1.00 0.12 H new ATOM 0 HB3 LEU A 372 0.008 -6.770 -1.233 1.00 0.12 H new ATOM 0 HG LEU A 372 -2.407 -6.411 -1.291 1.00 0.11 H new ATOM 0 HD11 LEU A 372 -2.460 -4.317 -2.567 1.00 0.11 H new ATOM 0 HD12 LEU A 372 -0.970 -4.482 -1.608 1.00 0.11 H new ATOM 0 HD13 LEU A 372 -0.935 -4.771 -3.364 1.00 0.11 H new ATOM 0 HD21 LEU A 372 -3.587 -6.291 -3.470 1.00 0.14 H new ATOM 0 HD22 LEU A 372 -2.111 -6.857 -4.287 1.00 0.14 H new ATOM 0 HD23 LEU A 372 -2.961 -7.925 -3.145 1.00 0.14 H new ATOM 723 N ALA A 373 2.389 -6.319 -2.434 1.00 0.13 N ATOM 724 CA ALA A 373 3.509 -5.394 -2.361 1.00 0.16 C ATOM 725 C ALA A 373 4.232 -5.315 -3.705 1.00 0.18 C ATOM 726 O ALA A 373 4.506 -4.224 -4.204 1.00 0.22 O ATOM 727 CB ALA A 373 4.453 -5.844 -1.274 1.00 0.18 C ATOM 0 H ALA A 373 2.452 -7.100 -1.780 1.00 0.13 H new ATOM 0 HA ALA A 373 3.137 -4.397 -2.125 1.00 0.16 H new ATOM 0 HB1 ALA A 373 5.295 -5.154 -1.215 1.00 0.18 H new ATOM 0 HB2 ALA A 373 3.928 -5.859 -0.319 1.00 0.18 H new ATOM 0 HB3 ALA A 373 4.820 -6.845 -1.502 1.00 0.18 H new ATOM 733 N ARG A 374 4.539 -6.477 -4.289 1.00 0.19 N ATOM 734 CA ARG A 374 5.136 -6.535 -5.619 1.00 0.24 C ATOM 735 C ARG A 374 4.303 -5.761 -6.633 1.00 0.19 C ATOM 736 O ARG A 374 4.846 -5.016 -7.448 1.00 0.21 O ATOM 737 CB ARG A 374 5.299 -7.974 -6.092 1.00 0.33 C ATOM 738 CG ARG A 374 6.676 -8.544 -5.824 1.00 0.67 C ATOM 739 CD ARG A 374 6.785 -9.173 -4.448 1.00 0.92 C ATOM 740 NE ARG A 374 8.024 -9.936 -4.292 1.00 1.47 N ATOM 741 CZ ARG A 374 8.817 -9.860 -3.226 1.00 1.99 C ATOM 742 NH1 ARG A 374 8.590 -8.940 -2.298 1.00 2.45 N ATOM 743 NH2 ARG A 374 9.859 -10.674 -3.107 1.00 2.67 N ATOM 0 H ARG A 374 4.382 -7.388 -3.858 1.00 0.19 H new ATOM 0 HA ARG A 374 6.121 -6.075 -5.544 1.00 0.24 H new ATOM 0 HB2 ARG A 374 4.554 -8.597 -5.598 1.00 0.33 H new ATOM 0 HB3 ARG A 374 5.096 -8.022 -7.162 1.00 0.33 H new ATOM 0 HG2 ARG A 374 6.910 -9.292 -6.582 1.00 0.67 H new ATOM 0 HG3 ARG A 374 7.419 -7.752 -5.918 1.00 0.67 H new ATOM 0 HD2 ARG A 374 6.741 -8.393 -3.688 1.00 0.92 H new ATOM 0 HD3 ARG A 374 5.931 -9.829 -4.280 1.00 0.92 H new ATOM 0 HE ARG A 374 8.297 -10.565 -5.047 1.00 1.47 H new ATOM 0 HH11 ARG A 374 7.809 -8.292 -2.402 1.00 2.45 H new ATOM 0 HH12 ARG A 374 9.197 -8.880 -1.480 1.00 2.45 H new ATOM 0 HH21 ARG A 374 10.055 -11.362 -3.835 1.00 2.67 H new ATOM 0 HH22 ARG A 374 10.464 -10.612 -2.288 1.00 2.67 H new ATOM 757 N LEU A 375 2.989 -5.943 -6.571 1.00 0.17 N ATOM 758 CA LEU A 375 2.070 -5.244 -7.460 1.00 0.18 C ATOM 759 C LEU A 375 2.205 -3.737 -7.302 1.00 0.19 C ATOM 760 O LEU A 375 2.431 -3.019 -8.279 1.00 0.22 O ATOM 761 CB LEU A 375 0.626 -5.666 -7.173 1.00 0.18 C ATOM 762 CG LEU A 375 0.294 -7.120 -7.493 1.00 0.21 C ATOM 763 CD1 LEU A 375 -1.117 -7.455 -7.044 1.00 0.23 C ATOM 764 CD2 LEU A 375 0.444 -7.380 -8.983 1.00 0.26 C ATOM 0 H LEU A 375 2.534 -6.573 -5.910 1.00 0.17 H new ATOM 0 HA LEU A 375 2.324 -5.512 -8.486 1.00 0.18 H new ATOM 0 HB2 LEU A 375 0.416 -5.486 -6.119 1.00 0.18 H new ATOM 0 HB3 LEU A 375 -0.043 -5.024 -7.746 1.00 0.18 H new ATOM 0 HG LEU A 375 0.992 -7.759 -6.952 1.00 0.21 H new ATOM 0 HD11 LEU A 375 -1.336 -8.496 -7.280 1.00 0.23 H new ATOM 0 HD12 LEU A 375 -1.203 -7.301 -5.968 1.00 0.23 H new ATOM 0 HD13 LEU A 375 -1.826 -6.808 -7.561 1.00 0.23 H new ATOM 0 HD21 LEU A 375 0.204 -8.422 -9.197 1.00 0.26 H new ATOM 0 HD22 LEU A 375 -0.235 -6.730 -9.536 1.00 0.26 H new ATOM 0 HD23 LEU A 375 1.471 -7.175 -9.287 1.00 0.26 H new ATOM 776 N TRP A 376 2.073 -3.265 -6.070 1.00 0.18 N ATOM 777 CA TRP A 376 2.171 -1.841 -5.783 1.00 0.20 C ATOM 778 C TRP A 376 3.542 -1.309 -6.191 1.00 0.25 C ATOM 779 O TRP A 376 3.652 -0.227 -6.765 1.00 0.30 O ATOM 780 CB TRP A 376 1.897 -1.578 -4.301 1.00 0.20 C ATOM 781 CG TRP A 376 2.005 -0.136 -3.923 1.00 0.20 C ATOM 782 CD1 TRP A 376 1.191 0.881 -4.334 1.00 0.20 C ATOM 783 CD2 TRP A 376 2.979 0.453 -3.056 1.00 0.24 C ATOM 784 NE1 TRP A 376 1.610 2.069 -3.783 1.00 0.23 N ATOM 785 CE2 TRP A 376 2.703 1.830 -2.990 1.00 0.26 C ATOM 786 CE3 TRP A 376 4.060 -0.053 -2.327 1.00 0.29 C ATOM 787 CZ2 TRP A 376 3.467 2.707 -2.228 1.00 0.31 C ATOM 788 CZ3 TRP A 376 4.817 0.818 -1.569 1.00 0.34 C ATOM 789 CH2 TRP A 376 4.517 2.184 -1.522 1.00 0.35 C ATOM 0 H TRP A 376 1.897 -3.849 -5.252 1.00 0.18 H new ATOM 0 HA TRP A 376 1.417 -1.312 -6.366 1.00 0.20 H new ATOM 0 HB2 TRP A 376 0.897 -1.936 -4.055 1.00 0.20 H new ATOM 0 HB3 TRP A 376 2.600 -2.157 -3.701 1.00 0.20 H new ATOM 0 HD1 TRP A 376 0.344 0.769 -4.994 1.00 0.20 H new ATOM 0 HE1 TRP A 376 1.178 2.980 -3.939 1.00 0.23 H new ATOM 0 HE3 TRP A 376 4.298 -1.106 -2.356 1.00 0.29 H new ATOM 0 HZ2 TRP A 376 3.240 3.762 -2.194 1.00 0.31 H new ATOM 0 HZ3 TRP A 376 5.655 0.439 -1.003 1.00 0.34 H new ATOM 0 HH2 TRP A 376 5.126 2.839 -0.917 1.00 0.35 H new ATOM 800 N GLY A 377 4.578 -2.092 -5.906 1.00 0.27 N ATOM 801 CA GLY A 377 5.913 -1.763 -6.363 1.00 0.33 C ATOM 802 C GLY A 377 5.960 -1.595 -7.866 1.00 0.38 C ATOM 803 O GLY A 377 6.437 -0.581 -8.364 1.00 0.41 O ATOM 0 H GLY A 377 4.514 -2.953 -5.363 1.00 0.27 H new ATOM 0 HA2 GLY A 377 6.247 -0.843 -5.883 1.00 0.33 H new ATOM 0 HA3 GLY A 377 6.606 -2.549 -6.062 1.00 0.33 H new ATOM 807 N ASN A 378 5.422 -2.579 -8.581 1.00 0.41 N ATOM 808 CA ASN A 378 5.368 -2.556 -10.044 1.00 0.50 C ATOM 809 C ASN A 378 4.741 -1.257 -10.543 1.00 0.51 C ATOM 810 O ASN A 378 5.264 -0.605 -11.451 1.00 0.62 O ATOM 811 CB ASN A 378 4.549 -3.749 -10.549 1.00 0.54 C ATOM 812 CG ASN A 378 4.362 -3.757 -12.058 1.00 0.72 C ATOM 813 OD1 ASN A 378 5.223 -3.305 -12.811 1.00 0.89 O ATOM 814 ND2 ASN A 378 3.228 -4.268 -12.508 1.00 1.06 N ATOM 0 H ASN A 378 5.011 -3.415 -8.165 1.00 0.41 H new ATOM 0 HA ASN A 378 6.386 -2.620 -10.428 1.00 0.50 H new ATOM 0 HB2 ASN A 378 5.042 -4.673 -10.246 1.00 0.54 H new ATOM 0 HB3 ASN A 378 3.570 -3.738 -10.069 1.00 0.54 H new ATOM 0 HD21 ASN A 378 3.044 -4.297 -13.511 1.00 1.06 H new ATOM 0 HD22 ASN A 378 2.538 -4.634 -11.852 1.00 1.06 H new ATOM 821 N HIS A 379 3.627 -0.888 -9.927 1.00 0.44 N ATOM 822 CA HIS A 379 2.903 0.325 -10.279 1.00 0.49 C ATOM 823 C HIS A 379 3.751 1.573 -10.030 1.00 0.53 C ATOM 824 O HIS A 379 3.680 2.540 -10.788 1.00 0.67 O ATOM 825 CB HIS A 379 1.606 0.393 -9.472 1.00 0.51 C ATOM 826 CG HIS A 379 0.699 1.527 -9.842 1.00 0.61 C ATOM 827 ND1 HIS A 379 -0.072 1.490 -10.977 1.00 0.70 N ATOM 828 CD2 HIS A 379 0.439 2.672 -9.170 1.00 0.78 C ATOM 829 CE1 HIS A 379 -0.782 2.602 -10.967 1.00 0.84 C ATOM 830 NE2 HIS A 379 -0.508 3.352 -9.891 1.00 0.89 N ATOM 0 H HIS A 379 3.200 -1.421 -9.169 1.00 0.44 H new ATOM 0 HA HIS A 379 2.671 0.294 -11.343 1.00 0.49 H new ATOM 0 HB2 HIS A 379 1.065 -0.544 -9.600 1.00 0.51 H new ATOM 0 HB3 HIS A 379 1.856 0.475 -8.414 1.00 0.51 H new ATOM 0 HD2 HIS A 379 0.891 2.990 -8.242 1.00 0.78 H new ATOM 0 HE1 HIS A 379 -1.495 2.874 -11.731 1.00 0.84 H new ATOM 0 HE2 HIS A 379 -0.923 4.253 -9.655 1.00 0.89 H new ATOM 838 N LYS A 380 4.574 1.543 -8.985 1.00 0.47 N ATOM 839 CA LYS A 380 5.382 2.700 -8.624 1.00 0.55 C ATOM 840 C LYS A 380 6.764 2.621 -9.272 1.00 0.56 C ATOM 841 O LYS A 380 7.699 3.289 -8.830 1.00 0.70 O ATOM 842 CB LYS A 380 5.524 2.805 -7.101 1.00 0.62 C ATOM 843 CG LYS A 380 4.191 2.831 -6.366 1.00 0.79 C ATOM 844 CD LYS A 380 3.281 3.949 -6.858 1.00 0.75 C ATOM 845 CE LYS A 380 3.782 5.320 -6.433 1.00 0.84 C ATOM 846 NZ LYS A 380 2.766 6.381 -6.676 1.00 1.36 N ATOM 0 H LYS A 380 4.697 0.733 -8.377 1.00 0.47 H new ATOM 0 HA LYS A 380 4.875 3.592 -8.993 1.00 0.55 H new ATOM 0 HB2 LYS A 380 6.112 1.961 -6.740 1.00 0.62 H new ATOM 0 HB3 LYS A 380 6.081 3.710 -6.858 1.00 0.62 H new ATOM 0 HG2 LYS A 380 3.688 1.873 -6.496 1.00 0.79 H new ATOM 0 HG3 LYS A 380 4.370 2.955 -5.298 1.00 0.79 H new ATOM 0 HD2 LYS A 380 3.213 3.909 -7.945 1.00 0.75 H new ATOM 0 HD3 LYS A 380 2.274 3.794 -6.470 1.00 0.75 H new ATOM 0 HE2 LYS A 380 4.040 5.300 -5.374 1.00 0.84 H new ATOM 0 HE3 LYS A 380 4.694 5.559 -6.979 1.00 0.84 H new ATOM 0 HZ1 LYS A 380 2.801 7.078 -5.905 1.00 1.36 H new ATOM 0 HZ2 LYS A 380 2.967 6.854 -7.580 1.00 1.36 H new ATOM 0 HZ3 LYS A 380 1.819 5.953 -6.713 1.00 1.36 H new ATOM 860 N ASN A 381 6.880 1.779 -10.307 1.00 0.52 N ATOM 861 CA ASN A 381 8.124 1.629 -11.078 1.00 0.60 C ATOM 862 C ASN A 381 9.187 0.875 -10.263 1.00 0.59 C ATOM 863 O ASN A 381 10.334 0.710 -10.679 1.00 0.76 O ATOM 864 CB ASN A 381 8.603 3.023 -11.559 1.00 0.76 C ATOM 865 CG ASN A 381 10.050 3.350 -11.246 1.00 1.50 C ATOM 866 OD1 ASN A 381 10.942 3.140 -12.069 1.00 2.30 O ATOM 867 ND2 ASN A 381 10.290 3.872 -10.058 1.00 2.17 N ATOM 0 H ASN A 381 6.118 1.184 -10.634 1.00 0.52 H new ATOM 0 HA ASN A 381 7.940 1.021 -11.964 1.00 0.60 H new ATOM 0 HB2 ASN A 381 8.457 3.088 -12.637 1.00 0.76 H new ATOM 0 HB3 ASN A 381 7.968 3.784 -11.105 1.00 0.76 H new ATOM 0 HD21 ASN A 381 11.244 4.118 -9.792 1.00 2.17 H new ATOM 0 HD22 ASN A 381 9.522 4.030 -9.406 1.00 2.17 H new ATOM 874 N ARG A 382 8.758 0.334 -9.140 1.00 0.49 N ATOM 875 CA ARG A 382 9.658 -0.294 -8.190 1.00 0.55 C ATOM 876 C ARG A 382 9.737 -1.801 -8.380 1.00 0.67 C ATOM 877 O ARG A 382 8.887 -2.416 -9.027 1.00 0.79 O ATOM 878 CB ARG A 382 9.221 0.034 -6.761 1.00 0.51 C ATOM 879 CG ARG A 382 9.560 1.447 -6.353 1.00 0.70 C ATOM 880 CD ARG A 382 11.056 1.687 -6.477 1.00 1.09 C ATOM 881 NE ARG A 382 11.445 3.034 -6.078 1.00 1.88 N ATOM 882 CZ ARG A 382 12.710 3.429 -5.927 1.00 2.39 C ATOM 883 NH1 ARG A 382 13.708 2.608 -6.234 1.00 2.40 N ATOM 884 NH2 ARG A 382 12.975 4.652 -5.490 1.00 3.26 N ATOM 0 H ARG A 382 7.777 0.317 -8.860 1.00 0.49 H new ATOM 0 HA ARG A 382 10.655 0.107 -8.371 1.00 0.55 H new ATOM 0 HB2 ARG A 382 8.145 -0.116 -6.672 1.00 0.51 H new ATOM 0 HB3 ARG A 382 9.698 -0.662 -6.072 1.00 0.51 H new ATOM 0 HG2 ARG A 382 9.018 2.154 -6.981 1.00 0.70 H new ATOM 0 HG3 ARG A 382 9.240 1.623 -5.326 1.00 0.70 H new ATOM 0 HD2 ARG A 382 11.588 0.962 -5.861 1.00 1.09 H new ATOM 0 HD3 ARG A 382 11.363 1.515 -7.509 1.00 1.09 H new ATOM 0 HE ARG A 382 10.706 3.715 -5.904 1.00 1.88 H new ATOM 0 HH11 ARG A 382 13.508 1.672 -6.587 1.00 2.40 H new ATOM 0 HH12 ARG A 382 14.674 2.914 -6.117 1.00 2.40 H new ATOM 0 HH21 ARG A 382 12.211 5.291 -5.269 1.00 3.26 H new ATOM 0 HH22 ARG A 382 13.942 4.954 -5.375 1.00 3.26 H new ATOM 943 N THR A 386 8.374 -5.872 -0.875 1.00 0.33 N ATOM 944 CA THR A 386 7.809 -6.824 0.059 1.00 0.28 C ATOM 945 C THR A 386 6.737 -6.133 0.907 1.00 0.21 C ATOM 946 O THR A 386 6.782 -4.919 1.042 1.00 0.24 O ATOM 947 CB THR A 386 8.935 -7.406 0.938 1.00 0.33 C ATOM 948 OG1 THR A 386 9.728 -8.329 0.176 1.00 0.54 O ATOM 949 CG2 THR A 386 8.390 -8.074 2.177 1.00 0.26 C ATOM 0 HA THR A 386 7.337 -7.646 -0.479 1.00 0.28 H new ATOM 0 HB THR A 386 9.565 -6.578 1.265 1.00 0.33 H new ATOM 0 HG1 THR A 386 9.411 -9.242 0.336 1.00 0.54 H new ATOM 0 HG21 THR A 386 9.215 -8.471 2.769 1.00 0.26 H new ATOM 0 HG22 THR A 386 7.836 -7.346 2.769 1.00 0.26 H new ATOM 0 HG23 THR A 386 7.725 -8.889 1.889 1.00 0.26 H new ATOM 957 N TYR A 387 5.751 -6.862 1.441 1.00 0.19 N ATOM 958 CA TYR A 387 4.647 -6.203 2.143 1.00 0.17 C ATOM 959 C TYR A 387 5.155 -5.379 3.318 1.00 0.16 C ATOM 960 O TYR A 387 4.678 -4.276 3.547 1.00 0.18 O ATOM 961 CB TYR A 387 3.594 -7.186 2.628 1.00 0.19 C ATOM 962 CG TYR A 387 2.311 -6.488 3.004 1.00 0.20 C ATOM 963 CD1 TYR A 387 2.176 -5.849 4.227 1.00 0.21 C ATOM 964 CD2 TYR A 387 1.236 -6.463 2.131 1.00 0.22 C ATOM 965 CE1 TYR A 387 1.008 -5.207 4.568 1.00 0.24 C ATOM 966 CE2 TYR A 387 0.063 -5.832 2.468 1.00 0.25 C ATOM 967 CZ TYR A 387 -0.045 -5.202 3.687 1.00 0.26 C ATOM 968 OH TYR A 387 -1.214 -4.579 4.032 1.00 0.30 O ATOM 0 H TYR A 387 5.694 -7.880 1.403 1.00 0.19 H new ATOM 0 HA TYR A 387 4.177 -5.542 1.415 1.00 0.17 H new ATOM 0 HB2 TYR A 387 3.394 -7.920 1.847 1.00 0.19 H new ATOM 0 HB3 TYR A 387 3.976 -7.734 3.489 1.00 0.19 H new ATOM 0 HD1 TYR A 387 3.001 -5.855 4.923 1.00 0.21 H new ATOM 0 HD2 TYR A 387 1.321 -6.947 1.170 1.00 0.22 H new ATOM 0 HE1 TYR A 387 0.920 -4.710 5.523 1.00 0.24 H new ATOM 0 HE2 TYR A 387 -0.770 -5.830 1.780 1.00 0.25 H new ATOM 0 HH TYR A 387 -1.301 -4.564 5.008 1.00 0.30 H new ATOM 978 N GLU A 388 6.128 -5.913 4.052 1.00 0.20 N ATOM 979 CA GLU A 388 6.774 -5.173 5.123 1.00 0.26 C ATOM 980 C GLU A 388 7.266 -3.824 4.611 1.00 0.25 C ATOM 981 O GLU A 388 7.275 -2.826 5.329 1.00 0.31 O ATOM 982 CB GLU A 388 7.950 -5.971 5.650 1.00 0.38 C ATOM 983 CG GLU A 388 7.590 -7.345 6.174 1.00 1.00 C ATOM 984 CD GLU A 388 8.808 -8.102 6.657 1.00 1.78 C ATOM 985 OE1 GLU A 388 9.637 -8.506 5.817 1.00 2.37 O ATOM 986 OE2 GLU A 388 8.932 -8.312 7.879 1.00 2.34 O ATOM 0 H GLU A 388 6.485 -6.860 3.921 1.00 0.20 H new ATOM 0 HA GLU A 388 6.052 -5.007 5.923 1.00 0.26 H new ATOM 0 HB2 GLU A 388 8.685 -6.081 4.853 1.00 0.38 H new ATOM 0 HB3 GLU A 388 8.429 -5.405 6.449 1.00 0.38 H new ATOM 0 HG2 GLU A 388 6.876 -7.246 6.992 1.00 1.00 H new ATOM 0 HG3 GLU A 388 7.096 -7.916 5.387 1.00 1.00 H new ATOM 993 N LYS A 389 7.671 -3.827 3.354 1.00 0.24 N ATOM 994 CA LYS A 389 8.180 -2.647 2.684 1.00 0.28 C ATOM 995 C LYS A 389 7.026 -1.771 2.171 1.00 0.26 C ATOM 996 O LYS A 389 7.140 -0.550 2.120 1.00 0.32 O ATOM 997 CB LYS A 389 9.115 -3.093 1.550 1.00 0.34 C ATOM 998 CG LYS A 389 10.182 -4.059 2.047 1.00 0.46 C ATOM 999 CD LYS A 389 11.083 -4.554 0.931 1.00 0.52 C ATOM 1000 CE LYS A 389 12.121 -5.540 1.454 1.00 0.72 C ATOM 1001 NZ LYS A 389 12.955 -4.959 2.543 1.00 1.62 N ATOM 0 H LYS A 389 7.655 -4.659 2.764 1.00 0.24 H new ATOM 0 HA LYS A 389 8.746 -2.033 3.384 1.00 0.28 H new ATOM 0 HB2 LYS A 389 8.531 -3.570 0.763 1.00 0.34 H new ATOM 0 HB3 LYS A 389 9.593 -2.219 1.107 1.00 0.34 H new ATOM 0 HG2 LYS A 389 10.788 -3.566 2.807 1.00 0.46 H new ATOM 0 HG3 LYS A 389 9.701 -4.912 2.526 1.00 0.46 H new ATOM 0 HD2 LYS A 389 10.480 -5.032 0.159 1.00 0.52 H new ATOM 0 HD3 LYS A 389 11.586 -3.707 0.464 1.00 0.52 H new ATOM 0 HE2 LYS A 389 11.617 -6.433 1.823 1.00 0.72 H new ATOM 0 HE3 LYS A 389 12.766 -5.854 0.634 1.00 0.72 H new ATOM 0 HZ1 LYS A 389 13.778 -5.572 2.715 1.00 1.62 H new ATOM 0 HZ2 LYS A 389 13.281 -4.012 2.263 1.00 1.62 H new ATOM 0 HZ3 LYS A 389 12.389 -4.887 3.413 1.00 1.62 H new ATOM 1015 N MET A 390 5.910 -2.407 1.815 1.00 0.19 N ATOM 1016 CA MET A 390 4.737 -1.702 1.304 1.00 0.20 C ATOM 1017 C MET A 390 3.913 -1.085 2.442 1.00 0.20 C ATOM 1018 O MET A 390 3.332 -0.008 2.292 1.00 0.22 O ATOM 1019 CB MET A 390 3.869 -2.663 0.491 1.00 0.18 C ATOM 1020 CG MET A 390 2.412 -2.667 0.912 1.00 0.23 C ATOM 1021 SD MET A 390 1.374 -3.651 -0.181 1.00 0.68 S ATOM 1022 CE MET A 390 -0.256 -3.147 0.359 1.00 1.18 C ATOM 0 H MET A 390 5.795 -3.419 1.872 1.00 0.19 H new ATOM 0 HA MET A 390 5.082 -0.891 0.663 1.00 0.20 H new ATOM 0 HB2 MET A 390 3.933 -2.394 -0.563 1.00 0.18 H new ATOM 0 HB3 MET A 390 4.270 -3.672 0.588 1.00 0.18 H new ATOM 0 HG2 MET A 390 2.333 -3.055 1.928 1.00 0.23 H new ATOM 0 HG3 MET A 390 2.041 -1.642 0.932 1.00 0.23 H new ATOM 0 HE1 MET A 390 -0.842 -4.029 0.619 1.00 1.18 H new ATOM 0 HE2 MET A 390 -0.166 -2.500 1.232 1.00 1.18 H new ATOM 0 HE3 MET A 390 -0.754 -2.605 -0.445 1.00 1.18 H new ATOM 1032 N SER A 391 3.872 -1.779 3.575 1.00 0.20 N ATOM 1033 CA SER A 391 3.033 -1.391 4.706 1.00 0.21 C ATOM 1034 C SER A 391 3.417 -0.020 5.240 1.00 0.18 C ATOM 1035 O SER A 391 2.620 0.641 5.901 1.00 0.18 O ATOM 1036 CB SER A 391 3.136 -2.429 5.818 1.00 0.26 C ATOM 1037 OG SER A 391 4.485 -2.634 6.202 1.00 0.64 O ATOM 0 H SER A 391 4.418 -2.625 3.736 1.00 0.20 H new ATOM 0 HA SER A 391 2.003 -1.339 4.353 1.00 0.21 H new ATOM 0 HB2 SER A 391 2.555 -2.102 6.680 1.00 0.26 H new ATOM 0 HB3 SER A 391 2.703 -3.371 5.481 1.00 0.26 H new ATOM 0 HG SER A 391 4.524 -3.303 6.917 1.00 0.64 H new ATOM 1043 N ARG A 392 4.640 0.393 4.953 1.00 0.19 N ATOM 1044 CA ARG A 392 5.134 1.685 5.353 1.00 0.20 C ATOM 1045 C ARG A 392 4.262 2.808 4.796 1.00 0.19 C ATOM 1046 O ARG A 392 4.062 3.832 5.446 1.00 0.23 O ATOM 1047 CB ARG A 392 6.554 1.829 4.875 1.00 0.24 C ATOM 1048 CG ARG A 392 7.586 1.668 5.961 1.00 0.52 C ATOM 1049 CD ARG A 392 8.037 0.231 6.105 1.00 0.67 C ATOM 1050 NE ARG A 392 9.203 0.121 6.980 1.00 1.31 N ATOM 1051 CZ ARG A 392 9.615 -1.010 7.548 1.00 1.66 C ATOM 1052 NH1 ARG A 392 8.948 -2.139 7.350 1.00 1.88 N ATOM 1053 NH2 ARG A 392 10.703 -1.005 8.309 1.00 2.48 N ATOM 0 H ARG A 392 5.316 -0.167 4.433 1.00 0.19 H new ATOM 0 HA ARG A 392 5.101 1.760 6.440 1.00 0.20 H new ATOM 0 HB2 ARG A 392 6.741 1.089 4.097 1.00 0.24 H new ATOM 0 HB3 ARG A 392 6.674 2.810 4.416 1.00 0.24 H new ATOM 0 HG2 ARG A 392 8.447 2.298 5.739 1.00 0.52 H new ATOM 0 HG3 ARG A 392 7.173 2.015 6.908 1.00 0.52 H new ATOM 0 HD2 ARG A 392 7.221 -0.369 6.507 1.00 0.67 H new ATOM 0 HD3 ARG A 392 8.278 -0.176 5.123 1.00 0.67 H new ATOM 0 HE ARG A 392 9.737 0.969 7.168 1.00 1.31 H new ATOM 0 HH11 ARG A 392 8.116 -2.143 6.760 1.00 1.88 H new ATOM 0 HH12 ARG A 392 9.267 -3.003 7.787 1.00 1.88 H new ATOM 0 HH21 ARG A 392 11.219 -0.137 8.456 1.00 2.48 H new ATOM 0 HH22 ARG A 392 11.023 -1.869 8.747 1.00 2.48 H new ATOM 1067 N ALA A 393 3.738 2.601 3.589 1.00 0.16 N ATOM 1068 CA ALA A 393 2.821 3.560 2.984 1.00 0.16 C ATOM 1069 C ALA A 393 1.461 3.497 3.679 1.00 0.16 C ATOM 1070 O ALA A 393 0.844 4.523 3.962 1.00 0.19 O ATOM 1071 CB ALA A 393 2.676 3.295 1.489 1.00 0.19 C ATOM 0 H ALA A 393 3.933 1.781 3.014 1.00 0.16 H new ATOM 0 HA ALA A 393 3.230 4.562 3.111 1.00 0.16 H new ATOM 0 HB1 ALA A 393 1.988 4.021 1.056 1.00 0.19 H new ATOM 0 HB2 ALA A 393 3.650 3.386 1.007 1.00 0.19 H new ATOM 0 HB3 ALA A 393 2.287 2.289 1.334 1.00 0.19 H new ATOM 1077 N LEU A 394 1.017 2.275 3.972 1.00 0.15 N ATOM 1078 CA LEU A 394 -0.257 2.041 4.654 1.00 0.18 C ATOM 1079 C LEU A 394 -0.253 2.622 6.064 1.00 0.18 C ATOM 1080 O LEU A 394 -1.303 2.990 6.589 1.00 0.20 O ATOM 1081 CB LEU A 394 -0.559 0.543 4.720 1.00 0.22 C ATOM 1082 CG LEU A 394 -0.900 -0.107 3.383 1.00 0.25 C ATOM 1083 CD1 LEU A 394 -0.855 -1.614 3.512 1.00 0.35 C ATOM 1084 CD2 LEU A 394 -2.274 0.338 2.906 1.00 0.24 C ATOM 0 H LEU A 394 1.528 1.422 3.745 1.00 0.15 H new ATOM 0 HA LEU A 394 -1.033 2.545 4.078 1.00 0.18 H new ATOM 0 HB2 LEU A 394 0.305 0.032 5.145 1.00 0.22 H new ATOM 0 HB3 LEU A 394 -1.391 0.386 5.406 1.00 0.22 H new ATOM 0 HG LEU A 394 -0.161 0.208 2.646 1.00 0.25 H new ATOM 0 HD11 LEU A 394 -1.100 -2.069 2.552 1.00 0.35 H new ATOM 0 HD12 LEU A 394 0.145 -1.923 3.816 1.00 0.35 H new ATOM 0 HD13 LEU A 394 -1.578 -1.937 4.261 1.00 0.35 H new ATOM 0 HD21 LEU A 394 -2.499 -0.136 1.951 1.00 0.24 H new ATOM 0 HD22 LEU A 394 -3.025 0.049 3.641 1.00 0.24 H new ATOM 0 HD23 LEU A 394 -2.284 1.421 2.784 1.00 0.24 H new ATOM 1096 N ARG A 395 0.931 2.679 6.671 1.00 0.20 N ATOM 1097 CA ARG A 395 1.106 3.230 8.008 1.00 0.26 C ATOM 1098 C ARG A 395 0.407 4.580 8.148 1.00 0.21 C ATOM 1099 O ARG A 395 -0.284 4.831 9.136 1.00 0.22 O ATOM 1100 CB ARG A 395 2.597 3.385 8.321 1.00 0.36 C ATOM 1101 CG ARG A 395 2.869 3.763 9.761 1.00 0.94 C ATOM 1102 CD ARG A 395 2.519 2.615 10.677 1.00 0.94 C ATOM 1103 NE ARG A 395 3.607 1.644 10.781 1.00 1.59 N ATOM 1104 CZ ARG A 395 3.605 0.615 11.626 1.00 1.91 C ATOM 1105 NH1 ARG A 395 2.572 0.421 12.443 1.00 1.87 N ATOM 1106 NH2 ARG A 395 4.642 -0.211 11.664 1.00 2.78 N ATOM 0 H ARG A 395 1.796 2.343 6.247 1.00 0.20 H new ATOM 0 HA ARG A 395 0.654 2.537 8.718 1.00 0.26 H new ATOM 0 HB2 ARG A 395 3.108 2.449 8.095 1.00 0.36 H new ATOM 0 HB3 ARG A 395 3.022 4.146 7.666 1.00 0.36 H new ATOM 0 HG2 ARG A 395 3.919 4.028 9.883 1.00 0.94 H new ATOM 0 HG3 ARG A 395 2.285 4.643 10.030 1.00 0.94 H new ATOM 0 HD2 ARG A 395 2.283 3.002 11.668 1.00 0.94 H new ATOM 0 HD3 ARG A 395 1.623 2.117 10.307 1.00 0.94 H new ATOM 0 HE ARG A 395 4.415 1.762 10.170 1.00 1.59 H new ATOM 0 HH11 ARG A 395 1.779 1.062 12.423 1.00 1.87 H new ATOM 0 HH12 ARG A 395 2.574 -0.368 13.089 1.00 1.87 H new ATOM 0 HH21 ARG A 395 5.439 -0.057 11.047 1.00 2.78 H new ATOM 0 HH22 ARG A 395 4.642 -1.000 12.311 1.00 2.78 H new ATOM 1120 N HIS A 396 0.566 5.432 7.144 1.00 0.20 N ATOM 1121 CA HIS A 396 -0.029 6.757 7.169 1.00 0.19 C ATOM 1122 C HIS A 396 -1.544 6.667 7.078 1.00 0.16 C ATOM 1123 O HIS A 396 -2.261 7.400 7.757 1.00 0.22 O ATOM 1124 CB HIS A 396 0.535 7.611 6.035 1.00 0.24 C ATOM 1125 CG HIS A 396 2.001 7.874 6.189 1.00 0.58 C ATOM 1126 ND1 HIS A 396 2.464 8.921 6.945 1.00 1.29 N ATOM 1127 CD2 HIS A 396 3.057 7.172 5.711 1.00 0.53 C ATOM 1128 CE1 HIS A 396 3.780 8.832 6.919 1.00 1.63 C ATOM 1129 NE2 HIS A 396 4.189 7.786 6.187 1.00 1.17 N ATOM 0 H HIS A 396 1.103 5.227 6.302 1.00 0.20 H new ATOM 0 HA HIS A 396 0.223 7.234 8.116 1.00 0.19 H new ATOM 0 HB2 HIS A 396 0.357 7.109 5.084 1.00 0.24 H new ATOM 0 HB3 HIS A 396 0.001 8.560 5.999 1.00 0.24 H new ATOM 0 HD1 HIS A 396 1.905 9.624 7.428 1.00 1.29 H new ATOM 0 HD2 HIS A 396 3.016 6.298 5.078 1.00 0.53 H new ATOM 0 HE1 HIS A 396 4.445 9.517 7.424 1.00 1.63 H new ATOM 1137 N TYR A 397 -2.022 5.715 6.286 1.00 0.15 N ATOM 1138 CA TYR A 397 -3.448 5.583 5.996 1.00 0.15 C ATOM 1139 C TYR A 397 -4.236 5.237 7.255 1.00 0.18 C ATOM 1140 O TYR A 397 -5.440 5.490 7.332 1.00 0.19 O ATOM 1141 CB TYR A 397 -3.689 4.506 4.927 1.00 0.18 C ATOM 1142 CG TYR A 397 -3.073 4.807 3.574 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -1.989 5.664 3.445 1.00 0.20 C ATOM 1144 CD2 TYR A 397 -3.582 4.229 2.421 1.00 0.26 C ATOM 1145 CE1 TYR A 397 -1.436 5.941 2.221 1.00 0.22 C ATOM 1146 CE2 TYR A 397 -3.031 4.496 1.189 1.00 0.32 C ATOM 1147 CZ TYR A 397 -1.957 5.358 1.093 1.00 0.25 C ATOM 1148 OH TYR A 397 -1.418 5.654 -0.135 1.00 0.35 O ATOM 0 H TYR A 397 -1.438 5.016 5.828 1.00 0.15 H new ATOM 0 HA TYR A 397 -3.795 6.545 5.619 1.00 0.15 H new ATOM 0 HB2 TYR A 397 -3.291 3.558 5.289 1.00 0.18 H new ATOM 0 HB3 TYR A 397 -4.763 4.373 4.800 1.00 0.18 H new ATOM 0 HD1 TYR A 397 -1.571 6.123 4.329 1.00 0.20 H new ATOM 0 HD2 TYR A 397 -4.425 3.558 2.491 1.00 0.26 H new ATOM 0 HE1 TYR A 397 -0.595 6.614 2.145 1.00 0.22 H new ATOM 0 HE2 TYR A 397 -3.437 4.034 0.301 1.00 0.32 H new ATOM 0 HH TYR A 397 -2.117 6.013 -0.721 1.00 0.35 H new ATOM 1158 N TYR A 398 -3.554 4.652 8.234 1.00 0.24 N ATOM 1159 CA TYR A 398 -4.181 4.310 9.502 1.00 0.29 C ATOM 1160 C TYR A 398 -4.551 5.570 10.280 1.00 0.31 C ATOM 1161 O TYR A 398 -5.625 5.651 10.876 1.00 0.39 O ATOM 1162 CB TYR A 398 -3.251 3.424 10.332 1.00 0.33 C ATOM 1163 CG TYR A 398 -3.038 2.064 9.713 1.00 0.35 C ATOM 1164 CD1 TYR A 398 -4.125 1.297 9.320 1.00 0.41 C ATOM 1165 CD2 TYR A 398 -1.764 1.555 9.501 1.00 0.43 C ATOM 1166 CE1 TYR A 398 -3.954 0.063 8.738 1.00 0.48 C ATOM 1167 CE2 TYR A 398 -1.581 0.317 8.915 1.00 0.49 C ATOM 1168 CZ TYR A 398 -2.681 -0.425 8.535 1.00 0.50 C ATOM 1169 OH TYR A 398 -2.507 -1.656 7.944 1.00 0.60 O ATOM 0 H TYR A 398 -2.566 4.405 8.172 1.00 0.24 H new ATOM 0 HA TYR A 398 -5.097 3.757 9.294 1.00 0.29 H new ATOM 0 HB2 TYR A 398 -2.288 3.922 10.446 1.00 0.33 H new ATOM 0 HB3 TYR A 398 -3.668 3.303 11.332 1.00 0.33 H new ATOM 0 HD1 TYR A 398 -5.124 1.676 9.474 1.00 0.41 H new ATOM 0 HD2 TYR A 398 -0.903 2.135 9.798 1.00 0.43 H new ATOM 0 HE1 TYR A 398 -4.813 -0.521 8.441 1.00 0.48 H new ATOM 0 HE2 TYR A 398 -0.584 -0.067 8.755 1.00 0.49 H new ATOM 0 HH TYR A 398 -1.549 -1.852 7.873 1.00 0.60 H new ATOM 1179 N LYS A 399 -3.658 6.556 10.251 1.00 0.28 N ATOM 1180 CA LYS A 399 -3.880 7.828 10.922 1.00 0.32 C ATOM 1181 C LYS A 399 -4.846 8.673 10.122 1.00 0.29 C ATOM 1182 O LYS A 399 -5.640 9.446 10.662 1.00 0.31 O ATOM 1183 CB LYS A 399 -2.566 8.582 11.053 1.00 0.37 C ATOM 1184 CG LYS A 399 -1.579 7.942 12.014 1.00 0.53 C ATOM 1185 CD LYS A 399 -1.090 6.584 11.547 1.00 0.68 C ATOM 1186 CE LYS A 399 -0.161 5.945 12.563 1.00 1.31 C ATOM 1187 NZ LYS A 399 1.118 6.689 12.699 1.00 1.98 N ATOM 0 H LYS A 399 -2.764 6.494 9.763 1.00 0.28 H new ATOM 0 HA LYS A 399 -4.294 7.631 11.911 1.00 0.32 H new ATOM 0 HB2 LYS A 399 -2.103 8.657 10.069 1.00 0.37 H new ATOM 0 HB3 LYS A 399 -2.774 9.599 11.386 1.00 0.37 H new ATOM 0 HG2 LYS A 399 -0.724 8.605 12.142 1.00 0.53 H new ATOM 0 HG3 LYS A 399 -2.049 7.836 12.992 1.00 0.53 H new ATOM 0 HD2 LYS A 399 -1.944 5.930 11.372 1.00 0.68 H new ATOM 0 HD3 LYS A 399 -0.570 6.691 10.595 1.00 0.68 H new ATOM 0 HE2 LYS A 399 -0.659 5.902 13.532 1.00 1.31 H new ATOM 0 HE3 LYS A 399 0.048 4.917 12.266 1.00 1.31 H new ATOM 0 HZ1 LYS A 399 1.773 6.147 13.298 1.00 1.98 H new ATOM 0 HZ2 LYS A 399 1.541 6.827 11.759 1.00 1.98 H new ATOM 0 HZ3 LYS A 399 0.936 7.615 13.136 1.00 1.98 H new ATOM 1201 N LEU A 400 -4.763 8.502 8.819 1.00 0.25 N ATOM 1202 CA LEU A 400 -5.609 9.212 7.876 1.00 0.23 C ATOM 1203 C LEU A 400 -7.007 8.632 7.859 1.00 0.22 C ATOM 1204 O LEU A 400 -7.882 9.117 7.145 1.00 0.26 O ATOM 1205 CB LEU A 400 -5.023 9.090 6.481 1.00 0.22 C ATOM 1206 CG LEU A 400 -3.614 9.620 6.327 1.00 0.25 C ATOM 1207 CD1 LEU A 400 -2.954 9.023 5.107 1.00 0.23 C ATOM 1208 CD2 LEU A 400 -3.646 11.115 6.216 1.00 0.36 C ATOM 0 H LEU A 400 -4.102 7.862 8.379 1.00 0.25 H new ATOM 0 HA LEU A 400 -5.658 10.256 8.184 1.00 0.23 H new ATOM 0 HB2 LEU A 400 -5.033 8.040 6.190 1.00 0.22 H new ATOM 0 HB3 LEU A 400 -5.672 9.620 5.784 1.00 0.22 H new ATOM 0 HG LEU A 400 -3.034 9.337 7.205 1.00 0.25 H new ATOM 0 HD11 LEU A 400 -1.942 9.416 5.012 1.00 0.23 H new ATOM 0 HD12 LEU A 400 -2.915 7.938 5.209 1.00 0.23 H new ATOM 0 HD13 LEU A 400 -3.529 9.283 4.218 1.00 0.23 H new ATOM 0 HD21 LEU A 400 -2.630 11.493 6.105 1.00 0.36 H new ATOM 0 HD22 LEU A 400 -4.237 11.403 5.347 1.00 0.36 H new ATOM 0 HD23 LEU A 400 -4.094 11.537 7.115 1.00 0.36 H new ATOM 1220 N ASN A 401 -7.182 7.567 8.650 1.00 0.22 N ATOM 1221 CA ASN A 401 -8.436 6.824 8.746 1.00 0.24 C ATOM 1222 C ASN A 401 -9.004 6.528 7.364 1.00 0.19 C ATOM 1223 O ASN A 401 -10.206 6.597 7.132 1.00 0.23 O ATOM 1224 CB ASN A 401 -9.464 7.513 9.673 1.00 0.33 C ATOM 1225 CG ASN A 401 -9.722 8.976 9.365 1.00 1.01 C ATOM 1226 OD1 ASN A 401 -10.637 9.318 8.612 1.00 1.77 O ATOM 1227 ND2 ASN A 401 -8.911 9.851 9.947 1.00 1.24 N ATOM 0 H ASN A 401 -6.444 7.195 9.248 1.00 0.22 H new ATOM 0 HA ASN A 401 -8.210 5.867 9.216 1.00 0.24 H new ATOM 0 HB2 ASN A 401 -10.408 6.972 9.610 1.00 0.33 H new ATOM 0 HB3 ASN A 401 -9.116 7.429 10.703 1.00 0.33 H new ATOM 0 HD21 ASN A 401 -9.032 10.850 9.778 1.00 1.24 H new ATOM 0 HD22 ASN A 401 -8.166 9.525 10.563 1.00 1.24 H new ATOM 1234 N ILE A 402 -8.095 6.213 6.446 1.00 0.15 N ATOM 1235 CA ILE A 402 -8.447 5.758 5.111 1.00 0.13 C ATOM 1236 C ILE A 402 -8.656 4.258 5.141 1.00 0.13 C ATOM 1237 O ILE A 402 -9.566 3.722 4.514 1.00 0.15 O ATOM 1238 CB ILE A 402 -7.318 6.086 4.110 1.00 0.12 C ATOM 1239 CG1 ILE A 402 -7.070 7.595 4.086 1.00 0.13 C ATOM 1240 CG2 ILE A 402 -7.648 5.560 2.715 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.838 7.993 3.304 1.00 0.14 C ATOM 0 H ILE A 402 -7.090 6.267 6.611 1.00 0.15 H new ATOM 0 HA ILE A 402 -9.358 6.265 4.795 1.00 0.13 H new ATOM 0 HB ILE A 402 -6.406 5.587 4.436 1.00 0.12 H new ATOM 0 HG12 ILE A 402 -7.940 8.091 3.655 1.00 0.13 H new ATOM 0 HG13 ILE A 402 -6.972 7.955 5.110 1.00 0.13 H new ATOM 0 HG21 ILE A 402 -6.835 5.806 2.032 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -7.774 4.478 2.755 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -8.571 6.020 2.361 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -5.725 9.077 3.330 1.00 0.14 H new ATOM 0 HD12 ILE A 402 -4.959 7.526 3.748 1.00 0.14 H new ATOM 0 HD13 ILE A 402 -5.941 7.664 2.270 1.00 0.14 H new ATOM 1253 N ILE A 403 -7.808 3.599 5.909 1.00 0.14 N ATOM 1254 CA ILE A 403 -7.811 2.155 6.011 1.00 0.14 C ATOM 1255 C ILE A 403 -7.646 1.740 7.464 1.00 0.17 C ATOM 1256 O ILE A 403 -6.820 2.298 8.187 1.00 0.26 O ATOM 1257 CB ILE A 403 -6.672 1.547 5.160 1.00 0.16 C ATOM 1258 CG1 ILE A 403 -6.942 1.783 3.670 1.00 0.16 C ATOM 1259 CG2 ILE A 403 -6.495 0.063 5.450 1.00 0.18 C ATOM 1260 CD1 ILE A 403 -5.785 1.409 2.771 1.00 0.20 C ATOM 0 H ILE A 403 -7.096 4.054 6.481 1.00 0.14 H new ATOM 0 HA ILE A 403 -8.764 1.782 5.634 1.00 0.14 H new ATOM 0 HB ILE A 403 -5.742 2.046 5.430 1.00 0.16 H new ATOM 0 HG12 ILE A 403 -7.820 1.208 3.374 1.00 0.16 H new ATOM 0 HG13 ILE A 403 -7.183 2.835 3.517 1.00 0.16 H new ATOM 0 HG21 ILE A 403 -5.687 -0.334 4.836 1.00 0.18 H new ATOM 0 HG22 ILE A 403 -6.252 -0.075 6.503 1.00 0.18 H new ATOM 0 HG23 ILE A 403 -7.420 -0.466 5.219 1.00 0.18 H new ATOM 0 HD11 ILE A 403 -6.053 1.605 1.733 1.00 0.20 H new ATOM 0 HD12 ILE A 403 -4.910 2.002 3.038 1.00 0.20 H new ATOM 0 HD13 ILE A 403 -5.557 0.350 2.893 1.00 0.20 H new ATOM 1272 N ARG A 404 -8.454 0.791 7.900 1.00 0.14 N ATOM 1273 CA ARG A 404 -8.312 0.225 9.228 1.00 0.18 C ATOM 1274 C ARG A 404 -8.358 -1.286 9.126 1.00 0.20 C ATOM 1275 O ARG A 404 -8.773 -1.824 8.105 1.00 0.28 O ATOM 1276 CB ARG A 404 -9.420 0.721 10.161 1.00 0.27 C ATOM 1277 CG ARG A 404 -10.738 -0.016 10.011 1.00 0.45 C ATOM 1278 CD ARG A 404 -11.136 -0.651 11.330 1.00 0.76 C ATOM 1279 NE ARG A 404 -12.317 -1.500 11.216 1.00 1.16 N ATOM 1280 CZ ARG A 404 -13.218 -1.651 12.182 1.00 1.23 C ATOM 1281 NH1 ARG A 404 -13.087 -0.993 13.328 1.00 1.04 N ATOM 1282 NH2 ARG A 404 -14.243 -2.473 12.005 1.00 2.08 N ATOM 0 H ARG A 404 -9.218 0.395 7.352 1.00 0.14 H new ATOM 0 HA ARG A 404 -7.357 0.542 9.647 1.00 0.18 H new ATOM 0 HB2 ARG A 404 -9.080 0.627 11.192 1.00 0.27 H new ATOM 0 HB3 ARG A 404 -9.587 1.782 9.976 1.00 0.27 H new ATOM 0 HG2 ARG A 404 -11.514 0.675 9.683 1.00 0.45 H new ATOM 0 HG3 ARG A 404 -10.649 -0.783 9.242 1.00 0.45 H new ATOM 0 HD2 ARG A 404 -10.303 -1.244 11.708 1.00 0.76 H new ATOM 0 HD3 ARG A 404 -11.327 0.133 12.062 1.00 0.76 H new ATOM 0 HE ARG A 404 -12.460 -2.008 10.343 1.00 1.16 H new ATOM 0 HH11 ARG A 404 -12.293 -0.369 13.470 1.00 1.04 H new ATOM 0 HH12 ARG A 404 -13.781 -1.112 14.066 1.00 1.04 H new ATOM 0 HH21 ARG A 404 -14.339 -2.988 11.130 1.00 2.08 H new ATOM 0 HH22 ARG A 404 -14.936 -2.591 12.744 1.00 2.08 H new ATOM 1296 N LYS A 405 -7.919 -1.959 10.170 1.00 0.24 N ATOM 1297 CA LYS A 405 -7.954 -3.408 10.207 1.00 0.26 C ATOM 1298 C LYS A 405 -9.197 -3.915 10.892 1.00 0.27 C ATOM 1299 O LYS A 405 -9.527 -3.503 12.008 1.00 0.34 O ATOM 1300 CB LYS A 405 -6.723 -3.939 10.915 1.00 0.31 C ATOM 1301 CG LYS A 405 -5.517 -3.926 10.025 1.00 0.58 C ATOM 1302 CD LYS A 405 -4.228 -4.013 10.819 1.00 0.69 C ATOM 1303 CE LYS A 405 -3.011 -4.119 9.914 1.00 1.31 C ATOM 1304 NZ LYS A 405 -1.761 -4.332 10.691 1.00 1.73 N ATOM 0 H LYS A 405 -7.532 -1.524 11.008 1.00 0.24 H new ATOM 0 HA LYS A 405 -7.967 -3.767 9.178 1.00 0.26 H new ATOM 0 HB2 LYS A 405 -6.526 -3.337 11.802 1.00 0.31 H new ATOM 0 HB3 LYS A 405 -6.911 -4.957 11.256 1.00 0.31 H new ATOM 0 HG2 LYS A 405 -5.571 -4.762 9.328 1.00 0.58 H new ATOM 0 HG3 LYS A 405 -5.515 -3.013 9.429 1.00 0.58 H new ATOM 0 HD2 LYS A 405 -4.133 -3.132 11.454 1.00 0.69 H new ATOM 0 HD3 LYS A 405 -4.266 -4.879 11.479 1.00 0.69 H new ATOM 0 HE2 LYS A 405 -3.149 -4.944 9.215 1.00 1.31 H new ATOM 0 HE3 LYS A 405 -2.919 -3.209 9.320 1.00 1.31 H new ATOM 0 HZ1 LYS A 405 -0.954 -4.399 10.039 1.00 1.73 H new ATOM 0 HZ2 LYS A 405 -1.616 -3.533 11.341 1.00 1.73 H new ATOM 0 HZ3 LYS A 405 -1.838 -5.213 11.238 1.00 1.73 H new ATOM 1318 N GLU A 406 -9.875 -4.815 10.206 1.00 0.26 N ATOM 1319 CA GLU A 406 -11.057 -5.458 10.738 1.00 0.27 C ATOM 1320 C GLU A 406 -10.739 -6.257 11.998 1.00 0.29 C ATOM 1321 O GLU A 406 -9.664 -6.856 12.118 1.00 0.33 O ATOM 1322 CB GLU A 406 -11.688 -6.337 9.689 1.00 0.26 C ATOM 1323 CG GLU A 406 -12.558 -5.555 8.731 1.00 0.28 C ATOM 1324 CD GLU A 406 -13.295 -4.400 9.391 1.00 0.56 C ATOM 1325 OE1 GLU A 406 -14.335 -4.632 10.035 1.00 0.84 O ATOM 1326 OE2 GLU A 406 -12.824 -3.247 9.281 1.00 0.81 O ATOM 0 H GLU A 406 -9.621 -5.119 9.266 1.00 0.26 H new ATOM 0 HA GLU A 406 -11.769 -4.681 11.017 1.00 0.27 H new ATOM 0 HB2 GLU A 406 -10.906 -6.850 9.130 1.00 0.26 H new ATOM 0 HB3 GLU A 406 -12.288 -7.106 10.176 1.00 0.26 H new ATOM 0 HG2 GLU A 406 -11.938 -5.167 7.923 1.00 0.28 H new ATOM 0 HG3 GLU A 406 -13.285 -6.229 8.279 1.00 0.28 H new ATOM 1333 N PRO A 407 -11.681 -6.263 12.950 1.00 0.34 N ATOM 1334 CA PRO A 407 -11.494 -6.850 14.283 1.00 0.38 C ATOM 1335 C PRO A 407 -11.256 -8.361 14.265 1.00 0.41 C ATOM 1336 O PRO A 407 -12.129 -9.137 13.868 1.00 0.44 O ATOM 1337 CB PRO A 407 -12.817 -6.525 14.986 1.00 0.43 C ATOM 1338 CG PRO A 407 -13.796 -6.375 13.880 1.00 0.48 C ATOM 1339 CD PRO A 407 -13.030 -5.695 12.794 1.00 0.45 C ATOM 0 HA PRO A 407 -10.606 -6.450 14.773 1.00 0.38 H new ATOM 0 HB2 PRO A 407 -13.109 -7.322 15.670 1.00 0.43 H new ATOM 0 HB3 PRO A 407 -12.740 -5.611 15.575 1.00 0.43 H new ATOM 0 HG2 PRO A 407 -14.176 -7.343 13.552 1.00 0.48 H new ATOM 0 HG3 PRO A 407 -14.657 -5.783 14.189 1.00 0.48 H new ATOM 0 HD2 PRO A 407 -13.448 -5.906 11.810 1.00 0.45 H new ATOM 0 HD3 PRO A 407 -13.030 -4.612 12.915 1.00 0.45 H new ATOM 1347 N GLY A 408 -10.068 -8.768 14.699 1.00 0.51 N ATOM 1348 CA GLY A 408 -9.756 -10.181 14.815 1.00 0.60 C ATOM 1349 C GLY A 408 -9.449 -10.821 13.479 1.00 0.56 C ATOM 1350 O GLY A 408 -9.782 -11.982 13.247 1.00 0.66 O ATOM 0 H GLY A 408 -9.312 -8.141 14.974 1.00 0.51 H new ATOM 0 HA2 GLY A 408 -8.901 -10.307 15.479 1.00 0.60 H new ATOM 0 HA3 GLY A 408 -10.597 -10.698 15.277 1.00 0.60 H new ATOM 1354 N GLN A 409 -8.814 -10.068 12.596 1.00 0.53 N ATOM 1355 CA GLN A 409 -8.480 -10.573 11.274 1.00 0.52 C ATOM 1356 C GLN A 409 -6.992 -10.437 10.987 1.00 0.48 C ATOM 1357 O GLN A 409 -6.275 -9.740 11.708 1.00 0.62 O ATOM 1358 CB GLN A 409 -9.276 -9.832 10.204 1.00 0.67 C ATOM 1359 CG GLN A 409 -10.778 -10.068 10.267 1.00 0.77 C ATOM 1360 CD GLN A 409 -11.185 -11.423 9.740 1.00 0.90 C ATOM 1361 OE1 GLN A 409 -10.444 -12.402 9.838 1.00 1.81 O ATOM 1362 NE2 GLN A 409 -12.356 -11.479 9.143 1.00 1.10 N ATOM 0 H GLN A 409 -8.520 -9.107 12.770 1.00 0.53 H new ATOM 0 HA GLN A 409 -8.740 -11.631 11.252 1.00 0.52 H new ATOM 0 HB2 GLN A 409 -9.083 -8.763 10.299 1.00 0.67 H new ATOM 0 HB3 GLN A 409 -8.913 -10.135 9.222 1.00 0.67 H new ATOM 0 HG2 GLN A 409 -11.112 -9.971 11.300 1.00 0.77 H new ATOM 0 HG3 GLN A 409 -11.286 -9.293 9.693 1.00 0.77 H new ATOM 0 HE21 GLN A 409 -12.939 -10.644 9.084 1.00 1.10 H new ATOM 0 HE22 GLN A 409 -12.681 -12.357 8.739 1.00 1.10 H new ATOM 1371 N ARG A 410 -6.532 -11.112 9.938 1.00 0.44 N ATOM 1372 CA ARG A 410 -5.144 -10.998 9.503 1.00 0.41 C ATOM 1373 C ARG A 410 -4.927 -9.698 8.730 1.00 0.34 C ATOM 1374 O ARG A 410 -4.750 -8.633 9.321 1.00 0.49 O ATOM 1375 CB ARG A 410 -4.701 -12.207 8.646 1.00 0.45 C ATOM 1376 CG ARG A 410 -5.811 -13.186 8.255 1.00 0.57 C ATOM 1377 CD ARG A 410 -6.750 -12.632 7.181 1.00 0.62 C ATOM 1378 NE ARG A 410 -6.101 -12.472 5.866 1.00 0.96 N ATOM 1379 CZ ARG A 410 -5.684 -13.492 5.098 1.00 1.65 C ATOM 1380 NH1 ARG A 410 -5.898 -14.747 5.473 1.00 2.14 N ATOM 1381 NH2 ARG A 410 -5.082 -13.251 3.935 1.00 2.29 N ATOM 0 H ARG A 410 -7.100 -11.744 9.373 1.00 0.44 H new ATOM 0 HA ARG A 410 -4.527 -10.987 10.402 1.00 0.41 H new ATOM 0 HB2 ARG A 410 -4.235 -11.832 7.735 1.00 0.45 H new ATOM 0 HB3 ARG A 410 -3.934 -12.755 9.193 1.00 0.45 H new ATOM 0 HG2 ARG A 410 -5.361 -14.111 7.894 1.00 0.57 H new ATOM 0 HG3 ARG A 410 -6.392 -13.440 9.141 1.00 0.57 H new ATOM 0 HD2 ARG A 410 -7.606 -13.299 7.077 1.00 0.62 H new ATOM 0 HD3 ARG A 410 -7.136 -11.666 7.508 1.00 0.62 H new ATOM 0 HE ARG A 410 -5.960 -11.524 5.517 1.00 0.96 H new ATOM 0 HH11 ARG A 410 -6.382 -14.942 6.349 1.00 2.14 H new ATOM 0 HH12 ARG A 410 -5.579 -15.517 4.885 1.00 2.14 H new ATOM 0 HH21 ARG A 410 -4.937 -12.290 3.626 1.00 2.29 H new ATOM 0 HH22 ARG A 410 -4.766 -14.027 3.354 1.00 2.29 H new ATOM 1395 N LEU A 411 -4.967 -9.791 7.408 1.00 0.21 N ATOM 1396 CA LEU A 411 -4.806 -8.630 6.541 1.00 0.15 C ATOM 1397 C LEU A 411 -6.154 -8.157 6.016 1.00 0.11 C ATOM 1398 O LEU A 411 -6.264 -7.677 4.887 1.00 0.12 O ATOM 1399 CB LEU A 411 -3.852 -8.929 5.382 1.00 0.14 C ATOM 1400 CG LEU A 411 -2.381 -9.075 5.779 1.00 0.17 C ATOM 1401 CD1 LEU A 411 -1.897 -10.498 5.557 1.00 0.20 C ATOM 1402 CD2 LEU A 411 -1.530 -8.092 4.994 1.00 0.16 C ATOM 0 H LEU A 411 -5.111 -10.668 6.908 1.00 0.21 H new ATOM 0 HA LEU A 411 -4.368 -7.830 7.137 1.00 0.15 H new ATOM 0 HB2 LEU A 411 -4.174 -9.849 4.893 1.00 0.14 H new ATOM 0 HB3 LEU A 411 -3.937 -8.130 4.645 1.00 0.14 H new ATOM 0 HG LEU A 411 -2.286 -8.852 6.842 1.00 0.17 H new ATOM 0 HD11 LEU A 411 -0.849 -10.575 5.847 1.00 0.20 H new ATOM 0 HD12 LEU A 411 -2.492 -11.183 6.161 1.00 0.20 H new ATOM 0 HD13 LEU A 411 -2.002 -10.758 4.504 1.00 0.20 H new ATOM 0 HD21 LEU A 411 -0.485 -8.203 5.283 1.00 0.16 H new ATOM 0 HD22 LEU A 411 -1.634 -8.291 3.927 1.00 0.16 H new ATOM 0 HD23 LEU A 411 -1.859 -7.075 5.207 1.00 0.16 H new ATOM 1414 N LEU A 412 -7.191 -8.360 6.814 1.00 0.12 N ATOM 1415 CA LEU A 412 -8.511 -7.860 6.479 1.00 0.10 C ATOM 1416 C LEU A 412 -8.627 -6.414 6.899 1.00 0.09 C ATOM 1417 O LEU A 412 -8.458 -6.076 8.073 1.00 0.10 O ATOM 1418 CB LEU A 412 -9.597 -8.679 7.157 1.00 0.12 C ATOM 1419 CG LEU A 412 -10.744 -9.105 6.259 1.00 0.13 C ATOM 1420 CD1 LEU A 412 -11.024 -8.043 5.233 1.00 0.12 C ATOM 1421 CD2 LEU A 412 -10.408 -10.413 5.591 1.00 0.15 C ATOM 0 H LEU A 412 -7.142 -8.868 7.697 1.00 0.12 H new ATOM 0 HA LEU A 412 -8.645 -7.943 5.400 1.00 0.10 H new ATOM 0 HB2 LEU A 412 -9.142 -9.572 7.585 1.00 0.12 H new ATOM 0 HB3 LEU A 412 -10.002 -8.099 7.986 1.00 0.12 H new ATOM 0 HG LEU A 412 -11.641 -9.240 6.864 1.00 0.13 H new ATOM 0 HD11 LEU A 412 -11.849 -8.361 4.596 1.00 0.12 H new ATOM 0 HD12 LEU A 412 -11.292 -7.113 5.735 1.00 0.12 H new ATOM 0 HD13 LEU A 412 -10.135 -7.883 4.623 1.00 0.12 H new ATOM 0 HD21 LEU A 412 -11.234 -10.715 4.947 1.00 0.15 H new ATOM 0 HD22 LEU A 412 -9.505 -10.294 4.992 1.00 0.15 H new ATOM 0 HD23 LEU A 412 -10.241 -11.177 6.350 1.00 0.15 H new ATOM 1433 N PHE A 413 -8.916 -5.572 5.937 1.00 0.09 N ATOM 1434 CA PHE A 413 -8.925 -4.139 6.163 1.00 0.10 C ATOM 1435 C PHE A 413 -10.258 -3.549 5.745 1.00 0.09 C ATOM 1436 O PHE A 413 -11.129 -4.247 5.226 1.00 0.10 O ATOM 1437 CB PHE A 413 -7.810 -3.427 5.383 1.00 0.12 C ATOM 1438 CG PHE A 413 -6.426 -3.998 5.541 1.00 0.11 C ATOM 1439 CD1 PHE A 413 -6.069 -4.743 6.651 1.00 0.12 C ATOM 1440 CD2 PHE A 413 -5.480 -3.780 4.559 1.00 0.12 C ATOM 1441 CE1 PHE A 413 -4.796 -5.261 6.777 1.00 0.13 C ATOM 1442 CE2 PHE A 413 -4.207 -4.292 4.679 1.00 0.13 C ATOM 1443 CZ PHE A 413 -3.865 -5.035 5.790 1.00 0.14 C ATOM 0 H PHE A 413 -9.150 -5.852 4.984 1.00 0.09 H new ATOM 0 HA PHE A 413 -8.758 -3.986 7.229 1.00 0.10 H new ATOM 0 HB2 PHE A 413 -8.069 -3.441 4.324 1.00 0.12 H new ATOM 0 HB3 PHE A 413 -7.788 -2.382 5.692 1.00 0.12 H new ATOM 0 HD1 PHE A 413 -6.796 -4.922 7.429 1.00 0.12 H new ATOM 0 HD2 PHE A 413 -5.742 -3.201 3.686 1.00 0.12 H new ATOM 0 HE1 PHE A 413 -4.532 -5.842 7.648 1.00 0.13 H new ATOM 0 HE2 PHE A 413 -3.477 -4.112 3.904 1.00 0.13 H new ATOM 0 HZ PHE A 413 -2.868 -5.439 5.885 1.00 0.14 H new ATOM 1453 N ARG A 414 -10.394 -2.259 5.965 1.00 0.11 N ATOM 1454 CA ARG A 414 -11.594 -1.535 5.605 1.00 0.10 C ATOM 1455 C ARG A 414 -11.233 -0.190 4.996 1.00 0.09 C ATOM 1456 O ARG A 414 -10.516 0.600 5.617 1.00 0.12 O ATOM 1457 CB ARG A 414 -12.460 -1.316 6.845 1.00 0.16 C ATOM 1458 CG ARG A 414 -13.724 -0.523 6.587 1.00 0.22 C ATOM 1459 CD ARG A 414 -14.498 -0.294 7.874 1.00 0.35 C ATOM 1460 NE ARG A 414 -14.895 -1.547 8.515 1.00 0.99 N ATOM 1461 CZ ARG A 414 -16.142 -1.821 8.907 1.00 1.11 C ATOM 1462 NH1 ARG A 414 -17.103 -0.918 8.760 1.00 1.13 N ATOM 1463 NH2 ARG A 414 -16.424 -3.001 9.446 1.00 2.09 N ATOM 0 H ARG A 414 -9.674 -1.682 6.399 1.00 0.11 H new ATOM 0 HA ARG A 414 -12.149 -2.121 4.873 1.00 0.10 H new ATOM 0 HB2 ARG A 414 -12.732 -2.286 7.261 1.00 0.16 H new ATOM 0 HB3 ARG A 414 -11.868 -0.800 7.601 1.00 0.16 H new ATOM 0 HG2 ARG A 414 -13.470 0.436 6.136 1.00 0.22 H new ATOM 0 HG3 ARG A 414 -14.351 -1.055 5.872 1.00 0.22 H new ATOM 0 HD2 ARG A 414 -13.886 0.287 8.565 1.00 0.35 H new ATOM 0 HD3 ARG A 414 -15.387 0.299 7.660 1.00 0.35 H new ATOM 0 HE ARG A 414 -14.177 -2.254 8.672 1.00 0.99 H new ATOM 0 HH11 ARG A 414 -16.891 -0.010 8.346 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -18.054 -1.132 9.061 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -15.688 -3.698 9.561 1.00 2.09 H new ATOM 0 HH22 ARG A 414 -17.376 -3.210 9.745 1.00 2.09 H new ATOM 1477 N PHE A 415 -11.708 0.061 3.785 1.00 0.10 N ATOM 1478 CA PHE A 415 -11.586 1.381 3.189 1.00 0.11 C ATOM 1479 C PHE A 415 -12.597 2.313 3.834 1.00 0.12 C ATOM 1480 O PHE A 415 -13.760 2.364 3.433 1.00 0.18 O ATOM 1481 CB PHE A 415 -11.801 1.348 1.672 1.00 0.14 C ATOM 1482 CG PHE A 415 -10.555 1.062 0.878 1.00 0.15 C ATOM 1483 CD1 PHE A 415 -9.586 2.040 0.726 1.00 0.17 C ATOM 1484 CD2 PHE A 415 -10.356 -0.170 0.273 1.00 0.17 C ATOM 1485 CE1 PHE A 415 -8.443 1.798 -0.007 1.00 0.20 C ATOM 1486 CE2 PHE A 415 -9.212 -0.419 -0.464 1.00 0.20 C ATOM 1487 CZ PHE A 415 -8.254 0.569 -0.604 1.00 0.21 C ATOM 0 H PHE A 415 -12.179 -0.629 3.199 1.00 0.10 H new ATOM 0 HA PHE A 415 -10.572 1.741 3.366 1.00 0.11 H new ATOM 0 HB2 PHE A 415 -12.549 0.590 1.439 1.00 0.14 H new ATOM 0 HB3 PHE A 415 -12.209 2.307 1.353 1.00 0.14 H new ATOM 0 HD1 PHE A 415 -9.727 3.006 1.188 1.00 0.17 H new ATOM 0 HD2 PHE A 415 -11.102 -0.944 0.378 1.00 0.17 H new ATOM 0 HE1 PHE A 415 -7.696 2.571 -0.114 1.00 0.20 H new ATOM 0 HE2 PHE A 415 -9.067 -1.383 -0.929 1.00 0.20 H new ATOM 0 HZ PHE A 415 -7.360 0.379 -1.179 1.00 0.21 H new ATOM 1497 N MET A 416 -12.148 3.038 4.845 1.00 0.14 N ATOM 1498 CA MET A 416 -13.008 3.953 5.579 1.00 0.17 C ATOM 1499 C MET A 416 -13.460 5.090 4.676 1.00 0.20 C ATOM 1500 O MET A 416 -14.467 5.743 4.943 1.00 0.29 O ATOM 1501 CB MET A 416 -12.275 4.523 6.794 1.00 0.23 C ATOM 1502 CG MET A 416 -11.751 3.471 7.762 1.00 0.30 C ATOM 1503 SD MET A 416 -13.067 2.579 8.612 1.00 1.30 S ATOM 1504 CE MET A 416 -13.874 3.908 9.505 1.00 1.23 C ATOM 0 H MET A 416 -11.185 3.010 5.179 1.00 0.14 H new ATOM 0 HA MET A 416 -13.881 3.398 5.922 1.00 0.17 H new ATOM 0 HB2 MET A 416 -11.438 5.129 6.447 1.00 0.23 H new ATOM 0 HB3 MET A 416 -12.950 5.189 7.331 1.00 0.23 H new ATOM 0 HG2 MET A 416 -11.131 2.760 7.216 1.00 0.30 H new ATOM 0 HG3 MET A 416 -11.110 3.952 8.501 1.00 0.30 H new ATOM 0 HE1 MET A 416 -14.456 3.493 10.328 1.00 1.23 H new ATOM 0 HE2 MET A 416 -13.121 4.590 9.901 1.00 1.23 H new ATOM 0 HE3 MET A 416 -14.536 4.450 8.830 1.00 1.23 H new ATOM 1514 N LYS A 417 -12.705 5.322 3.607 1.00 0.18 N ATOM 1515 CA LYS A 417 -13.035 6.363 2.652 1.00 0.21 C ATOM 1516 C LYS A 417 -12.351 6.103 1.309 1.00 0.22 C ATOM 1517 O LYS A 417 -11.310 5.447 1.244 1.00 0.26 O ATOM 1518 CB LYS A 417 -12.633 7.730 3.204 1.00 0.22 C ATOM 1519 CG LYS A 417 -11.134 7.940 3.321 1.00 0.18 C ATOM 1520 CD LYS A 417 -10.806 9.346 3.797 1.00 0.20 C ATOM 1521 CE LYS A 417 -10.635 9.412 5.307 1.00 0.36 C ATOM 1522 NZ LYS A 417 -11.893 9.094 6.036 1.00 0.61 N ATOM 0 H LYS A 417 -11.858 4.799 3.384 1.00 0.18 H new ATOM 0 HA LYS A 417 -14.113 6.355 2.489 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -13.048 8.505 2.560 1.00 0.22 H new ATOM 0 HB3 LYS A 417 -13.084 7.859 4.188 1.00 0.22 H new ATOM 0 HG2 LYS A 417 -10.716 7.212 4.017 1.00 0.18 H new ATOM 0 HG3 LYS A 417 -10.664 7.763 2.354 1.00 0.18 H new ATOM 0 HD2 LYS A 417 -9.891 9.688 3.313 1.00 0.20 H new ATOM 0 HD3 LYS A 417 -11.601 10.026 3.492 1.00 0.20 H new ATOM 0 HE2 LYS A 417 -9.855 8.714 5.612 1.00 0.36 H new ATOM 0 HE3 LYS A 417 -10.298 10.410 5.588 1.00 0.36 H new ATOM 0 HZ1 LYS A 417 -11.780 9.331 7.042 1.00 0.61 H new ATOM 0 HZ2 LYS A 417 -12.676 9.649 5.635 1.00 0.61 H new ATOM 0 HZ3 LYS A 417 -12.103 8.080 5.941 1.00 0.61 H new ATOM 1536 N THR A 418 -12.961 6.612 0.250 1.00 0.24 N ATOM 1537 CA THR A 418 -12.469 6.436 -1.111 1.00 0.26 C ATOM 1538 C THR A 418 -11.699 7.678 -1.584 1.00 0.23 C ATOM 1539 O THR A 418 -11.677 8.683 -0.875 1.00 0.21 O ATOM 1540 CB THR A 418 -13.651 6.164 -2.063 1.00 0.34 C ATOM 1541 OG1 THR A 418 -14.684 7.143 -1.875 1.00 0.37 O ATOM 1542 CG2 THR A 418 -14.212 4.767 -1.842 1.00 0.40 C ATOM 0 H THR A 418 -13.817 7.163 0.309 1.00 0.24 H new ATOM 0 HA THR A 418 -11.788 5.585 -1.120 1.00 0.26 H new ATOM 0 HB THR A 418 -13.283 6.232 -3.087 1.00 0.34 H new ATOM 0 HG1 THR A 418 -15.112 7.004 -1.004 1.00 0.37 H new ATOM 0 HG21 THR A 418 -15.045 4.597 -2.524 1.00 0.40 H new ATOM 0 HG22 THR A 418 -13.433 4.028 -2.029 1.00 0.40 H new ATOM 0 HG23 THR A 418 -14.561 4.673 -0.814 1.00 0.40 H new ATOM 1550 N PRO A 419 -11.044 7.618 -2.777 1.00 0.24 N ATOM 1551 CA PRO A 419 -10.314 8.752 -3.369 1.00 0.24 C ATOM 1552 C PRO A 419 -10.980 10.109 -3.137 1.00 0.28 C ATOM 1553 O PRO A 419 -10.343 11.036 -2.637 1.00 0.28 O ATOM 1554 CB PRO A 419 -10.330 8.407 -4.854 1.00 0.29 C ATOM 1555 CG PRO A 419 -10.248 6.920 -4.890 1.00 0.30 C ATOM 1556 CD PRO A 419 -10.933 6.417 -3.640 1.00 0.28 C ATOM 0 HA PRO A 419 -9.324 8.866 -2.927 1.00 0.24 H new ATOM 0 HB2 PRO A 419 -11.239 8.767 -5.336 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -9.490 8.864 -5.377 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -10.735 6.527 -5.783 1.00 0.30 H new ATOM 0 HG3 PRO A 419 -9.210 6.590 -4.922 1.00 0.30 H new ATOM 0 HD2 PRO A 419 -11.913 5.996 -3.865 1.00 0.28 H new ATOM 0 HD3 PRO A 419 -10.352 5.631 -3.156 1.00 0.28 H new ATOM 1564 N ASP A 420 -12.259 10.208 -3.494 1.00 0.34 N ATOM 1565 CA ASP A 420 -13.037 11.439 -3.316 1.00 0.43 C ATOM 1566 C ASP A 420 -12.928 11.964 -1.889 1.00 0.40 C ATOM 1567 O ASP A 420 -12.670 13.147 -1.662 1.00 0.44 O ATOM 1568 CB ASP A 420 -14.510 11.176 -3.657 1.00 0.55 C ATOM 1569 CG ASP A 420 -15.427 12.318 -3.260 1.00 0.73 C ATOM 1570 OD1 ASP A 420 -15.530 13.300 -4.022 1.00 0.84 O ATOM 1571 OD2 ASP A 420 -16.080 12.220 -2.202 1.00 0.85 O ATOM 0 H ASP A 420 -12.786 9.442 -3.913 1.00 0.34 H new ATOM 0 HA ASP A 420 -12.631 12.195 -3.988 1.00 0.43 H new ATOM 0 HB2 ASP A 420 -14.603 11.000 -4.729 1.00 0.55 H new ATOM 0 HB3 ASP A 420 -14.836 10.265 -3.155 1.00 0.55 H new ATOM 1576 N GLU A 421 -13.091 11.062 -0.938 1.00 0.35 N ATOM 1577 CA GLU A 421 -13.082 11.408 0.473 1.00 0.35 C ATOM 1578 C GLU A 421 -11.673 11.754 0.957 1.00 0.32 C ATOM 1579 O GLU A 421 -11.494 12.591 1.844 1.00 0.37 O ATOM 1580 CB GLU A 421 -13.643 10.236 1.269 1.00 0.34 C ATOM 1581 CG GLU A 421 -15.120 9.996 1.006 1.00 0.42 C ATOM 1582 CD GLU A 421 -15.575 8.608 1.402 1.00 0.42 C ATOM 1583 OE1 GLU A 421 -15.368 7.665 0.608 1.00 0.38 O ATOM 1584 OE2 GLU A 421 -16.141 8.448 2.500 1.00 0.51 O ATOM 0 H GLU A 421 -13.233 10.069 -1.121 1.00 0.35 H new ATOM 0 HA GLU A 421 -13.701 12.292 0.623 1.00 0.35 H new ATOM 0 HB2 GLU A 421 -13.084 9.334 1.021 1.00 0.34 H new ATOM 0 HB3 GLU A 421 -13.494 10.421 2.333 1.00 0.34 H new ATOM 0 HG2 GLU A 421 -15.705 10.734 1.554 1.00 0.42 H new ATOM 0 HG3 GLU A 421 -15.324 10.150 -0.053 1.00 0.42 H new ATOM 1591 N ILE A 422 -10.678 11.107 0.367 1.00 0.26 N ATOM 1592 CA ILE A 422 -9.288 11.301 0.761 1.00 0.24 C ATOM 1593 C ILE A 422 -8.747 12.625 0.225 1.00 0.29 C ATOM 1594 O ILE A 422 -7.919 13.281 0.866 1.00 0.32 O ATOM 1595 CB ILE A 422 -8.410 10.138 0.251 1.00 0.19 C ATOM 1596 CG1 ILE A 422 -9.014 8.801 0.684 1.00 0.18 C ATOM 1597 CG2 ILE A 422 -6.986 10.273 0.773 1.00 0.24 C ATOM 1598 CD1 ILE A 422 -8.373 7.600 0.028 1.00 0.18 C ATOM 0 H ILE A 422 -10.808 10.438 -0.392 1.00 0.26 H new ATOM 0 HA ILE A 422 -9.253 11.323 1.850 1.00 0.24 H new ATOM 0 HB ILE A 422 -8.378 10.175 -0.838 1.00 0.19 H new ATOM 0 HG12 ILE A 422 -8.921 8.705 1.766 1.00 0.18 H new ATOM 0 HG13 ILE A 422 -10.079 8.803 0.454 1.00 0.18 H new ATOM 0 HG21 ILE A 422 -6.383 9.444 0.403 1.00 0.24 H new ATOM 0 HG22 ILE A 422 -6.560 11.215 0.428 1.00 0.24 H new ATOM 0 HG23 ILE A 422 -6.995 10.257 1.863 1.00 0.24 H new ATOM 0 HD11 ILE A 422 -8.855 6.690 0.385 1.00 0.18 H new ATOM 0 HD12 ILE A 422 -8.489 7.671 -1.054 1.00 0.18 H new ATOM 0 HD13 ILE A 422 -7.313 7.571 0.278 1.00 0.18 H new ATOM 1610 N MET A 423 -9.242 13.028 -0.941 1.00 0.36 N ATOM 1611 CA MET A 423 -8.790 14.253 -1.588 1.00 0.46 C ATOM 1612 C MET A 423 -9.350 15.500 -0.909 1.00 0.55 C ATOM 1613 O MET A 423 -9.247 16.603 -1.440 1.00 0.71 O ATOM 1614 CB MET A 423 -9.165 14.248 -3.066 1.00 0.56 C ATOM 1615 CG MET A 423 -8.450 13.169 -3.854 1.00 0.59 C ATOM 1616 SD MET A 423 -8.692 13.324 -5.634 1.00 0.83 S ATOM 1617 CE MET A 423 -7.964 14.934 -5.930 1.00 1.83 C ATOM 0 H MET A 423 -9.960 12.521 -1.459 1.00 0.36 H new ATOM 0 HA MET A 423 -7.705 14.285 -1.493 1.00 0.46 H new ATOM 0 HB2 MET A 423 -10.242 14.107 -3.162 1.00 0.56 H new ATOM 0 HB3 MET A 423 -8.931 15.221 -3.498 1.00 0.56 H new ATOM 0 HG2 MET A 423 -7.384 13.210 -3.632 1.00 0.59 H new ATOM 0 HG3 MET A 423 -8.806 12.192 -3.528 1.00 0.59 H new ATOM 0 HE1 MET A 423 -7.629 14.997 -6.965 1.00 1.83 H new ATOM 0 HE2 MET A 423 -8.706 15.709 -5.741 1.00 1.83 H new ATOM 0 HE3 MET A 423 -7.113 15.076 -5.264 1.00 1.83 H new ATOM 1627 N SER A 424 -9.946 15.321 0.265 1.00 0.60 N ATOM 1628 CA SER A 424 -10.424 16.445 1.059 1.00 0.72 C ATOM 1629 C SER A 424 -9.245 17.296 1.537 1.00 0.74 C ATOM 1630 O SER A 424 -9.398 18.483 1.822 1.00 0.94 O ATOM 1631 CB SER A 424 -11.245 15.940 2.253 1.00 1.07 C ATOM 1632 OG SER A 424 -11.778 17.016 3.011 1.00 1.70 O ATOM 0 H SER A 424 -10.109 14.407 0.687 1.00 0.60 H new ATOM 0 HA SER A 424 -11.067 17.067 0.436 1.00 0.72 H new ATOM 0 HB2 SER A 424 -12.058 15.308 1.896 1.00 1.07 H new ATOM 0 HB3 SER A 424 -10.616 15.320 2.892 1.00 1.07 H new ATOM 0 HG SER A 424 -12.297 16.661 3.763 1.00 1.70 H new ATOM 1638 N GLY A 425 -8.063 16.685 1.609 1.00 0.81 N ATOM 1639 CA GLY A 425 -6.875 17.428 1.982 1.00 1.23 C ATOM 1640 C GLY A 425 -5.873 16.604 2.769 1.00 0.79 C ATOM 1641 O GLY A 425 -5.228 17.117 3.685 1.00 1.10 O ATOM 0 H GLY A 425 -7.910 15.695 1.417 1.00 0.81 H new ATOM 0 HA2 GLY A 425 -6.394 17.807 1.080 1.00 1.23 H new ATOM 0 HA3 GLY A 425 -7.168 18.294 2.575 1.00 1.23 H new ATOM 1645 N ARG A 426 -5.749 15.324 2.438 1.00 0.59 N ATOM 1646 CA ARG A 426 -4.759 14.468 3.085 1.00 0.47 C ATOM 1647 C ARG A 426 -3.808 13.855 2.061 1.00 0.40 C ATOM 1648 O ARG A 426 -2.821 13.215 2.421 1.00 0.47 O ATOM 1649 CB ARG A 426 -5.442 13.341 3.862 1.00 0.94 C ATOM 1650 CG ARG A 426 -6.394 13.802 4.946 1.00 1.03 C ATOM 1651 CD ARG A 426 -5.742 14.765 5.925 1.00 1.41 C ATOM 1652 NE ARG A 426 -6.685 15.201 6.955 1.00 1.79 N ATOM 1653 CZ ARG A 426 -6.806 16.458 7.380 1.00 2.26 C ATOM 1654 NH1 ARG A 426 -5.993 17.399 6.916 1.00 2.43 N ATOM 1655 NH2 ARG A 426 -7.732 16.772 8.276 1.00 2.85 N ATOM 0 H ARG A 426 -6.317 14.857 1.731 1.00 0.59 H new ATOM 0 HA ARG A 426 -4.190 15.094 3.773 1.00 0.47 H new ATOM 0 HB2 ARG A 426 -5.991 12.715 3.159 1.00 0.94 H new ATOM 0 HB3 ARG A 426 -4.674 12.714 4.315 1.00 0.94 H new ATOM 0 HG2 ARG A 426 -7.256 14.285 4.486 1.00 1.03 H new ATOM 0 HG3 ARG A 426 -6.768 12.934 5.490 1.00 1.03 H new ATOM 0 HD2 ARG A 426 -4.885 14.283 6.395 1.00 1.41 H new ATOM 0 HD3 ARG A 426 -5.363 15.633 5.386 1.00 1.41 H new ATOM 0 HE ARG A 426 -7.290 14.496 7.376 1.00 1.79 H new ATOM 0 HH11 ARG A 426 -5.274 17.160 6.233 1.00 2.43 H new ATOM 0 HH12 ARG A 426 -6.087 18.361 7.243 1.00 2.43 H new ATOM 0 HH21 ARG A 426 -8.354 16.050 8.641 1.00 2.85 H new ATOM 0 HH22 ARG A 426 -7.823 17.735 8.600 1.00 2.85 H new ATOM 1669 N THR A 427 -4.105 14.050 0.785 1.00 0.36 N ATOM 1670 CA THR A 427 -3.373 13.373 -0.274 1.00 0.33 C ATOM 1671 C THR A 427 -1.994 13.976 -0.516 1.00 0.37 C ATOM 1672 O THR A 427 -1.076 13.264 -0.915 1.00 0.38 O ATOM 1673 CB THR A 427 -4.163 13.388 -1.592 1.00 0.35 C ATOM 1674 OG1 THR A 427 -4.456 14.738 -1.971 1.00 0.48 O ATOM 1675 CG2 THR A 427 -5.456 12.603 -1.457 1.00 0.33 C ATOM 0 H THR A 427 -4.846 14.670 0.459 1.00 0.36 H new ATOM 0 HA THR A 427 -3.240 12.346 0.066 1.00 0.33 H new ATOM 0 HB THR A 427 -3.551 12.918 -2.362 1.00 0.35 H new ATOM 0 HG1 THR A 427 -3.784 15.051 -2.611 1.00 0.48 H new ATOM 0 HG21 THR A 427 -5.997 12.628 -2.403 1.00 0.33 H new ATOM 0 HG22 THR A 427 -5.229 11.569 -1.197 1.00 0.33 H new ATOM 0 HG23 THR A 427 -6.071 13.047 -0.675 1.00 0.33 H new ATOM 1683 N ASP A 428 -1.843 15.275 -0.260 1.00 0.45 N ATOM 1684 CA ASP A 428 -0.603 15.974 -0.610 1.00 0.54 C ATOM 1685 C ASP A 428 0.598 15.342 0.084 1.00 0.55 C ATOM 1686 O ASP A 428 1.676 15.221 -0.503 1.00 0.59 O ATOM 1687 CB ASP A 428 -0.690 17.472 -0.287 1.00 0.67 C ATOM 1688 CG ASP A 428 0.075 17.875 0.963 1.00 1.23 C ATOM 1689 OD1 ASP A 428 1.288 18.163 0.860 1.00 1.76 O ATOM 1690 OD2 ASP A 428 -0.529 17.897 2.055 1.00 1.53 O ATOM 0 H ASP A 428 -2.552 15.860 0.182 1.00 0.45 H new ATOM 0 HA ASP A 428 -0.466 15.873 -1.687 1.00 0.54 H new ATOM 0 HB2 ASP A 428 -0.307 18.040 -1.135 1.00 0.67 H new ATOM 0 HB3 ASP A 428 -1.737 17.748 -0.165 1.00 0.67 H new ATOM 1695 N ARG A 429 0.395 14.910 1.322 1.00 0.54 N ATOM 1696 CA ARG A 429 1.456 14.287 2.095 1.00 0.58 C ATOM 1697 C ARG A 429 1.747 12.901 1.551 1.00 0.45 C ATOM 1698 O ARG A 429 2.881 12.452 1.559 1.00 0.46 O ATOM 1699 CB ARG A 429 1.067 14.198 3.575 1.00 0.72 C ATOM 1700 CG ARG A 429 2.258 13.969 4.487 1.00 0.88 C ATOM 1701 CD ARG A 429 3.227 15.133 4.392 1.00 1.22 C ATOM 1702 NE ARG A 429 4.514 14.844 5.013 1.00 1.86 N ATOM 1703 CZ ARG A 429 5.644 15.449 4.669 1.00 2.48 C ATOM 1704 NH1 ARG A 429 5.646 16.348 3.689 1.00 2.68 N ATOM 1705 NH2 ARG A 429 6.771 15.144 5.296 1.00 3.43 N ATOM 0 H ARG A 429 -0.497 14.981 1.811 1.00 0.54 H new ATOM 0 HA ARG A 429 2.352 14.901 2.010 1.00 0.58 H new ATOM 0 HB2 ARG A 429 0.563 15.119 3.869 1.00 0.72 H new ATOM 0 HB3 ARG A 429 0.352 13.386 3.709 1.00 0.72 H new ATOM 0 HG2 ARG A 429 1.919 13.853 5.516 1.00 0.88 H new ATOM 0 HG3 ARG A 429 2.763 13.043 4.211 1.00 0.88 H new ATOM 0 HD2 ARG A 429 3.383 15.387 3.343 1.00 1.22 H new ATOM 0 HD3 ARG A 429 2.786 16.008 4.869 1.00 1.22 H new ATOM 0 HE ARG A 429 4.548 14.140 5.750 1.00 1.86 H new ATOM 0 HH11 ARG A 429 4.779 16.573 3.201 1.00 2.68 H new ATOM 0 HH12 ARG A 429 6.515 16.813 3.425 1.00 2.68 H new ATOM 0 HH21 ARG A 429 6.768 14.446 6.040 1.00 3.43 H new ATOM 0 HH22 ARG A 429 7.641 15.607 5.034 1.00 3.43 H new ATOM 1719 N LEU A 430 0.711 12.255 1.045 1.00 0.38 N ATOM 1720 CA LEU A 430 0.802 10.895 0.543 1.00 0.32 C ATOM 1721 C LEU A 430 1.494 10.869 -0.810 1.00 0.30 C ATOM 1722 O LEU A 430 2.359 10.030 -1.062 1.00 0.33 O ATOM 1723 CB LEU A 430 -0.596 10.307 0.428 1.00 0.31 C ATOM 1724 CG LEU A 430 -1.371 10.226 1.739 1.00 0.42 C ATOM 1725 CD1 LEU A 430 -2.793 9.748 1.488 1.00 0.70 C ATOM 1726 CD2 LEU A 430 -0.657 9.299 2.706 1.00 0.61 C ATOM 0 H LEU A 430 -0.222 12.661 0.970 1.00 0.38 H new ATOM 0 HA LEU A 430 1.392 10.298 1.238 1.00 0.32 H new ATOM 0 HB2 LEU A 430 -1.169 10.907 -0.279 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -0.519 9.305 0.006 1.00 0.31 H new ATOM 0 HG LEU A 430 -1.421 11.221 2.181 1.00 0.42 H new ATOM 0 HD11 LEU A 430 -3.332 9.696 2.434 1.00 0.70 H new ATOM 0 HD12 LEU A 430 -3.299 10.445 0.820 1.00 0.70 H new ATOM 0 HD13 LEU A 430 -2.769 8.759 1.029 1.00 0.70 H new ATOM 0 HD21 LEU A 430 -1.217 9.246 3.640 1.00 0.61 H new ATOM 0 HD22 LEU A 430 -0.585 8.303 2.269 1.00 0.61 H new ATOM 0 HD23 LEU A 430 0.344 9.681 2.904 1.00 0.61 H new ATOM 1738 N GLU A 431 1.103 11.804 -1.671 1.00 0.31 N ATOM 1739 CA GLU A 431 1.722 11.969 -2.981 1.00 0.35 C ATOM 1740 C GLU A 431 3.218 12.168 -2.826 1.00 0.39 C ATOM 1741 O GLU A 431 4.018 11.687 -3.629 1.00 0.44 O ATOM 1742 CB GLU A 431 1.112 13.171 -3.692 1.00 0.39 C ATOM 1743 CG GLU A 431 -0.367 13.014 -3.996 1.00 0.50 C ATOM 1744 CD GLU A 431 -1.021 14.315 -4.403 1.00 1.35 C ATOM 1745 OE1 GLU A 431 -0.511 14.984 -5.331 1.00 1.54 O ATOM 1746 OE2 GLU A 431 -2.058 14.675 -3.810 1.00 2.30 O ATOM 0 H GLU A 431 0.351 12.466 -1.481 1.00 0.31 H new ATOM 0 HA GLU A 431 1.543 11.072 -3.574 1.00 0.35 H new ATOM 0 HB2 GLU A 431 1.255 14.058 -3.075 1.00 0.39 H new ATOM 0 HB3 GLU A 431 1.650 13.342 -4.625 1.00 0.39 H new ATOM 0 HG2 GLU A 431 -0.494 12.283 -4.795 1.00 0.50 H new ATOM 0 HG3 GLU A 431 -0.874 12.617 -3.117 1.00 0.50 H new ATOM 1753 N HIS A 432 3.575 12.879 -1.771 1.00 0.39 N ATOM 1754 CA HIS A 432 4.962 13.142 -1.439 1.00 0.45 C ATOM 1755 C HIS A 432 5.577 11.941 -0.724 1.00 0.44 C ATOM 1756 O HIS A 432 6.752 11.625 -0.906 1.00 0.52 O ATOM 1757 CB HIS A 432 5.031 14.378 -0.554 1.00 0.50 C ATOM 1758 CG HIS A 432 6.415 14.919 -0.352 1.00 0.55 C ATOM 1759 ND1 HIS A 432 6.913 15.981 -1.069 1.00 0.87 N ATOM 1760 CD2 HIS A 432 7.401 14.550 0.498 1.00 0.70 C ATOM 1761 CE1 HIS A 432 8.141 16.243 -0.671 1.00 0.91 C ATOM 1762 NE2 HIS A 432 8.464 15.391 0.282 1.00 0.77 N ATOM 0 H HIS A 432 2.908 13.291 -1.119 1.00 0.39 H new ATOM 0 HA HIS A 432 5.529 13.315 -2.354 1.00 0.45 H new ATOM 0 HB2 HIS A 432 4.409 15.159 -0.992 1.00 0.50 H new ATOM 0 HB3 HIS A 432 4.602 14.138 0.419 1.00 0.50 H new ATOM 0 HD2 HIS A 432 7.359 13.743 1.214 1.00 0.70 H new ATOM 0 HE1 HIS A 432 8.777 17.025 -1.060 1.00 0.91 H new ATOM 0 HE2 HIS A 432 9.356 15.362 0.777 1.00 0.77 H new ATOM 1771 N LEU A 433 4.760 11.270 0.081 1.00 0.39 N ATOM 1772 CA LEU A 433 5.222 10.191 0.940 1.00 0.40 C ATOM 1773 C LEU A 433 5.624 8.970 0.140 1.00 0.36 C ATOM 1774 O LEU A 433 6.577 8.301 0.502 1.00 0.35 O ATOM 1775 CB LEU A 433 4.139 9.806 1.952 1.00 0.53 C ATOM 1776 CG LEU A 433 4.658 9.273 3.291 1.00 0.43 C ATOM 1777 CD1 LEU A 433 5.241 7.877 3.137 1.00 0.91 C ATOM 1778 CD2 LEU A 433 5.706 10.218 3.853 1.00 0.73 C ATOM 0 H LEU A 433 3.761 11.460 0.155 1.00 0.39 H new ATOM 0 HA LEU A 433 6.101 10.557 1.470 1.00 0.40 H new ATOM 0 HB2 LEU A 433 3.516 10.680 2.144 1.00 0.53 H new ATOM 0 HB3 LEU A 433 3.496 9.049 1.502 1.00 0.53 H new ATOM 0 HG LEU A 433 3.818 9.213 3.983 1.00 0.43 H new ATOM 0 HD11 LEU A 433 5.601 7.525 4.103 1.00 0.91 H new ATOM 0 HD12 LEU A 433 4.471 7.200 2.768 1.00 0.91 H new ATOM 0 HD13 LEU A 433 6.069 7.905 2.429 1.00 0.91 H new ATOM 0 HD21 LEU A 433 6.070 9.832 4.805 1.00 0.73 H new ATOM 0 HD22 LEU A 433 6.537 10.298 3.152 1.00 0.73 H new ATOM 0 HD23 LEU A 433 5.264 11.203 4.006 1.00 0.73 H new ATOM 1790 N GLU A 434 4.905 8.668 -0.930 1.00 0.40 N ATOM 1791 CA GLU A 434 5.203 7.475 -1.716 1.00 0.45 C ATOM 1792 C GLU A 434 6.657 7.431 -2.152 1.00 0.45 C ATOM 1793 O GLU A 434 7.254 6.372 -2.198 1.00 0.56 O ATOM 1794 CB GLU A 434 4.274 7.338 -2.910 1.00 0.66 C ATOM 1795 CG GLU A 434 2.876 6.908 -2.511 1.00 0.80 C ATOM 1796 CD GLU A 434 1.981 6.671 -3.705 1.00 1.20 C ATOM 1797 OE1 GLU A 434 1.666 7.644 -4.422 1.00 1.75 O ATOM 1798 OE2 GLU A 434 1.565 5.519 -3.918 1.00 1.47 O ATOM 0 H GLU A 434 4.121 9.222 -1.273 1.00 0.40 H new ATOM 0 HA GLU A 434 5.030 6.621 -1.062 1.00 0.45 H new ATOM 0 HB2 GLU A 434 4.221 8.291 -3.437 1.00 0.66 H new ATOM 0 HB3 GLU A 434 4.689 6.611 -3.608 1.00 0.66 H new ATOM 0 HG2 GLU A 434 2.935 5.995 -1.919 1.00 0.80 H new ATOM 0 HG3 GLU A 434 2.432 7.673 -1.874 1.00 0.80 H new ATOM 1805 N SER A 435 7.240 8.577 -2.426 1.00 0.46 N ATOM 1806 CA SER A 435 8.644 8.636 -2.717 1.00 0.53 C ATOM 1807 C SER A 435 9.471 8.333 -1.476 1.00 0.50 C ATOM 1808 O SER A 435 10.486 7.639 -1.535 1.00 0.58 O ATOM 1809 CB SER A 435 8.978 10.012 -3.203 1.00 0.62 C ATOM 1810 OG SER A 435 8.709 10.163 -4.586 1.00 1.01 O ATOM 0 H SER A 435 6.759 9.476 -2.452 1.00 0.46 H new ATOM 0 HA SER A 435 8.876 7.891 -3.478 1.00 0.53 H new ATOM 0 HB2 SER A 435 8.403 10.746 -2.639 1.00 0.62 H new ATOM 0 HB3 SER A 435 10.031 10.218 -3.013 1.00 0.62 H new ATOM 0 HG SER A 435 8.938 11.074 -4.866 1.00 1.01 H new ATOM 1816 N GLN A 436 8.992 8.845 -0.357 1.00 0.43 N ATOM 1817 CA GLN A 436 9.718 8.792 0.908 1.00 0.48 C ATOM 1818 C GLN A 436 9.680 7.400 1.517 1.00 0.45 C ATOM 1819 O GLN A 436 10.695 6.910 1.971 1.00 0.51 O ATOM 1820 CB GLN A 436 9.165 9.803 1.912 1.00 0.52 C ATOM 1821 CG GLN A 436 9.378 11.247 1.506 1.00 0.77 C ATOM 1822 CD GLN A 436 9.099 12.207 2.644 1.00 0.77 C ATOM 1823 OE1 GLN A 436 7.969 12.655 2.834 1.00 1.27 O ATOM 1824 NE2 GLN A 436 10.128 12.530 3.410 1.00 1.38 N ATOM 0 H GLN A 436 8.087 9.311 -0.295 1.00 0.43 H new ATOM 0 HA GLN A 436 10.754 9.047 0.684 1.00 0.48 H new ATOM 0 HB2 GLN A 436 8.097 9.625 2.042 1.00 0.52 H new ATOM 0 HB3 GLN A 436 9.636 9.634 2.880 1.00 0.52 H new ATOM 0 HG2 GLN A 436 10.405 11.379 1.164 1.00 0.77 H new ATOM 0 HG3 GLN A 436 8.729 11.486 0.664 1.00 0.77 H new ATOM 0 HE21 GLN A 436 11.049 12.136 3.219 1.00 1.38 H new ATOM 0 HE22 GLN A 436 10.000 13.173 4.192 1.00 1.38 H new ATOM 1833 N VAL A 437 8.512 6.770 1.530 1.00 0.38 N ATOM 1834 CA VAL A 437 8.387 5.410 2.059 1.00 0.38 C ATOM 1835 C VAL A 437 9.302 4.457 1.297 1.00 0.42 C ATOM 1836 O VAL A 437 9.919 3.559 1.874 1.00 0.49 O ATOM 1837 CB VAL A 437 6.921 4.904 2.013 1.00 0.33 C ATOM 1838 CG1 VAL A 437 6.217 5.335 0.743 1.00 0.31 C ATOM 1839 CG2 VAL A 437 6.864 3.395 2.134 1.00 0.38 C ATOM 0 H VAL A 437 7.641 7.172 1.184 1.00 0.38 H new ATOM 0 HA VAL A 437 8.692 5.436 3.105 1.00 0.38 H new ATOM 0 HB VAL A 437 6.406 5.353 2.862 1.00 0.33 H new ATOM 0 HG11 VAL A 437 5.193 4.961 0.750 1.00 0.31 H new ATOM 0 HG12 VAL A 437 6.205 6.423 0.685 1.00 0.31 H new ATOM 0 HG13 VAL A 437 6.745 4.931 -0.121 1.00 0.31 H new ATOM 0 HG21 VAL A 437 5.825 3.066 2.099 1.00 0.38 H new ATOM 0 HG22 VAL A 437 7.416 2.943 1.310 1.00 0.38 H new ATOM 0 HG23 VAL A 437 7.310 3.089 3.080 1.00 0.38 H new ATOM 1849 N LEU A 438 9.427 4.705 0.009 1.00 0.41 N ATOM 1850 CA LEU A 438 10.254 3.890 -0.860 1.00 0.48 C ATOM 1851 C LEU A 438 11.727 4.257 -0.696 1.00 0.55 C ATOM 1852 O LEU A 438 12.617 3.588 -1.218 1.00 0.62 O ATOM 1853 CB LEU A 438 9.797 4.101 -2.300 1.00 0.48 C ATOM 1854 CG LEU A 438 8.310 3.802 -2.529 1.00 0.47 C ATOM 1855 CD1 LEU A 438 7.909 4.057 -3.969 1.00 0.51 C ATOM 1856 CD2 LEU A 438 7.965 2.378 -2.120 1.00 0.54 C ATOM 0 H LEU A 438 8.959 5.477 -0.466 1.00 0.41 H new ATOM 0 HA LEU A 438 10.148 2.838 -0.595 1.00 0.48 H new ATOM 0 HB2 LEU A 438 9.999 5.133 -2.588 1.00 0.48 H new ATOM 0 HB3 LEU A 438 10.391 3.465 -2.956 1.00 0.48 H new ATOM 0 HG LEU A 438 7.741 4.484 -1.897 1.00 0.47 H new ATOM 0 HD11 LEU A 438 6.849 3.835 -4.096 1.00 0.51 H new ATOM 0 HD12 LEU A 438 8.094 5.102 -4.219 1.00 0.51 H new ATOM 0 HD13 LEU A 438 8.495 3.417 -4.629 1.00 0.51 H new ATOM 0 HD21 LEU A 438 6.904 2.196 -2.294 1.00 0.54 H new ATOM 0 HD22 LEU A 438 8.555 1.677 -2.710 1.00 0.54 H new ATOM 0 HD23 LEU A 438 8.188 2.239 -1.062 1.00 0.54 H new