USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 432 HIS : no HD1:sc= -0.0132 X(o=-0.032,f=-0.0085) USER MOD Set 1.2: A 436 GLN : amide:sc= -0.0189 K(o=-0.032,f=-1.1) USER MOD Single : A 340 TYR OH : rot 104:sc= -0.719 USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 343 GLN : amide:sc= -5.04! K(o=-5!,f=-0.64) USER MOD Single : A 346 SER OG : rot 176:sc= 0.00272 USER MOD Single : A 348 SER OG : rot 180:sc= 0.0688 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc= -1.29! K(o=-1.3!,f=-0.1) USER MOD Single : A 359 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 68:sc= 1.16 USER MOD Single : A 362 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.138) USER MOD Single : A 370 ASN : amide:sc= 0.139 K(o=0.14,f=-1.4) USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 379 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 380 LYS NZ :NH3+ 178:sc= 1.14 (180deg=0.973) USER MOD Single : A 381 ASN : amide:sc= -0.653 X(o=-0.65,f=-0.54) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 387 TYR OH : rot -106:sc= -0.329 USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 MET CE :methyl -159:sc= -5.5! (180deg=-6.35!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 396 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-2.3!) USER MOD Single : A 397 TYR OH : rot 18:sc= -3.3! USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 LYS NZ :NH3+ -168:sc= -0.0255 (180deg=-0.222) USER MOD Single : A 401 ASN : amide:sc= -0.894 K(o=-0.89,f=0) USER MOD Single : A 405 LYS NZ :NH3+ -132:sc= -1.02 (180deg=-2.21!) USER MOD Single : A 409 GLN : amide:sc= -3.02! K(o=-3!,f=-0.94) USER MOD Single : A 416 MET CE :methyl -159:sc= -0.139 (180deg=-0.814) USER MOD Single : A 417 LYS NZ :NH3+ -145:sc= -0.37 (180deg=-1.94!) USER MOD Single : A 418 THR OG1 : rot -57:sc= 0.64 USER MOD Single : A 423 MET CE :methyl 149:sc= -0.826 (180deg=-1.89!) USER MOD Single : A 424 SER OG : rot 180:sc= 0 USER MOD Single : A 427 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 336 -1.163 7.321 -5.892 1.00 1.08 N ATOM 81 CA LEU A 336 -0.856 6.833 -4.561 1.00 0.60 C ATOM 82 C LEU A 336 -1.019 5.322 -4.466 1.00 0.50 C ATOM 83 O LEU A 336 -1.163 4.627 -5.475 1.00 0.62 O ATOM 84 CB LEU A 336 -1.747 7.526 -3.520 1.00 0.36 C ATOM 85 CG LEU A 336 -1.544 9.041 -3.384 1.00 0.30 C ATOM 86 CD1 LEU A 336 -2.357 9.601 -2.234 1.00 0.25 C ATOM 87 CD2 LEU A 336 -0.083 9.371 -3.171 1.00 0.39 C ATOM 0 HA LEU A 336 0.188 7.070 -4.355 1.00 0.60 H new ATOM 0 HB2 LEU A 336 -2.790 7.338 -3.776 1.00 0.36 H new ATOM 0 HB3 LEU A 336 -1.569 7.064 -2.549 1.00 0.36 H new ATOM 0 HG LEU A 336 -1.884 9.499 -4.313 1.00 0.30 H new ATOM 0 HD11 LEU A 336 -2.193 10.676 -2.162 1.00 0.25 H new ATOM 0 HD12 LEU A 336 -3.415 9.406 -2.408 1.00 0.25 H new ATOM 0 HD13 LEU A 336 -2.048 9.124 -1.304 1.00 0.25 H new ATOM 0 HD21 LEU A 336 0.036 10.450 -3.077 1.00 0.39 H new ATOM 0 HD22 LEU A 336 0.270 8.887 -2.261 1.00 0.39 H new ATOM 0 HD23 LEU A 336 0.498 9.014 -4.021 1.00 0.39 H new ATOM 99 N LEU A 337 -0.935 4.816 -3.252 1.00 0.39 N ATOM 100 CA LEU A 337 -1.137 3.405 -2.987 1.00 0.30 C ATOM 101 C LEU A 337 -2.615 3.029 -3.060 1.00 0.26 C ATOM 102 O LEU A 337 -2.980 2.082 -3.762 1.00 0.25 O ATOM 103 CB LEU A 337 -0.530 3.055 -1.620 1.00 0.32 C ATOM 104 CG LEU A 337 -1.034 1.777 -0.942 1.00 0.31 C ATOM 105 CD1 LEU A 337 -0.690 0.546 -1.754 1.00 0.24 C ATOM 106 CD2 LEU A 337 -0.438 1.664 0.448 1.00 0.39 C ATOM 0 H LEU A 337 -0.725 5.370 -2.422 1.00 0.39 H new ATOM 0 HA LEU A 337 -0.631 2.822 -3.757 1.00 0.30 H new ATOM 0 HB2 LEU A 337 0.550 2.971 -1.740 1.00 0.32 H new ATOM 0 HB3 LEU A 337 -0.712 3.891 -0.945 1.00 0.32 H new ATOM 0 HG LEU A 337 -2.120 1.838 -0.871 1.00 0.31 H new ATOM 0 HD11 LEU A 337 -1.062 -0.342 -1.244 1.00 0.24 H new ATOM 0 HD12 LEU A 337 -1.152 0.619 -2.739 1.00 0.24 H new ATOM 0 HD13 LEU A 337 0.392 0.474 -1.865 1.00 0.24 H new ATOM 0 HD21 LEU A 337 -0.800 0.754 0.926 1.00 0.39 H new ATOM 0 HD22 LEU A 337 0.649 1.629 0.376 1.00 0.39 H new ATOM 0 HD23 LEU A 337 -0.735 2.528 1.042 1.00 0.39 H new ATOM 118 N TRP A 338 -3.467 3.785 -2.366 1.00 0.25 N ATOM 119 CA TRP A 338 -4.869 3.399 -2.216 1.00 0.24 C ATOM 120 C TRP A 338 -5.643 3.365 -3.537 1.00 0.24 C ATOM 121 O TRP A 338 -6.596 2.601 -3.659 1.00 0.24 O ATOM 122 CB TRP A 338 -5.602 4.266 -1.178 1.00 0.24 C ATOM 123 CG TRP A 338 -5.349 5.739 -1.290 1.00 0.21 C ATOM 124 CD1 TRP A 338 -4.610 6.499 -0.437 1.00 0.20 C ATOM 125 CD2 TRP A 338 -5.838 6.632 -2.294 1.00 0.22 C ATOM 126 NE1 TRP A 338 -4.601 7.800 -0.851 1.00 0.17 N ATOM 127 CE2 TRP A 338 -5.343 7.908 -1.991 1.00 0.19 C ATOM 128 CE3 TRP A 338 -6.638 6.476 -3.418 1.00 0.28 C ATOM 129 CZ2 TRP A 338 -5.620 9.018 -2.777 1.00 0.22 C ATOM 130 CZ3 TRP A 338 -6.912 7.580 -4.198 1.00 0.31 C ATOM 131 CH2 TRP A 338 -6.404 8.838 -3.874 1.00 0.28 C ATOM 0 H TRP A 338 -3.214 4.658 -1.904 1.00 0.25 H new ATOM 0 HA TRP A 338 -4.840 2.374 -1.846 1.00 0.24 H new ATOM 0 HB2 TRP A 338 -6.673 4.089 -1.271 1.00 0.24 H new ATOM 0 HB3 TRP A 338 -5.309 3.937 -0.181 1.00 0.24 H new ATOM 0 HD1 TRP A 338 -4.103 6.127 0.441 1.00 0.20 H new ATOM 0 HE1 TRP A 338 -4.118 8.567 -0.384 1.00 0.17 H new ATOM 0 HE3 TRP A 338 -7.039 5.507 -3.677 1.00 0.28 H new ATOM 0 HZ2 TRP A 338 -5.226 9.992 -2.526 1.00 0.22 H new ATOM 0 HZ3 TRP A 338 -7.531 7.468 -5.076 1.00 0.31 H new ATOM 0 HH2 TRP A 338 -6.637 9.683 -4.505 1.00 0.28 H new ATOM 142 N ASP A 339 -5.249 4.160 -4.529 1.00 0.25 N ATOM 143 CA ASP A 339 -5.988 4.169 -5.791 1.00 0.27 C ATOM 144 C ASP A 339 -5.539 3.017 -6.675 1.00 0.26 C ATOM 145 O ASP A 339 -6.289 2.550 -7.532 1.00 0.33 O ATOM 146 CB ASP A 339 -5.907 5.526 -6.523 1.00 0.36 C ATOM 147 CG ASP A 339 -4.559 5.859 -7.127 1.00 1.00 C ATOM 148 OD1 ASP A 339 -3.590 6.027 -6.368 1.00 1.80 O ATOM 149 OD2 ASP A 339 -4.489 6.021 -8.367 1.00 1.19 O ATOM 0 H ASP A 339 -4.447 4.789 -4.489 1.00 0.25 H new ATOM 0 HA ASP A 339 -7.042 4.027 -5.553 1.00 0.27 H new ATOM 0 HB2 ASP A 339 -6.654 5.537 -7.316 1.00 0.36 H new ATOM 0 HB3 ASP A 339 -6.176 6.315 -5.821 1.00 0.36 H new ATOM 154 N TYR A 340 -4.316 2.551 -6.458 1.00 0.22 N ATOM 155 CA TYR A 340 -3.839 1.350 -7.123 1.00 0.20 C ATOM 156 C TYR A 340 -4.484 0.103 -6.516 1.00 0.17 C ATOM 157 O TYR A 340 -5.032 -0.735 -7.232 1.00 0.17 O ATOM 158 CB TYR A 340 -2.318 1.240 -7.032 1.00 0.21 C ATOM 159 CG TYR A 340 -1.784 0.004 -7.711 1.00 0.20 C ATOM 160 CD1 TYR A 340 -1.682 -0.061 -9.092 1.00 0.26 C ATOM 161 CD2 TYR A 340 -1.399 -1.103 -6.969 1.00 0.17 C ATOM 162 CE1 TYR A 340 -1.209 -1.197 -9.719 1.00 0.28 C ATOM 163 CE2 TYR A 340 -0.924 -2.241 -7.587 1.00 0.18 C ATOM 164 CZ TYR A 340 -0.833 -2.284 -8.962 1.00 0.24 C ATOM 165 OH TYR A 340 -0.367 -3.421 -9.582 1.00 0.28 O ATOM 0 H TYR A 340 -3.640 2.985 -5.829 1.00 0.22 H new ATOM 0 HA TYR A 340 -4.121 1.420 -8.173 1.00 0.20 H new ATOM 0 HB2 TYR A 340 -1.866 2.123 -7.485 1.00 0.21 H new ATOM 0 HB3 TYR A 340 -2.020 1.231 -5.984 1.00 0.21 H new ATOM 0 HD1 TYR A 340 -1.977 0.790 -9.687 1.00 0.26 H new ATOM 0 HD2 TYR A 340 -1.472 -1.073 -5.892 1.00 0.17 H new ATOM 0 HE1 TYR A 340 -1.135 -1.233 -10.796 1.00 0.28 H new ATOM 0 HE2 TYR A 340 -0.625 -3.094 -6.997 1.00 0.18 H new ATOM 0 HH TYR A 340 0.607 -3.468 -9.489 1.00 0.28 H new ATOM 175 N VAL A 341 -4.411 -0.018 -5.190 1.00 0.17 N ATOM 176 CA VAL A 341 -4.965 -1.178 -4.485 1.00 0.15 C ATOM 177 C VAL A 341 -6.476 -1.282 -4.690 1.00 0.15 C ATOM 178 O VAL A 341 -7.012 -2.372 -4.897 1.00 0.15 O ATOM 179 CB VAL A 341 -4.629 -1.136 -2.971 1.00 0.16 C ATOM 180 CG1 VAL A 341 -4.971 0.213 -2.372 1.00 0.18 C ATOM 181 CG2 VAL A 341 -5.358 -2.236 -2.211 1.00 0.15 C ATOM 0 H VAL A 341 -3.973 0.673 -4.581 1.00 0.17 H new ATOM 0 HA VAL A 341 -4.499 -2.066 -4.912 1.00 0.15 H new ATOM 0 HB VAL A 341 -3.556 -1.300 -2.876 1.00 0.16 H new ATOM 0 HG11 VAL A 341 -4.725 0.213 -1.310 1.00 0.18 H new ATOM 0 HG12 VAL A 341 -4.398 0.991 -2.877 1.00 0.18 H new ATOM 0 HG13 VAL A 341 -6.036 0.407 -2.497 1.00 0.18 H new ATOM 0 HG21 VAL A 341 -5.101 -2.179 -1.153 1.00 0.15 H new ATOM 0 HG22 VAL A 341 -6.434 -2.109 -2.330 1.00 0.15 H new ATOM 0 HG23 VAL A 341 -5.061 -3.208 -2.605 1.00 0.15 H new ATOM 191 N TYR A 342 -7.151 -0.143 -4.656 1.00 0.17 N ATOM 192 CA TYR A 342 -8.585 -0.085 -4.905 1.00 0.17 C ATOM 193 C TYR A 342 -8.896 -0.581 -6.318 1.00 0.17 C ATOM 194 O TYR A 342 -9.952 -1.158 -6.572 1.00 0.18 O ATOM 195 CB TYR A 342 -9.081 1.351 -4.706 1.00 0.20 C ATOM 196 CG TYR A 342 -10.585 1.507 -4.687 1.00 0.31 C ATOM 197 CD1 TYR A 342 -11.326 1.136 -3.571 1.00 0.48 C ATOM 198 CD2 TYR A 342 -11.263 2.039 -5.777 1.00 0.44 C ATOM 199 CE1 TYR A 342 -12.697 1.287 -3.545 1.00 0.67 C ATOM 200 CE2 TYR A 342 -12.633 2.195 -5.756 1.00 0.62 C ATOM 201 CZ TYR A 342 -13.347 1.819 -4.640 1.00 0.71 C ATOM 202 OH TYR A 342 -14.714 1.975 -4.616 1.00 0.92 O ATOM 0 H TYR A 342 -6.725 0.762 -4.457 1.00 0.17 H new ATOM 0 HA TYR A 342 -9.103 -0.734 -4.199 1.00 0.17 H new ATOM 0 HB2 TYR A 342 -8.679 1.732 -3.767 1.00 0.20 H new ATOM 0 HB3 TYR A 342 -8.675 1.974 -5.503 1.00 0.20 H new ATOM 0 HD1 TYR A 342 -10.820 0.723 -2.711 1.00 0.48 H new ATOM 0 HD2 TYR A 342 -10.708 2.335 -6.655 1.00 0.44 H new ATOM 0 HE1 TYR A 342 -13.259 0.990 -2.672 1.00 0.67 H new ATOM 0 HE2 TYR A 342 -13.144 2.611 -6.612 1.00 0.62 H new ATOM 0 HH TYR A 342 -15.014 2.364 -5.464 1.00 0.92 H new ATOM 212 N GLN A 343 -7.956 -0.357 -7.232 1.00 0.18 N ATOM 213 CA GLN A 343 -8.096 -0.801 -8.615 1.00 0.19 C ATOM 214 C GLN A 343 -7.867 -2.312 -8.735 1.00 0.18 C ATOM 215 O GLN A 343 -8.411 -2.961 -9.629 1.00 0.23 O ATOM 216 CB GLN A 343 -7.119 -0.034 -9.517 1.00 0.26 C ATOM 217 CG GLN A 343 -7.133 -0.465 -10.980 1.00 0.71 C ATOM 218 CD GLN A 343 -8.356 0.002 -11.756 1.00 1.41 C ATOM 219 OE1 GLN A 343 -8.277 0.221 -12.962 1.00 2.07 O ATOM 220 NE2 GLN A 343 -9.490 0.159 -11.089 1.00 2.22 N ATOM 0 H GLN A 343 -7.083 0.133 -7.037 1.00 0.18 H new ATOM 0 HA GLN A 343 -9.115 -0.591 -8.941 1.00 0.19 H new ATOM 0 HB2 GLN A 343 -7.354 1.029 -9.463 1.00 0.26 H new ATOM 0 HB3 GLN A 343 -6.110 -0.158 -9.125 1.00 0.26 H new ATOM 0 HG2 GLN A 343 -6.238 -0.081 -11.469 1.00 0.71 H new ATOM 0 HG3 GLN A 343 -7.080 -1.553 -11.027 1.00 0.71 H new ATOM 0 HE21 GLN A 343 -9.523 -0.031 -10.087 1.00 2.22 H new ATOM 0 HE22 GLN A 343 -10.330 0.470 -11.577 1.00 2.22 H new ATOM 229 N LEU A 344 -7.064 -2.874 -7.834 1.00 0.16 N ATOM 230 CA LEU A 344 -6.811 -4.309 -7.833 1.00 0.15 C ATOM 231 C LEU A 344 -8.062 -5.043 -7.383 1.00 0.17 C ATOM 232 O LEU A 344 -8.375 -6.131 -7.865 1.00 0.24 O ATOM 233 CB LEU A 344 -5.656 -4.660 -6.893 1.00 0.15 C ATOM 234 CG LEU A 344 -4.303 -4.034 -7.225 1.00 0.12 C ATOM 235 CD1 LEU A 344 -3.287 -4.415 -6.167 1.00 0.13 C ATOM 236 CD2 LEU A 344 -3.826 -4.477 -8.599 1.00 0.19 C ATOM 0 H LEU A 344 -6.580 -2.358 -7.099 1.00 0.16 H new ATOM 0 HA LEU A 344 -6.541 -4.612 -8.845 1.00 0.15 H new ATOM 0 HB2 LEU A 344 -5.933 -4.360 -5.882 1.00 0.15 H new ATOM 0 HB3 LEU A 344 -5.539 -5.744 -6.883 1.00 0.15 H new ATOM 0 HG LEU A 344 -4.415 -2.950 -7.238 1.00 0.12 H new ATOM 0 HD11 LEU A 344 -2.324 -3.966 -6.409 1.00 0.13 H new ATOM 0 HD12 LEU A 344 -3.622 -4.054 -5.194 1.00 0.13 H new ATOM 0 HD13 LEU A 344 -3.184 -5.500 -6.136 1.00 0.13 H new ATOM 0 HD21 LEU A 344 -2.861 -4.019 -8.814 1.00 0.19 H new ATOM 0 HD22 LEU A 344 -3.725 -5.562 -8.617 1.00 0.19 H new ATOM 0 HD23 LEU A 344 -4.550 -4.168 -9.353 1.00 0.19 H new ATOM 248 N LEU A 345 -8.775 -4.406 -6.464 1.00 0.18 N ATOM 249 CA LEU A 345 -9.979 -4.964 -5.870 1.00 0.20 C ATOM 250 C LEU A 345 -11.086 -5.184 -6.896 1.00 0.25 C ATOM 251 O LEU A 345 -11.982 -6.004 -6.690 1.00 0.36 O ATOM 252 CB LEU A 345 -10.473 -4.032 -4.766 1.00 0.17 C ATOM 253 CG LEU A 345 -9.580 -3.983 -3.533 1.00 0.15 C ATOM 254 CD1 LEU A 345 -9.966 -2.837 -2.615 1.00 0.16 C ATOM 255 CD2 LEU A 345 -9.652 -5.300 -2.786 1.00 0.15 C ATOM 0 H LEU A 345 -8.531 -3.482 -6.108 1.00 0.18 H new ATOM 0 HA LEU A 345 -9.725 -5.941 -5.458 1.00 0.20 H new ATOM 0 HB2 LEU A 345 -10.565 -3.025 -5.173 1.00 0.17 H new ATOM 0 HB3 LEU A 345 -11.472 -4.346 -4.463 1.00 0.17 H new ATOM 0 HG LEU A 345 -8.556 -3.814 -3.865 1.00 0.15 H new ATOM 0 HD11 LEU A 345 -9.309 -2.831 -1.745 1.00 0.16 H new ATOM 0 HD12 LEU A 345 -9.868 -1.893 -3.151 1.00 0.16 H new ATOM 0 HD13 LEU A 345 -10.998 -2.964 -2.289 1.00 0.16 H new ATOM 0 HD21 LEU A 345 -9.010 -5.255 -1.906 1.00 0.15 H new ATOM 0 HD22 LEU A 345 -10.680 -5.487 -2.476 1.00 0.15 H new ATOM 0 HD23 LEU A 345 -9.318 -6.107 -3.438 1.00 0.15 H new ATOM 267 N SER A 346 -11.037 -4.452 -7.994 1.00 0.28 N ATOM 268 CA SER A 346 -12.080 -4.546 -8.996 1.00 0.35 C ATOM 269 C SER A 346 -11.670 -5.455 -10.152 1.00 0.36 C ATOM 270 O SER A 346 -12.347 -5.509 -11.180 1.00 0.54 O ATOM 271 CB SER A 346 -12.443 -3.148 -9.498 1.00 0.46 C ATOM 272 OG SER A 346 -11.287 -2.417 -9.865 1.00 1.06 O ATOM 0 H SER A 346 -10.292 -3.791 -8.213 1.00 0.28 H new ATOM 0 HA SER A 346 -12.959 -4.995 -8.534 1.00 0.35 H new ATOM 0 HB2 SER A 346 -13.112 -3.229 -10.355 1.00 0.46 H new ATOM 0 HB3 SER A 346 -12.985 -2.609 -8.721 1.00 0.46 H new ATOM 0 HG SER A 346 -11.553 -1.556 -10.250 1.00 1.06 H new ATOM 278 N ASP A 347 -10.582 -6.191 -9.975 1.00 0.32 N ATOM 279 CA ASP A 347 -10.100 -7.073 -11.027 1.00 0.34 C ATOM 280 C ASP A 347 -9.926 -8.493 -10.499 1.00 0.34 C ATOM 281 O ASP A 347 -9.277 -8.714 -9.478 1.00 0.43 O ATOM 282 CB ASP A 347 -8.779 -6.558 -11.595 1.00 0.41 C ATOM 283 CG ASP A 347 -8.468 -7.145 -12.957 1.00 0.80 C ATOM 284 OD1 ASP A 347 -8.920 -8.273 -13.243 1.00 0.99 O ATOM 285 OD2 ASP A 347 -7.770 -6.480 -13.750 1.00 1.18 O ATOM 0 H ASP A 347 -10.022 -6.195 -9.123 1.00 0.32 H new ATOM 0 HA ASP A 347 -10.842 -7.087 -11.826 1.00 0.34 H new ATOM 0 HB2 ASP A 347 -8.818 -5.471 -11.671 1.00 0.41 H new ATOM 0 HB3 ASP A 347 -7.971 -6.800 -10.905 1.00 0.41 H new ATOM 290 N SER A 348 -10.501 -9.450 -11.215 1.00 0.40 N ATOM 291 CA SER A 348 -10.502 -10.839 -10.796 1.00 0.43 C ATOM 292 C SER A 348 -9.142 -11.512 -10.990 1.00 0.35 C ATOM 293 O SER A 348 -8.924 -12.617 -10.491 1.00 0.40 O ATOM 294 CB SER A 348 -11.584 -11.590 -11.560 1.00 0.59 C ATOM 295 OG SER A 348 -11.618 -11.185 -12.919 1.00 0.79 O ATOM 0 H SER A 348 -10.978 -9.282 -12.101 1.00 0.40 H new ATOM 0 HA SER A 348 -10.711 -10.867 -9.727 1.00 0.43 H new ATOM 0 HB2 SER A 348 -11.399 -12.663 -11.501 1.00 0.59 H new ATOM 0 HB3 SER A 348 -12.554 -11.408 -11.098 1.00 0.59 H new ATOM 0 HG SER A 348 -12.319 -11.681 -13.391 1.00 0.79 H new ATOM 301 N ARG A 349 -8.233 -10.860 -11.720 1.00 0.34 N ATOM 302 CA ARG A 349 -6.883 -11.379 -11.890 1.00 0.37 C ATOM 303 C ARG A 349 -6.235 -11.581 -10.539 1.00 0.31 C ATOM 304 O ARG A 349 -5.731 -12.655 -10.209 1.00 0.42 O ATOM 305 CB ARG A 349 -6.028 -10.398 -12.665 1.00 0.45 C ATOM 306 CG ARG A 349 -6.612 -9.980 -13.988 1.00 0.71 C ATOM 307 CD ARG A 349 -5.594 -9.207 -14.785 1.00 1.07 C ATOM 308 NE ARG A 349 -6.069 -8.877 -16.127 1.00 1.86 N ATOM 309 CZ ARG A 349 -5.487 -7.981 -16.923 1.00 2.54 C ATOM 310 NH1 ARG A 349 -4.369 -7.372 -16.545 1.00 2.75 N ATOM 311 NH2 ARG A 349 -6.014 -7.705 -18.108 1.00 3.43 N ATOM 0 H ARG A 349 -8.411 -9.977 -12.198 1.00 0.34 H new ATOM 0 HA ARG A 349 -6.955 -12.323 -12.431 1.00 0.37 H new ATOM 0 HB2 ARG A 349 -5.870 -9.510 -12.054 1.00 0.45 H new ATOM 0 HB3 ARG A 349 -5.049 -10.845 -12.838 1.00 0.45 H new ATOM 0 HG2 ARG A 349 -6.931 -10.860 -14.547 1.00 0.71 H new ATOM 0 HG3 ARG A 349 -7.499 -9.367 -13.825 1.00 0.71 H new ATOM 0 HD2 ARG A 349 -5.344 -8.288 -14.255 1.00 1.07 H new ATOM 0 HD3 ARG A 349 -4.677 -9.791 -14.861 1.00 1.07 H new ATOM 0 HE ARG A 349 -6.896 -9.362 -16.475 1.00 1.86 H new ATOM 0 HH11 ARG A 349 -3.951 -7.589 -15.640 1.00 2.75 H new ATOM 0 HH12 ARG A 349 -3.929 -6.687 -17.159 1.00 2.75 H new ATOM 0 HH21 ARG A 349 -6.865 -8.179 -18.410 1.00 3.43 H new ATOM 0 HH22 ARG A 349 -5.568 -7.019 -18.717 1.00 3.43 H new ATOM 325 N TYR A 350 -6.276 -10.522 -9.760 1.00 0.26 N ATOM 326 CA TYR A 350 -5.578 -10.463 -8.496 1.00 0.30 C ATOM 327 C TYR A 350 -6.379 -11.078 -7.356 1.00 0.24 C ATOM 328 O TYR A 350 -6.157 -10.730 -6.208 1.00 0.25 O ATOM 329 CB TYR A 350 -5.258 -9.007 -8.169 1.00 0.40 C ATOM 330 CG TYR A 350 -4.794 -8.230 -9.374 1.00 0.47 C ATOM 331 CD1 TYR A 350 -3.504 -8.368 -9.857 1.00 0.54 C ATOM 332 CD2 TYR A 350 -5.661 -7.378 -10.044 1.00 0.52 C ATOM 333 CE1 TYR A 350 -3.087 -7.672 -10.974 1.00 0.61 C ATOM 334 CE2 TYR A 350 -5.251 -6.681 -11.163 1.00 0.60 C ATOM 335 CZ TYR A 350 -3.962 -6.830 -11.624 1.00 0.63 C ATOM 336 OH TYR A 350 -3.545 -6.135 -12.738 1.00 0.72 O ATOM 0 H TYR A 350 -6.797 -9.675 -9.987 1.00 0.26 H new ATOM 0 HA TYR A 350 -4.663 -11.046 -8.597 1.00 0.30 H new ATOM 0 HB2 TYR A 350 -6.145 -8.529 -7.753 1.00 0.40 H new ATOM 0 HB3 TYR A 350 -4.486 -8.972 -7.400 1.00 0.40 H new ATOM 0 HD1 TYR A 350 -2.814 -9.029 -9.353 1.00 0.54 H new ATOM 0 HD2 TYR A 350 -6.672 -7.258 -9.684 1.00 0.52 H new ATOM 0 HE1 TYR A 350 -2.077 -7.788 -11.337 1.00 0.61 H new ATOM 0 HE2 TYR A 350 -5.938 -6.022 -11.674 1.00 0.60 H new ATOM 0 HH TYR A 350 -4.283 -5.587 -13.077 1.00 0.72 H new ATOM 346 N GLU A 351 -7.296 -11.995 -7.654 1.00 0.22 N ATOM 347 CA GLU A 351 -8.102 -12.620 -6.603 1.00 0.23 C ATOM 348 C GLU A 351 -7.216 -13.356 -5.591 1.00 0.21 C ATOM 349 O GLU A 351 -7.580 -13.511 -4.425 1.00 0.25 O ATOM 350 CB GLU A 351 -9.126 -13.592 -7.194 1.00 0.31 C ATOM 351 CG GLU A 351 -8.504 -14.785 -7.897 1.00 0.36 C ATOM 352 CD GLU A 351 -9.495 -15.908 -8.109 1.00 0.97 C ATOM 353 OE1 GLU A 351 -9.986 -16.465 -7.106 1.00 1.45 O ATOM 354 OE2 GLU A 351 -9.779 -16.246 -9.275 1.00 1.22 O ATOM 0 H GLU A 351 -7.500 -12.320 -8.599 1.00 0.22 H new ATOM 0 HA GLU A 351 -8.635 -11.821 -6.088 1.00 0.23 H new ATOM 0 HB2 GLU A 351 -9.775 -13.951 -6.395 1.00 0.31 H new ATOM 0 HB3 GLU A 351 -9.758 -13.054 -7.901 1.00 0.31 H new ATOM 0 HG2 GLU A 351 -8.105 -14.469 -8.861 1.00 0.36 H new ATOM 0 HG3 GLU A 351 -7.663 -15.152 -7.309 1.00 0.36 H new ATOM 361 N ASN A 352 -6.055 -13.812 -6.051 1.00 0.22 N ATOM 362 CA ASN A 352 -5.105 -14.502 -5.184 1.00 0.24 C ATOM 363 C ASN A 352 -4.132 -13.503 -4.562 1.00 0.19 C ATOM 364 O ASN A 352 -3.253 -13.869 -3.788 1.00 0.21 O ATOM 365 CB ASN A 352 -4.334 -15.573 -5.962 1.00 0.32 C ATOM 366 CG ASN A 352 -3.657 -16.577 -5.047 1.00 0.62 C ATOM 367 OD1 ASN A 352 -2.539 -17.023 -5.310 1.00 1.06 O ATOM 368 ND2 ASN A 352 -4.349 -16.975 -3.993 1.00 1.06 N ATOM 0 H ASN A 352 -5.749 -13.716 -7.019 1.00 0.22 H new ATOM 0 HA ASN A 352 -5.666 -14.992 -4.388 1.00 0.24 H new ATOM 0 HB2 ASN A 352 -5.018 -16.097 -6.629 1.00 0.32 H new ATOM 0 HB3 ASN A 352 -3.583 -15.093 -6.589 1.00 0.32 H new ATOM 0 HD21 ASN A 352 -3.960 -17.676 -3.363 1.00 1.06 H new ATOM 0 HD22 ASN A 352 -5.272 -16.581 -3.810 1.00 1.06 H new ATOM 375 N PHE A 353 -4.293 -12.240 -4.920 1.00 0.16 N ATOM 376 CA PHE A 353 -3.462 -11.175 -4.376 1.00 0.14 C ATOM 377 C PHE A 353 -4.270 -10.332 -3.399 1.00 0.12 C ATOM 378 O PHE A 353 -3.818 -10.038 -2.295 1.00 0.11 O ATOM 379 CB PHE A 353 -2.921 -10.283 -5.498 1.00 0.16 C ATOM 380 CG PHE A 353 -1.955 -10.967 -6.422 1.00 0.19 C ATOM 381 CD1 PHE A 353 -2.405 -11.788 -7.444 1.00 0.30 C ATOM 382 CD2 PHE A 353 -0.593 -10.776 -6.272 1.00 0.21 C ATOM 383 CE1 PHE A 353 -1.514 -12.406 -8.297 1.00 0.34 C ATOM 384 CE2 PHE A 353 0.304 -11.389 -7.123 1.00 0.25 C ATOM 385 CZ PHE A 353 -0.157 -12.207 -8.137 1.00 0.29 C ATOM 0 H PHE A 353 -4.995 -11.924 -5.589 1.00 0.16 H new ATOM 0 HA PHE A 353 -2.620 -11.630 -3.854 1.00 0.14 H new ATOM 0 HB2 PHE A 353 -3.760 -9.906 -6.083 1.00 0.16 H new ATOM 0 HB3 PHE A 353 -2.429 -9.418 -5.053 1.00 0.16 H new ATOM 0 HD1 PHE A 353 -3.465 -11.946 -7.574 1.00 0.30 H new ATOM 0 HD2 PHE A 353 -0.227 -10.140 -5.480 1.00 0.21 H new ATOM 0 HE1 PHE A 353 -1.877 -13.044 -9.089 1.00 0.34 H new ATOM 0 HE2 PHE A 353 1.365 -11.230 -6.997 1.00 0.25 H new ATOM 0 HZ PHE A 353 0.543 -12.690 -8.803 1.00 0.29 H new ATOM 395 N ILE A 354 -5.463 -9.938 -3.823 1.00 0.11 N ATOM 396 CA ILE A 354 -6.349 -9.127 -3.007 1.00 0.11 C ATOM 397 C ILE A 354 -7.799 -9.281 -3.480 1.00 0.12 C ATOM 398 O ILE A 354 -8.055 -9.381 -4.678 1.00 0.16 O ATOM 399 CB ILE A 354 -5.920 -7.651 -3.066 1.00 0.11 C ATOM 400 CG1 ILE A 354 -6.699 -6.830 -2.051 1.00 0.12 C ATOM 401 CG2 ILE A 354 -6.103 -7.087 -4.470 1.00 0.13 C ATOM 402 CD1 ILE A 354 -6.116 -5.462 -1.829 1.00 0.12 C ATOM 0 H ILE A 354 -5.841 -10.172 -4.741 1.00 0.11 H new ATOM 0 HA ILE A 354 -6.284 -9.469 -1.974 1.00 0.11 H new ATOM 0 HB ILE A 354 -4.861 -7.594 -2.816 1.00 0.11 H new ATOM 0 HG12 ILE A 354 -7.730 -6.729 -2.389 1.00 0.12 H new ATOM 0 HG13 ILE A 354 -6.725 -7.366 -1.102 1.00 0.12 H new ATOM 0 HG21 ILE A 354 -5.793 -6.042 -4.486 1.00 0.13 H new ATOM 0 HG22 ILE A 354 -5.495 -7.657 -5.173 1.00 0.13 H new ATOM 0 HG23 ILE A 354 -7.152 -7.158 -4.757 1.00 0.13 H new ATOM 0 HD11 ILE A 354 -6.716 -4.925 -1.094 1.00 0.12 H new ATOM 0 HD12 ILE A 354 -5.094 -5.557 -1.463 1.00 0.12 H new ATOM 0 HD13 ILE A 354 -6.114 -4.910 -2.769 1.00 0.12 H new ATOM 414 N ARG A 355 -8.744 -9.338 -2.550 1.00 0.12 N ATOM 415 CA ARG A 355 -10.147 -9.452 -2.922 1.00 0.14 C ATOM 416 C ARG A 355 -11.079 -8.918 -1.835 1.00 0.14 C ATOM 417 O ARG A 355 -10.755 -8.943 -0.647 1.00 0.15 O ATOM 418 CB ARG A 355 -10.487 -10.903 -3.271 1.00 0.18 C ATOM 419 CG ARG A 355 -10.154 -11.908 -2.182 1.00 0.24 C ATOM 420 CD ARG A 355 -10.309 -13.330 -2.692 1.00 0.40 C ATOM 421 NE ARG A 355 -9.856 -14.323 -1.724 1.00 0.90 N ATOM 422 CZ ARG A 355 -10.638 -15.269 -1.210 1.00 1.53 C ATOM 423 NH1 ARG A 355 -11.929 -15.315 -1.518 1.00 1.59 N ATOM 424 NH2 ARG A 355 -10.128 -16.165 -0.380 1.00 2.39 N ATOM 0 H ARG A 355 -8.568 -9.308 -1.546 1.00 0.12 H new ATOM 0 HA ARG A 355 -10.304 -8.831 -3.804 1.00 0.14 H new ATOM 0 HB2 ARG A 355 -11.552 -10.969 -3.496 1.00 0.18 H new ATOM 0 HB3 ARG A 355 -9.952 -11.180 -4.179 1.00 0.18 H new ATOM 0 HG2 ARG A 355 -9.132 -11.751 -1.836 1.00 0.24 H new ATOM 0 HG3 ARG A 355 -10.808 -11.751 -1.324 1.00 0.24 H new ATOM 0 HD2 ARG A 355 -11.356 -13.514 -2.933 1.00 0.40 H new ATOM 0 HD3 ARG A 355 -9.744 -13.445 -3.617 1.00 0.40 H new ATOM 0 HE ARG A 355 -8.882 -14.290 -1.423 1.00 0.90 H new ATOM 0 HH11 ARG A 355 -12.327 -14.622 -2.152 1.00 1.59 H new ATOM 0 HH12 ARG A 355 -12.523 -16.043 -1.120 1.00 1.59 H new ATOM 0 HH21 ARG A 355 -9.138 -16.129 -0.136 1.00 2.39 H new ATOM 0 HH22 ARG A 355 -10.725 -16.891 0.016 1.00 2.39 H new ATOM 438 N TRP A 356 -12.227 -8.414 -2.276 1.00 0.15 N ATOM 439 CA TRP A 356 -13.264 -7.896 -1.388 1.00 0.16 C ATOM 440 C TRP A 356 -13.871 -8.994 -0.524 1.00 0.18 C ATOM 441 O TRP A 356 -14.356 -10.000 -1.038 1.00 0.25 O ATOM 442 CB TRP A 356 -14.391 -7.268 -2.209 1.00 0.18 C ATOM 443 CG TRP A 356 -14.037 -5.968 -2.846 1.00 0.18 C ATOM 444 CD1 TRP A 356 -13.867 -5.718 -4.174 1.00 0.21 C ATOM 445 CD2 TRP A 356 -13.825 -4.732 -2.172 1.00 0.16 C ATOM 446 NE1 TRP A 356 -13.569 -4.392 -4.362 1.00 0.22 N ATOM 447 CE2 TRP A 356 -13.540 -3.767 -3.144 1.00 0.19 C ATOM 448 CE3 TRP A 356 -13.852 -4.350 -0.839 1.00 0.15 C ATOM 449 CZ2 TRP A 356 -13.290 -2.442 -2.818 1.00 0.21 C ATOM 450 CZ3 TRP A 356 -13.597 -3.040 -0.514 1.00 0.17 C ATOM 451 CH2 TRP A 356 -13.319 -2.094 -1.501 1.00 0.20 C ATOM 0 H TRP A 356 -12.466 -8.353 -3.266 1.00 0.15 H new ATOM 0 HA TRP A 356 -12.790 -7.155 -0.744 1.00 0.16 H new ATOM 0 HB2 TRP A 356 -14.692 -7.970 -2.987 1.00 0.18 H new ATOM 0 HB3 TRP A 356 -15.256 -7.118 -1.562 1.00 0.18 H new ATOM 0 HD1 TRP A 356 -13.954 -6.453 -4.961 1.00 0.21 H new ATOM 0 HE1 TRP A 356 -13.397 -3.945 -5.262 1.00 0.22 H new ATOM 0 HE3 TRP A 356 -14.071 -5.073 -0.067 1.00 0.15 H new ATOM 0 HZ2 TRP A 356 -13.079 -1.710 -3.583 1.00 0.21 H new ATOM 0 HZ3 TRP A 356 -13.612 -2.737 0.523 1.00 0.17 H new ATOM 0 HH2 TRP A 356 -13.124 -1.070 -1.217 1.00 0.20 H new ATOM 462 N GLU A 357 -13.866 -8.782 0.783 1.00 0.18 N ATOM 463 CA GLU A 357 -14.559 -9.670 1.706 1.00 0.22 C ATOM 464 C GLU A 357 -16.001 -9.218 1.854 1.00 0.22 C ATOM 465 O GLU A 357 -16.929 -10.028 1.926 1.00 0.31 O ATOM 466 CB GLU A 357 -13.866 -9.662 3.059 1.00 0.25 C ATOM 467 CG GLU A 357 -12.494 -10.299 3.023 1.00 0.52 C ATOM 468 CD GLU A 357 -12.545 -11.796 2.817 1.00 0.45 C ATOM 469 OE1 GLU A 357 -12.714 -12.241 1.665 1.00 0.79 O ATOM 470 OE2 GLU A 357 -12.390 -12.538 3.809 1.00 0.73 O ATOM 0 H GLU A 357 -13.388 -8.000 1.231 1.00 0.18 H new ATOM 0 HA GLU A 357 -14.539 -10.686 1.312 1.00 0.22 H new ATOM 0 HB2 GLU A 357 -13.774 -8.634 3.408 1.00 0.25 H new ATOM 0 HB3 GLU A 357 -14.487 -10.190 3.783 1.00 0.25 H new ATOM 0 HG2 GLU A 357 -11.910 -9.847 2.221 1.00 0.52 H new ATOM 0 HG3 GLU A 357 -11.974 -10.083 3.957 1.00 0.52 H new ATOM 477 N ASP A 358 -16.166 -7.907 1.902 1.00 0.19 N ATOM 478 CA ASP A 358 -17.477 -7.284 1.910 1.00 0.22 C ATOM 479 C ASP A 358 -17.377 -5.941 1.208 1.00 0.20 C ATOM 480 O ASP A 358 -17.079 -4.923 1.832 1.00 0.22 O ATOM 481 CB ASP A 358 -17.984 -7.096 3.339 1.00 0.28 C ATOM 482 CG ASP A 358 -19.476 -6.843 3.385 1.00 1.02 C ATOM 483 OD1 ASP A 358 -19.934 -5.813 2.842 1.00 2.07 O ATOM 484 OD2 ASP A 358 -20.203 -7.678 3.961 1.00 1.30 O ATOM 0 H ASP A 358 -15.392 -7.244 1.937 1.00 0.19 H new ATOM 0 HA ASP A 358 -18.186 -7.928 1.390 1.00 0.22 H new ATOM 0 HB2 ASP A 358 -17.749 -7.984 3.926 1.00 0.28 H new ATOM 0 HB3 ASP A 358 -17.460 -6.260 3.802 1.00 0.28 H new ATOM 489 N LYS A 359 -17.612 -5.953 -0.096 1.00 0.23 N ATOM 490 CA LYS A 359 -17.376 -4.788 -0.939 1.00 0.26 C ATOM 491 C LYS A 359 -18.234 -3.595 -0.537 1.00 0.28 C ATOM 492 O LYS A 359 -17.758 -2.459 -0.534 1.00 0.33 O ATOM 493 CB LYS A 359 -17.606 -5.146 -2.403 1.00 0.35 C ATOM 494 CG LYS A 359 -17.374 -3.987 -3.358 1.00 0.41 C ATOM 495 CD LYS A 359 -17.180 -4.481 -4.775 1.00 0.60 C ATOM 496 CE LYS A 359 -17.119 -3.334 -5.768 1.00 0.96 C ATOM 497 NZ LYS A 359 -16.959 -3.827 -7.160 1.00 1.65 N ATOM 0 H LYS A 359 -17.970 -6.766 -0.598 1.00 0.23 H new ATOM 0 HA LYS A 359 -16.337 -4.490 -0.799 1.00 0.26 H new ATOM 0 HB2 LYS A 359 -16.944 -5.968 -2.675 1.00 0.35 H new ATOM 0 HB3 LYS A 359 -18.628 -5.506 -2.524 1.00 0.35 H new ATOM 0 HG2 LYS A 359 -18.223 -3.305 -3.320 1.00 0.41 H new ATOM 0 HG3 LYS A 359 -16.497 -3.422 -3.043 1.00 0.41 H new ATOM 0 HD2 LYS A 359 -16.260 -5.063 -4.835 1.00 0.60 H new ATOM 0 HD3 LYS A 359 -17.998 -5.150 -5.042 1.00 0.60 H new ATOM 0 HE2 LYS A 359 -18.029 -2.739 -5.694 1.00 0.96 H new ATOM 0 HE3 LYS A 359 -16.287 -2.677 -5.516 1.00 0.96 H new ATOM 0 HZ1 LYS A 359 -16.921 -3.018 -7.813 1.00 1.65 H new ATOM 0 HZ2 LYS A 359 -16.078 -4.374 -7.235 1.00 1.65 H new ATOM 0 HZ3 LYS A 359 -17.766 -4.434 -7.408 1.00 1.65 H new ATOM 511 N GLU A 360 -19.486 -3.842 -0.180 1.00 0.32 N ATOM 512 CA GLU A 360 -20.387 -2.761 0.185 1.00 0.36 C ATOM 513 C GLU A 360 -19.956 -2.126 1.506 1.00 0.34 C ATOM 514 O GLU A 360 -20.075 -0.917 1.694 1.00 0.42 O ATOM 515 CB GLU A 360 -21.826 -3.262 0.280 1.00 0.45 C ATOM 516 CG GLU A 360 -22.842 -2.142 0.414 1.00 0.94 C ATOM 517 CD GLU A 360 -24.269 -2.643 0.387 1.00 1.10 C ATOM 518 OE1 GLU A 360 -24.824 -2.818 -0.716 1.00 1.33 O ATOM 519 OE2 GLU A 360 -24.841 -2.869 1.472 1.00 1.40 O ATOM 0 H GLU A 360 -19.898 -4.774 -0.136 1.00 0.32 H new ATOM 0 HA GLU A 360 -20.340 -2.002 -0.596 1.00 0.36 H new ATOM 0 HB2 GLU A 360 -22.058 -3.850 -0.608 1.00 0.45 H new ATOM 0 HB3 GLU A 360 -21.916 -3.929 1.137 1.00 0.45 H new ATOM 0 HG2 GLU A 360 -22.666 -1.607 1.347 1.00 0.94 H new ATOM 0 HG3 GLU A 360 -22.697 -1.426 -0.395 1.00 0.94 H new ATOM 526 N SER A 361 -19.456 -2.949 2.417 1.00 0.28 N ATOM 527 CA SER A 361 -18.923 -2.465 3.682 1.00 0.27 C ATOM 528 C SER A 361 -17.552 -1.820 3.485 1.00 0.23 C ATOM 529 O SER A 361 -17.065 -1.104 4.360 1.00 0.25 O ATOM 530 CB SER A 361 -18.817 -3.629 4.666 1.00 0.29 C ATOM 531 OG SER A 361 -20.091 -4.196 4.924 1.00 1.10 O ATOM 0 H SER A 361 -19.408 -3.961 2.302 1.00 0.28 H new ATOM 0 HA SER A 361 -19.599 -1.708 4.080 1.00 0.27 H new ATOM 0 HB2 SER A 361 -18.151 -4.391 4.262 1.00 0.29 H new ATOM 0 HB3 SER A 361 -18.374 -3.281 5.599 1.00 0.29 H new ATOM 0 HG SER A 361 -20.424 -4.634 4.113 1.00 1.10 H new ATOM 537 N LYS A 362 -16.961 -2.070 2.312 1.00 0.20 N ATOM 538 CA LYS A 362 -15.621 -1.596 1.958 1.00 0.19 C ATOM 539 C LYS A 362 -14.551 -2.378 2.724 1.00 0.15 C ATOM 540 O LYS A 362 -13.431 -1.905 2.924 1.00 0.16 O ATOM 541 CB LYS A 362 -15.482 -0.085 2.196 1.00 0.24 C ATOM 542 CG LYS A 362 -16.562 0.732 1.501 1.00 0.33 C ATOM 543 CD LYS A 362 -16.356 0.774 -0.003 1.00 0.46 C ATOM 544 CE LYS A 362 -17.599 1.262 -0.735 1.00 1.22 C ATOM 545 NZ LYS A 362 -18.159 2.507 -0.143 1.00 1.83 N ATOM 0 H LYS A 362 -17.406 -2.614 1.573 1.00 0.20 H new ATOM 0 HA LYS A 362 -15.472 -1.773 0.893 1.00 0.19 H new ATOM 0 HB2 LYS A 362 -15.519 0.113 3.267 1.00 0.24 H new ATOM 0 HB3 LYS A 362 -14.504 0.243 1.844 1.00 0.24 H new ATOM 0 HG2 LYS A 362 -17.540 0.305 1.722 1.00 0.33 H new ATOM 0 HG3 LYS A 362 -16.561 1.748 1.897 1.00 0.33 H new ATOM 0 HD2 LYS A 362 -15.517 1.430 -0.236 1.00 0.46 H new ATOM 0 HD3 LYS A 362 -16.092 -0.221 -0.361 1.00 0.46 H new ATOM 0 HE2 LYS A 362 -17.353 1.440 -1.782 1.00 1.22 H new ATOM 0 HE3 LYS A 362 -18.359 0.481 -0.715 1.00 1.22 H new ATOM 0 HZ1 LYS A 362 -18.870 2.908 -0.787 1.00 1.83 H new ATOM 0 HZ2 LYS A 362 -18.604 2.287 0.771 1.00 1.83 H new ATOM 0 HZ3 LYS A 362 -17.394 3.197 0.001 1.00 1.83 H new ATOM 559 N ILE A 363 -14.908 -3.592 3.133 1.00 0.14 N ATOM 560 CA ILE A 363 -13.976 -4.493 3.801 1.00 0.13 C ATOM 561 C ILE A 363 -13.259 -5.334 2.747 1.00 0.11 C ATOM 562 O ILE A 363 -13.901 -6.041 1.961 1.00 0.14 O ATOM 563 CB ILE A 363 -14.693 -5.438 4.811 1.00 0.15 C ATOM 564 CG1 ILE A 363 -15.142 -4.717 6.090 1.00 0.19 C ATOM 565 CG2 ILE A 363 -13.772 -6.583 5.196 1.00 0.17 C ATOM 566 CD1 ILE A 363 -15.899 -3.438 5.880 1.00 0.19 C ATOM 0 H ILE A 363 -15.845 -3.976 3.012 1.00 0.14 H new ATOM 0 HA ILE A 363 -13.267 -3.886 4.364 1.00 0.13 H new ATOM 0 HB ILE A 363 -15.585 -5.809 4.306 1.00 0.15 H new ATOM 0 HG12 ILE A 363 -15.766 -5.397 6.669 1.00 0.19 H new ATOM 0 HG13 ILE A 363 -14.260 -4.502 6.693 1.00 0.19 H new ATOM 0 HG21 ILE A 363 -14.282 -7.238 5.902 1.00 0.17 H new ATOM 0 HG22 ILE A 363 -13.503 -7.149 4.304 1.00 0.17 H new ATOM 0 HG23 ILE A 363 -12.869 -6.184 5.658 1.00 0.17 H new ATOM 0 HD11 ILE A 363 -16.168 -3.012 6.846 1.00 0.19 H new ATOM 0 HD12 ILE A 363 -15.275 -2.732 5.333 1.00 0.19 H new ATOM 0 HD13 ILE A 363 -16.805 -3.641 5.308 1.00 0.19 H new ATOM 578 N PHE A 364 -11.939 -5.270 2.726 1.00 0.09 N ATOM 579 CA PHE A 364 -11.179 -5.940 1.687 1.00 0.08 C ATOM 580 C PHE A 364 -10.011 -6.713 2.285 1.00 0.08 C ATOM 581 O PHE A 364 -9.406 -6.282 3.267 1.00 0.09 O ATOM 582 CB PHE A 364 -10.691 -4.920 0.651 1.00 0.09 C ATOM 583 CG PHE A 364 -9.476 -4.130 1.062 1.00 0.09 C ATOM 584 CD1 PHE A 364 -9.575 -3.074 1.951 1.00 0.09 C ATOM 585 CD2 PHE A 364 -8.234 -4.443 0.539 1.00 0.10 C ATOM 586 CE1 PHE A 364 -8.451 -2.348 2.311 1.00 0.10 C ATOM 587 CE2 PHE A 364 -7.112 -3.722 0.891 1.00 0.10 C ATOM 588 CZ PHE A 364 -7.217 -2.675 1.776 1.00 0.10 C ATOM 0 H PHE A 364 -11.376 -4.765 3.410 1.00 0.09 H new ATOM 0 HA PHE A 364 -11.829 -6.657 1.186 1.00 0.08 H new ATOM 0 HB2 PHE A 364 -10.468 -5.446 -0.277 1.00 0.09 H new ATOM 0 HB3 PHE A 364 -11.503 -4.225 0.437 1.00 0.09 H new ATOM 0 HD1 PHE A 364 -10.537 -2.814 2.368 1.00 0.09 H new ATOM 0 HD2 PHE A 364 -8.142 -5.265 -0.156 1.00 0.10 H new ATOM 0 HE1 PHE A 364 -8.538 -1.528 3.008 1.00 0.10 H new ATOM 0 HE2 PHE A 364 -6.151 -3.980 0.471 1.00 0.10 H new ATOM 0 HZ PHE A 364 -6.339 -2.110 2.053 1.00 0.10 H new ATOM 598 N ARG A 365 -9.703 -7.859 1.696 1.00 0.08 N ATOM 599 CA ARG A 365 -8.649 -8.716 2.205 1.00 0.09 C ATOM 600 C ARG A 365 -7.451 -8.687 1.287 1.00 0.09 C ATOM 601 O ARG A 365 -7.583 -8.885 0.078 1.00 0.10 O ATOM 602 CB ARG A 365 -9.115 -10.167 2.300 1.00 0.13 C ATOM 603 CG ARG A 365 -8.075 -11.093 2.916 1.00 0.20 C ATOM 604 CD ARG A 365 -8.267 -12.552 2.510 1.00 0.26 C ATOM 605 NE ARG A 365 -9.570 -13.089 2.900 1.00 0.58 N ATOM 606 CZ ARG A 365 -9.934 -14.365 2.741 1.00 0.73 C ATOM 607 NH1 ARG A 365 -9.074 -15.255 2.251 1.00 1.04 N ATOM 608 NH2 ARG A 365 -11.153 -14.747 3.083 1.00 1.14 N ATOM 0 H ARG A 365 -10.171 -8.215 0.863 1.00 0.08 H new ATOM 0 HA ARG A 365 -8.386 -8.341 3.194 1.00 0.09 H new ATOM 0 HB2 ARG A 365 -10.028 -10.210 2.894 1.00 0.13 H new ATOM 0 HB3 ARG A 365 -9.367 -10.527 1.302 1.00 0.13 H new ATOM 0 HG2 ARG A 365 -7.080 -10.765 2.616 1.00 0.20 H new ATOM 0 HG3 ARG A 365 -8.122 -11.014 4.002 1.00 0.20 H new ATOM 0 HD2 ARG A 365 -8.153 -12.640 1.430 1.00 0.26 H new ATOM 0 HD3 ARG A 365 -7.481 -13.156 2.964 1.00 0.26 H new ATOM 0 HE ARG A 365 -10.244 -12.449 3.320 1.00 0.58 H new ATOM 0 HH11 ARG A 365 -8.130 -14.965 1.994 1.00 1.04 H new ATOM 0 HH12 ARG A 365 -9.358 -16.227 2.132 1.00 1.04 H new ATOM 0 HH21 ARG A 365 -11.811 -14.069 3.466 1.00 1.14 H new ATOM 0 HH22 ARG A 365 -11.435 -15.720 2.963 1.00 1.14 H new ATOM 622 N ILE A 366 -6.291 -8.461 1.855 1.00 0.09 N ATOM 623 CA ILE A 366 -5.066 -8.676 1.129 1.00 0.09 C ATOM 624 C ILE A 366 -4.713 -10.147 1.222 1.00 0.09 C ATOM 625 O ILE A 366 -4.424 -10.682 2.296 1.00 0.12 O ATOM 626 CB ILE A 366 -3.930 -7.769 1.627 1.00 0.10 C ATOM 627 CG1 ILE A 366 -4.234 -6.333 1.176 1.00 0.11 C ATOM 628 CG2 ILE A 366 -2.582 -8.256 1.108 1.00 0.09 C ATOM 629 CD1 ILE A 366 -3.204 -5.307 1.582 1.00 0.12 C ATOM 0 H ILE A 366 -6.171 -8.130 2.812 1.00 0.09 H new ATOM 0 HA ILE A 366 -5.209 -8.404 0.083 1.00 0.09 H new ATOM 0 HB ILE A 366 -3.870 -7.798 2.715 1.00 0.10 H new ATOM 0 HG12 ILE A 366 -4.329 -6.321 0.090 1.00 0.11 H new ATOM 0 HG13 ILE A 366 -5.201 -6.037 1.583 1.00 0.11 H new ATOM 0 HG21 ILE A 366 -1.793 -7.599 1.473 1.00 0.09 H new ATOM 0 HG22 ILE A 366 -2.401 -9.271 1.461 1.00 0.09 H new ATOM 0 HG23 ILE A 366 -2.587 -8.247 0.018 1.00 0.09 H new ATOM 0 HD11 ILE A 366 -3.506 -4.325 1.219 1.00 0.12 H new ATOM 0 HD12 ILE A 366 -3.123 -5.283 2.669 1.00 0.12 H new ATOM 0 HD13 ILE A 366 -2.238 -5.572 1.152 1.00 0.12 H new ATOM 641 N VAL A 367 -4.798 -10.797 0.084 1.00 0.10 N ATOM 642 CA VAL A 367 -4.752 -12.242 0.005 1.00 0.12 C ATOM 643 C VAL A 367 -3.319 -12.747 -0.066 1.00 0.13 C ATOM 644 O VAL A 367 -2.950 -13.704 0.620 1.00 0.19 O ATOM 645 CB VAL A 367 -5.567 -12.722 -1.208 1.00 0.15 C ATOM 646 CG1 VAL A 367 -5.354 -14.195 -1.468 1.00 0.17 C ATOM 647 CG2 VAL A 367 -7.039 -12.430 -0.982 1.00 0.20 C ATOM 0 H VAL A 367 -4.902 -10.336 -0.820 1.00 0.10 H new ATOM 0 HA VAL A 367 -5.194 -12.653 0.912 1.00 0.12 H new ATOM 0 HB VAL A 367 -5.223 -12.180 -2.089 1.00 0.15 H new ATOM 0 HG11 VAL A 367 -5.944 -14.501 -2.332 1.00 0.17 H new ATOM 0 HG12 VAL A 367 -4.298 -14.381 -1.666 1.00 0.17 H new ATOM 0 HG13 VAL A 367 -5.665 -14.767 -0.594 1.00 0.17 H new ATOM 0 HG21 VAL A 367 -7.614 -12.771 -1.843 1.00 0.20 H new ATOM 0 HG22 VAL A 367 -7.380 -12.952 -0.088 1.00 0.20 H new ATOM 0 HG23 VAL A 367 -7.181 -11.357 -0.853 1.00 0.20 H new ATOM 657 N ASP A 368 -2.510 -12.098 -0.882 1.00 0.12 N ATOM 658 CA ASP A 368 -1.093 -12.398 -0.935 1.00 0.13 C ATOM 659 C ASP A 368 -0.312 -11.112 -0.786 1.00 0.12 C ATOM 660 O ASP A 368 -0.004 -10.431 -1.764 1.00 0.12 O ATOM 661 CB ASP A 368 -0.701 -13.109 -2.226 1.00 0.18 C ATOM 662 CG ASP A 368 0.688 -13.703 -2.133 1.00 0.25 C ATOM 663 OD1 ASP A 368 1.665 -12.976 -2.418 1.00 0.50 O ATOM 664 OD2 ASP A 368 0.812 -14.898 -1.787 1.00 0.52 O ATOM 0 H ASP A 368 -2.811 -11.359 -1.518 1.00 0.12 H new ATOM 0 HA ASP A 368 -0.858 -13.078 -0.116 1.00 0.13 H new ATOM 0 HB2 ASP A 368 -1.422 -13.898 -2.441 1.00 0.18 H new ATOM 0 HB3 ASP A 368 -0.742 -12.405 -3.057 1.00 0.18 H new ATOM 669 N PRO A 369 -0.028 -10.752 0.461 1.00 0.11 N ATOM 670 CA PRO A 369 0.625 -9.503 0.812 1.00 0.11 C ATOM 671 C PRO A 369 1.946 -9.271 0.088 1.00 0.12 C ATOM 672 O PRO A 369 2.255 -8.143 -0.299 1.00 0.14 O ATOM 673 CB PRO A 369 0.836 -9.641 2.320 1.00 0.13 C ATOM 674 CG PRO A 369 -0.260 -10.520 2.740 1.00 0.13 C ATOM 675 CD PRO A 369 -0.371 -11.527 1.656 1.00 0.13 C ATOM 0 HA PRO A 369 0.025 -8.641 0.521 1.00 0.11 H new ATOM 0 HB2 PRO A 369 1.809 -10.074 2.551 1.00 0.13 H new ATOM 0 HB3 PRO A 369 0.790 -8.674 2.822 1.00 0.13 H new ATOM 0 HG2 PRO A 369 -0.044 -10.992 3.698 1.00 0.13 H new ATOM 0 HG3 PRO A 369 -1.190 -9.964 2.861 1.00 0.13 H new ATOM 0 HD2 PRO A 369 0.313 -12.362 1.807 1.00 0.13 H new ATOM 0 HD3 PRO A 369 -1.376 -11.945 1.593 1.00 0.13 H new ATOM 683 N ASN A 370 2.718 -10.330 -0.107 1.00 0.15 N ATOM 684 CA ASN A 370 3.995 -10.203 -0.805 1.00 0.18 C ATOM 685 C ASN A 370 3.747 -9.763 -2.240 1.00 0.16 C ATOM 686 O ASN A 370 4.338 -8.793 -2.718 1.00 0.17 O ATOM 687 CB ASN A 370 4.766 -11.526 -0.807 1.00 0.25 C ATOM 688 CG ASN A 370 6.219 -11.338 -1.212 1.00 0.43 C ATOM 689 OD1 ASN A 370 6.563 -11.348 -2.396 1.00 1.13 O ATOM 690 ND2 ASN A 370 7.083 -11.171 -0.223 1.00 0.99 N ATOM 0 H ASN A 370 2.490 -11.275 0.202 1.00 0.15 H new ATOM 0 HA ASN A 370 4.595 -9.459 -0.280 1.00 0.18 H new ATOM 0 HB2 ASN A 370 4.721 -11.973 0.186 1.00 0.25 H new ATOM 0 HB3 ASN A 370 4.286 -12.224 -1.493 1.00 0.25 H new ATOM 0 HD21 ASN A 370 8.074 -11.044 -0.428 1.00 0.99 H new ATOM 0 HD22 ASN A 370 6.757 -11.169 0.744 1.00 0.99 H new ATOM 697 N GLY A 371 2.837 -10.470 -2.903 1.00 0.16 N ATOM 698 CA GLY A 371 2.492 -10.161 -4.277 1.00 0.17 C ATOM 699 C GLY A 371 1.815 -8.812 -4.414 1.00 0.14 C ATOM 700 O GLY A 371 1.994 -8.127 -5.417 1.00 0.16 O ATOM 0 H GLY A 371 2.328 -11.260 -2.507 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.395 -10.175 -4.887 1.00 0.17 H new ATOM 0 HA3 GLY A 371 1.832 -10.937 -4.666 1.00 0.17 H new ATOM 704 N LEU A 372 1.037 -8.433 -3.406 1.00 0.13 N ATOM 705 CA LEU A 372 0.385 -7.128 -3.385 1.00 0.12 C ATOM 706 C LEU A 372 1.442 -6.021 -3.386 1.00 0.12 C ATOM 707 O LEU A 372 1.333 -5.041 -4.123 1.00 0.12 O ATOM 708 CB LEU A 372 -0.518 -7.017 -2.150 1.00 0.12 C ATOM 709 CG LEU A 372 -1.827 -6.243 -2.340 1.00 0.11 C ATOM 710 CD1 LEU A 372 -1.567 -4.775 -2.648 1.00 0.11 C ATOM 711 CD2 LEU A 372 -2.648 -6.879 -3.446 1.00 0.14 C ATOM 0 H LEU A 372 0.842 -9.013 -2.590 1.00 0.13 H new ATOM 0 HA LEU A 372 -0.234 -7.017 -4.276 1.00 0.12 H new ATOM 0 HB2 LEU A 372 -0.761 -8.024 -1.811 1.00 0.12 H new ATOM 0 HB3 LEU A 372 0.050 -6.540 -1.351 1.00 0.12 H new ATOM 0 HG LEU A 372 -2.387 -6.289 -1.406 1.00 0.11 H new ATOM 0 HD11 LEU A 372 -2.517 -4.256 -2.777 1.00 0.11 H new ATOM 0 HD12 LEU A 372 -1.015 -4.323 -1.824 1.00 0.11 H new ATOM 0 HD13 LEU A 372 -0.982 -4.694 -3.564 1.00 0.11 H new ATOM 0 HD21 LEU A 372 -3.577 -6.323 -3.575 1.00 0.14 H new ATOM 0 HD22 LEU A 372 -2.081 -6.860 -4.377 1.00 0.14 H new ATOM 0 HD23 LEU A 372 -2.877 -7.911 -3.182 1.00 0.14 H new ATOM 723 N ALA A 373 2.476 -6.205 -2.571 1.00 0.13 N ATOM 724 CA ALA A 373 3.607 -5.278 -2.533 1.00 0.16 C ATOM 725 C ALA A 373 4.338 -5.278 -3.872 1.00 0.18 C ATOM 726 O ALA A 373 4.801 -4.237 -4.340 1.00 0.22 O ATOM 727 CB ALA A 373 4.560 -5.675 -1.429 1.00 0.18 C ATOM 0 H ALA A 373 2.556 -6.990 -1.925 1.00 0.13 H new ATOM 0 HA ALA A 373 3.230 -4.274 -2.339 1.00 0.16 H new ATOM 0 HB1 ALA A 373 5.400 -4.981 -1.406 1.00 0.18 H new ATOM 0 HB2 ALA A 373 4.040 -5.647 -0.472 1.00 0.18 H new ATOM 0 HB3 ALA A 373 4.929 -6.684 -1.612 1.00 0.18 H new ATOM 733 N ARG A 374 4.448 -6.463 -4.476 1.00 0.19 N ATOM 734 CA ARG A 374 5.046 -6.600 -5.799 1.00 0.24 C ATOM 735 C ARG A 374 4.254 -5.788 -6.814 1.00 0.19 C ATOM 736 O ARG A 374 4.824 -5.067 -7.624 1.00 0.21 O ATOM 737 CB ARG A 374 5.078 -8.062 -6.238 1.00 0.33 C ATOM 738 CG ARG A 374 5.891 -8.961 -5.328 1.00 0.67 C ATOM 739 CD ARG A 374 7.365 -8.588 -5.302 1.00 0.92 C ATOM 740 NE ARG A 374 8.148 -9.546 -4.518 1.00 1.47 N ATOM 741 CZ ARG A 374 9.480 -9.626 -4.546 1.00 1.99 C ATOM 742 NH1 ARG A 374 10.188 -8.789 -5.299 1.00 2.45 N ATOM 743 NH2 ARG A 374 10.107 -10.547 -3.825 1.00 2.67 N ATOM 0 H ARG A 374 4.129 -7.341 -4.066 1.00 0.19 H new ATOM 0 HA ARG A 374 6.069 -6.229 -5.746 1.00 0.24 H new ATOM 0 HB2 ARG A 374 4.056 -8.439 -6.286 1.00 0.33 H new ATOM 0 HB3 ARG A 374 5.486 -8.119 -7.247 1.00 0.33 H new ATOM 0 HG2 ARG A 374 5.489 -8.907 -4.316 1.00 0.67 H new ATOM 0 HG3 ARG A 374 5.787 -9.995 -5.658 1.00 0.67 H new ATOM 0 HD2 ARG A 374 7.750 -8.550 -6.321 1.00 0.92 H new ATOM 0 HD3 ARG A 374 7.481 -7.590 -4.880 1.00 0.92 H new ATOM 0 HE ARG A 374 7.643 -10.193 -3.912 1.00 1.47 H new ATOM 0 HH11 ARG A 374 9.713 -8.081 -5.859 1.00 2.45 H new ATOM 0 HH12 ARG A 374 11.206 -8.855 -5.316 1.00 2.45 H new ATOM 0 HH21 ARG A 374 9.571 -11.195 -3.248 1.00 2.67 H new ATOM 0 HH22 ARG A 374 11.125 -10.607 -3.848 1.00 2.67 H new ATOM 757 N LEU A 375 2.931 -5.917 -6.752 1.00 0.17 N ATOM 758 CA LEU A 375 2.030 -5.186 -7.635 1.00 0.18 C ATOM 759 C LEU A 375 2.176 -3.683 -7.437 1.00 0.19 C ATOM 760 O LEU A 375 2.335 -2.933 -8.403 1.00 0.22 O ATOM 761 CB LEU A 375 0.577 -5.594 -7.373 1.00 0.18 C ATOM 762 CG LEU A 375 0.235 -7.049 -7.689 1.00 0.21 C ATOM 763 CD1 LEU A 375 -1.178 -7.371 -7.234 1.00 0.23 C ATOM 764 CD2 LEU A 375 0.380 -7.319 -9.177 1.00 0.26 C ATOM 0 H LEU A 375 2.456 -6.530 -6.090 1.00 0.17 H new ATOM 0 HA LEU A 375 2.296 -5.434 -8.662 1.00 0.18 H new ATOM 0 HB2 LEU A 375 0.348 -5.405 -6.324 1.00 0.18 H new ATOM 0 HB3 LEU A 375 -0.075 -4.949 -7.963 1.00 0.18 H new ATOM 0 HG LEU A 375 0.932 -7.691 -7.150 1.00 0.21 H new ATOM 0 HD11 LEU A 375 -1.407 -8.411 -7.466 1.00 0.23 H new ATOM 0 HD12 LEU A 375 -1.259 -7.213 -6.159 1.00 0.23 H new ATOM 0 HD13 LEU A 375 -1.884 -6.720 -7.750 1.00 0.23 H new ATOM 0 HD21 LEU A 375 0.132 -8.360 -9.384 1.00 0.26 H new ATOM 0 HD22 LEU A 375 -0.295 -6.668 -9.732 1.00 0.26 H new ATOM 0 HD23 LEU A 375 1.407 -7.122 -9.484 1.00 0.26 H new ATOM 776 N TRP A 376 2.121 -3.251 -6.183 1.00 0.18 N ATOM 777 CA TRP A 376 2.227 -1.837 -5.863 1.00 0.20 C ATOM 778 C TRP A 376 3.569 -1.281 -6.329 1.00 0.25 C ATOM 779 O TRP A 376 3.628 -0.213 -6.940 1.00 0.30 O ATOM 780 CB TRP A 376 2.038 -1.605 -4.361 1.00 0.20 C ATOM 781 CG TRP A 376 2.107 -0.159 -3.989 1.00 0.20 C ATOM 782 CD1 TRP A 376 1.289 0.843 -4.429 1.00 0.20 C ATOM 783 CD2 TRP A 376 3.039 0.448 -3.092 1.00 0.24 C ATOM 784 NE1 TRP A 376 1.679 2.042 -3.880 1.00 0.23 N ATOM 785 CE2 TRP A 376 2.746 1.824 -3.048 1.00 0.26 C ATOM 786 CE3 TRP A 376 4.094 -0.041 -2.322 1.00 0.29 C ATOM 787 CZ2 TRP A 376 3.476 2.714 -2.266 1.00 0.31 C ATOM 788 CZ3 TRP A 376 4.813 0.844 -1.546 1.00 0.34 C ATOM 789 CH2 TRP A 376 4.502 2.205 -1.521 1.00 0.35 C ATOM 0 H TRP A 376 2.004 -3.860 -5.374 1.00 0.18 H new ATOM 0 HA TRP A 376 1.434 -1.307 -6.391 1.00 0.20 H new ATOM 0 HB2 TRP A 376 1.074 -2.010 -4.053 1.00 0.20 H new ATOM 0 HB3 TRP A 376 2.804 -2.154 -3.813 1.00 0.20 H new ATOM 0 HD1 TRP A 376 0.459 0.713 -5.108 1.00 0.20 H new ATOM 0 HE1 TRP A 376 1.245 2.947 -4.062 1.00 0.23 H new ATOM 0 HE3 TRP A 376 4.343 -1.092 -2.333 1.00 0.29 H new ATOM 0 HZ2 TRP A 376 3.240 3.768 -2.249 1.00 0.31 H new ATOM 0 HZ3 TRP A 376 5.633 0.477 -0.946 1.00 0.34 H new ATOM 0 HH2 TRP A 376 5.085 2.869 -0.900 1.00 0.35 H new ATOM 800 N GLY A 377 4.646 -2.014 -6.054 1.00 0.27 N ATOM 801 CA GLY A 377 5.949 -1.608 -6.534 1.00 0.33 C ATOM 802 C GLY A 377 6.040 -1.650 -8.044 1.00 0.38 C ATOM 803 O GLY A 377 6.685 -0.802 -8.647 1.00 0.41 O ATOM 0 H GLY A 377 4.636 -2.877 -5.510 1.00 0.27 H new ATOM 0 HA2 GLY A 377 6.164 -0.597 -6.187 1.00 0.33 H new ATOM 0 HA3 GLY A 377 6.711 -2.260 -6.107 1.00 0.33 H new ATOM 807 N ASN A 378 5.388 -2.635 -8.654 1.00 0.41 N ATOM 808 CA ASN A 378 5.325 -2.745 -10.114 1.00 0.50 C ATOM 809 C ASN A 378 4.803 -1.446 -10.718 1.00 0.51 C ATOM 810 O ASN A 378 5.308 -0.969 -11.734 1.00 0.62 O ATOM 811 CB ASN A 378 4.420 -3.912 -10.517 1.00 0.54 C ATOM 812 CG ASN A 378 4.333 -4.116 -12.022 1.00 0.72 C ATOM 813 OD1 ASN A 378 5.290 -3.863 -12.756 1.00 0.89 O ATOM 814 ND2 ASN A 378 3.180 -4.583 -12.490 1.00 1.06 N ATOM 0 H ASN A 378 4.891 -3.375 -8.159 1.00 0.41 H new ATOM 0 HA ASN A 378 6.330 -2.931 -10.494 1.00 0.50 H new ATOM 0 HB2 ASN A 378 4.791 -4.827 -10.055 1.00 0.54 H new ATOM 0 HB3 ASN A 378 3.419 -3.739 -10.123 1.00 0.54 H new ATOM 0 HD21 ASN A 378 3.064 -4.744 -13.490 1.00 1.06 H new ATOM 0 HD22 ASN A 378 2.412 -4.780 -11.849 1.00 1.06 H new ATOM 821 N HIS A 379 3.801 -0.874 -10.066 1.00 0.44 N ATOM 822 CA HIS A 379 3.237 0.399 -10.488 1.00 0.49 C ATOM 823 C HIS A 379 4.199 1.540 -10.169 1.00 0.53 C ATOM 824 O HIS A 379 4.366 2.467 -10.960 1.00 0.67 O ATOM 825 CB HIS A 379 1.897 0.632 -9.784 1.00 0.51 C ATOM 826 CG HIS A 379 1.191 1.883 -10.214 1.00 0.61 C ATOM 827 ND1 HIS A 379 0.348 1.896 -11.299 1.00 0.70 N ATOM 828 CD2 HIS A 379 1.228 3.122 -9.669 1.00 0.78 C ATOM 829 CE1 HIS A 379 -0.105 3.131 -11.389 1.00 0.84 C ATOM 830 NE2 HIS A 379 0.400 3.911 -10.423 1.00 0.89 N ATOM 0 H HIS A 379 3.360 -1.275 -9.238 1.00 0.44 H new ATOM 0 HA HIS A 379 3.076 0.371 -11.566 1.00 0.49 H new ATOM 0 HB2 HIS A 379 1.247 -0.222 -9.971 1.00 0.51 H new ATOM 0 HB3 HIS A 379 2.066 0.674 -8.708 1.00 0.51 H new ATOM 0 HD2 HIS A 379 1.800 3.429 -8.806 1.00 0.78 H new ATOM 0 HE1 HIS A 379 -0.796 3.471 -12.146 1.00 0.84 H new ATOM 0 HE2 HIS A 379 0.205 4.902 -10.277 1.00 0.89 H new ATOM 838 N LYS A 380 4.848 1.450 -9.015 1.00 0.47 N ATOM 839 CA LYS A 380 5.717 2.515 -8.526 1.00 0.55 C ATOM 840 C LYS A 380 7.163 2.335 -8.986 1.00 0.56 C ATOM 841 O LYS A 380 8.085 2.789 -8.309 1.00 0.70 O ATOM 842 CB LYS A 380 5.659 2.573 -6.999 1.00 0.62 C ATOM 843 CG LYS A 380 4.428 3.280 -6.452 1.00 0.79 C ATOM 844 CD LYS A 380 4.456 4.766 -6.777 1.00 0.75 C ATOM 845 CE LYS A 380 3.820 5.593 -5.668 1.00 0.84 C ATOM 846 NZ LYS A 380 2.376 5.296 -5.492 1.00 1.36 N ATOM 0 H LYS A 380 4.788 0.643 -8.395 1.00 0.47 H new ATOM 0 HA LYS A 380 5.355 3.453 -8.946 1.00 0.55 H new ATOM 0 HB2 LYS A 380 5.686 1.557 -6.606 1.00 0.62 H new ATOM 0 HB3 LYS A 380 6.550 3.081 -6.631 1.00 0.62 H new ATOM 0 HG2 LYS A 380 3.529 2.830 -6.874 1.00 0.79 H new ATOM 0 HG3 LYS A 380 4.376 3.142 -5.372 1.00 0.79 H new ATOM 0 HD2 LYS A 380 5.487 5.087 -6.926 1.00 0.75 H new ATOM 0 HD3 LYS A 380 3.928 4.944 -7.714 1.00 0.75 H new ATOM 0 HE2 LYS A 380 4.343 5.402 -4.731 1.00 0.84 H new ATOM 0 HE3 LYS A 380 3.945 6.652 -5.892 1.00 0.84 H new ATOM 0 HZ1 LYS A 380 1.999 5.860 -4.704 1.00 1.36 H new ATOM 0 HZ2 LYS A 380 1.863 5.535 -6.365 1.00 1.36 H new ATOM 0 HZ3 LYS A 380 2.252 4.285 -5.284 1.00 1.36 H new ATOM 860 N ASN A 381 7.343 1.650 -10.122 1.00 0.52 N ATOM 861 CA ASN A 381 8.667 1.375 -10.716 1.00 0.60 C ATOM 862 C ASN A 381 9.667 0.844 -9.684 1.00 0.59 C ATOM 863 O ASN A 381 10.879 1.037 -9.804 1.00 0.76 O ATOM 864 CB ASN A 381 9.236 2.606 -11.459 1.00 0.76 C ATOM 865 CG ASN A 381 9.651 3.763 -10.559 1.00 1.50 C ATOM 866 OD1 ASN A 381 10.785 3.819 -10.080 1.00 2.30 O ATOM 867 ND2 ASN A 381 8.754 4.717 -10.360 1.00 2.17 N ATOM 0 H ASN A 381 6.569 1.265 -10.664 1.00 0.52 H new ATOM 0 HA ASN A 381 8.513 0.587 -11.454 1.00 0.60 H new ATOM 0 HB2 ASN A 381 10.100 2.292 -12.044 1.00 0.76 H new ATOM 0 HB3 ASN A 381 8.487 2.964 -12.165 1.00 0.76 H new ATOM 0 HD21 ASN A 381 8.993 5.532 -9.794 1.00 2.17 H new ATOM 0 HD22 ASN A 381 7.824 4.637 -10.772 1.00 2.17 H new ATOM 874 N ARG A 382 9.147 0.136 -8.692 1.00 0.49 N ATOM 875 CA ARG A 382 9.962 -0.412 -7.625 1.00 0.55 C ATOM 876 C ARG A 382 10.330 -1.854 -7.917 1.00 0.67 C ATOM 877 O ARG A 382 9.555 -2.605 -8.509 1.00 0.79 O ATOM 878 CB ARG A 382 9.243 -0.322 -6.283 1.00 0.51 C ATOM 879 CG ARG A 382 9.125 1.093 -5.775 1.00 0.70 C ATOM 880 CD ARG A 382 10.490 1.746 -5.659 1.00 1.09 C ATOM 881 NE ARG A 382 11.286 1.180 -4.569 1.00 1.88 N ATOM 882 CZ ARG A 382 12.098 1.893 -3.790 1.00 2.39 C ATOM 883 NH1 ARG A 382 12.263 3.196 -3.997 1.00 2.40 N ATOM 884 NH2 ARG A 382 12.756 1.296 -2.805 1.00 3.26 N ATOM 0 H ARG A 382 8.152 -0.072 -8.607 1.00 0.49 H new ATOM 0 HA ARG A 382 10.875 0.181 -7.569 1.00 0.55 H new ATOM 0 HB2 ARG A 382 8.246 -0.752 -6.381 1.00 0.51 H new ATOM 0 HB3 ARG A 382 9.779 -0.923 -5.548 1.00 0.51 H new ATOM 0 HG2 ARG A 382 8.496 1.674 -6.450 1.00 0.70 H new ATOM 0 HG3 ARG A 382 8.634 1.094 -4.802 1.00 0.70 H new ATOM 0 HD2 ARG A 382 11.028 1.626 -6.599 1.00 1.09 H new ATOM 0 HD3 ARG A 382 10.365 2.817 -5.497 1.00 1.09 H new ATOM 0 HE ARG A 382 11.215 0.177 -4.395 1.00 1.88 H new ATOM 0 HH11 ARG A 382 11.766 3.659 -4.758 1.00 2.40 H new ATOM 0 HH12 ARG A 382 12.887 3.733 -3.395 1.00 2.40 H new ATOM 0 HH21 ARG A 382 12.639 0.295 -2.647 1.00 3.26 H new ATOM 0 HH22 ARG A 382 13.379 1.838 -2.206 1.00 3.26 H new ATOM 943 N THR A 386 8.366 -5.397 -0.669 1.00 0.33 N ATOM 944 CA THR A 386 7.801 -6.499 0.076 1.00 0.28 C ATOM 945 C THR A 386 6.702 -5.924 0.972 1.00 0.21 C ATOM 946 O THR A 386 6.724 -4.725 1.217 1.00 0.24 O ATOM 947 CB THR A 386 8.910 -7.173 0.906 1.00 0.33 C ATOM 948 OG1 THR A 386 9.807 -7.882 0.044 1.00 0.54 O ATOM 949 CG2 THR A 386 8.337 -8.103 1.942 1.00 0.26 C ATOM 0 HA THR A 386 7.376 -7.257 -0.582 1.00 0.28 H new ATOM 0 HB THR A 386 9.459 -6.391 1.430 1.00 0.33 H new ATOM 0 HG1 THR A 386 10.509 -8.306 0.580 1.00 0.54 H new ATOM 0 HG21 THR A 386 9.148 -8.561 2.509 1.00 0.26 H new ATOM 0 HG22 THR A 386 7.693 -7.541 2.619 1.00 0.26 H new ATOM 0 HG23 THR A 386 7.754 -8.881 1.450 1.00 0.26 H new ATOM 957 N TYR A 387 5.730 -6.720 1.429 1.00 0.19 N ATOM 958 CA TYR A 387 4.588 -6.147 2.145 1.00 0.17 C ATOM 959 C TYR A 387 5.036 -5.341 3.357 1.00 0.16 C ATOM 960 O TYR A 387 4.542 -4.245 3.574 1.00 0.18 O ATOM 961 CB TYR A 387 3.569 -7.189 2.578 1.00 0.19 C ATOM 962 CG TYR A 387 2.277 -6.532 2.994 1.00 0.20 C ATOM 963 CD1 TYR A 387 2.163 -5.897 4.224 1.00 0.21 C ATOM 964 CD2 TYR A 387 1.181 -6.520 2.149 1.00 0.22 C ATOM 965 CE1 TYR A 387 0.996 -5.273 4.595 1.00 0.24 C ATOM 966 CE2 TYR A 387 0.011 -5.902 2.516 1.00 0.25 C ATOM 967 CZ TYR A 387 -0.075 -5.279 3.738 1.00 0.26 C ATOM 968 OH TYR A 387 -1.240 -4.668 4.108 1.00 0.30 O ATOM 0 H TYR A 387 5.709 -7.734 1.320 1.00 0.19 H new ATOM 0 HA TYR A 387 4.100 -5.485 1.429 1.00 0.17 H new ATOM 0 HB2 TYR A 387 3.382 -7.884 1.759 1.00 0.19 H new ATOM 0 HB3 TYR A 387 3.969 -7.773 3.407 1.00 0.19 H new ATOM 0 HD1 TYR A 387 3.005 -5.894 4.900 1.00 0.21 H new ATOM 0 HD2 TYR A 387 1.247 -7.004 1.186 1.00 0.22 H new ATOM 0 HE1 TYR A 387 0.923 -4.782 5.554 1.00 0.24 H new ATOM 0 HE2 TYR A 387 -0.837 -5.905 1.848 1.00 0.25 H new ATOM 0 HH TYR A 387 -1.910 -5.348 4.330 1.00 0.30 H new ATOM 978 N GLU A 388 5.965 -5.877 4.136 1.00 0.20 N ATOM 979 CA GLU A 388 6.512 -5.151 5.286 1.00 0.26 C ATOM 980 C GLU A 388 7.031 -3.775 4.869 1.00 0.25 C ATOM 981 O GLU A 388 6.993 -2.814 5.639 1.00 0.31 O ATOM 982 CB GLU A 388 7.632 -5.956 5.924 1.00 0.38 C ATOM 983 CG GLU A 388 7.156 -7.251 6.554 1.00 1.00 C ATOM 984 CD GLU A 388 8.285 -8.045 7.167 1.00 1.78 C ATOM 985 OE1 GLU A 388 8.908 -8.849 6.446 1.00 2.37 O ATOM 986 OE2 GLU A 388 8.553 -7.873 8.373 1.00 2.34 O ATOM 0 H GLU A 388 6.358 -6.808 3.998 1.00 0.20 H new ATOM 0 HA GLU A 388 5.711 -5.009 6.012 1.00 0.26 H new ATOM 0 HB2 GLU A 388 8.384 -6.183 5.168 1.00 0.38 H new ATOM 0 HB3 GLU A 388 8.120 -5.347 6.685 1.00 0.38 H new ATOM 0 HG2 GLU A 388 6.415 -7.027 7.321 1.00 1.00 H new ATOM 0 HG3 GLU A 388 6.658 -7.858 5.798 1.00 1.00 H new ATOM 993 N LYS A 389 7.527 -3.709 3.648 1.00 0.24 N ATOM 994 CA LYS A 389 7.994 -2.471 3.049 1.00 0.28 C ATOM 995 C LYS A 389 6.830 -1.652 2.468 1.00 0.26 C ATOM 996 O LYS A 389 6.865 -0.425 2.466 1.00 0.32 O ATOM 997 CB LYS A 389 9.045 -2.819 1.986 1.00 0.34 C ATOM 998 CG LYS A 389 10.246 -3.508 2.602 1.00 0.46 C ATOM 999 CD LYS A 389 11.166 -4.125 1.567 1.00 0.52 C ATOM 1000 CE LYS A 389 12.360 -4.772 2.248 1.00 0.72 C ATOM 1001 NZ LYS A 389 13.206 -5.540 1.305 1.00 1.62 N ATOM 0 H LYS A 389 7.618 -4.521 3.037 1.00 0.24 H new ATOM 0 HA LYS A 389 8.450 -1.839 3.811 1.00 0.28 H new ATOM 0 HB2 LYS A 389 8.600 -3.466 1.230 1.00 0.34 H new ATOM 0 HB3 LYS A 389 9.366 -1.910 1.478 1.00 0.34 H new ATOM 0 HG2 LYS A 389 10.807 -2.787 3.196 1.00 0.46 H new ATOM 0 HG3 LYS A 389 9.902 -4.285 3.285 1.00 0.46 H new ATOM 0 HD2 LYS A 389 10.623 -4.869 0.984 1.00 0.52 H new ATOM 0 HD3 LYS A 389 11.506 -3.360 0.869 1.00 0.52 H new ATOM 0 HE2 LYS A 389 12.963 -4.000 2.726 1.00 0.72 H new ATOM 0 HE3 LYS A 389 12.008 -5.436 3.038 1.00 0.72 H new ATOM 0 HZ1 LYS A 389 14.006 -5.961 1.820 1.00 1.62 H new ATOM 0 HZ2 LYS A 389 12.640 -6.295 0.867 1.00 1.62 H new ATOM 0 HZ3 LYS A 389 13.566 -4.904 0.565 1.00 1.62 H new ATOM 1015 N MET A 390 5.791 -2.341 1.996 1.00 0.19 N ATOM 1016 CA MET A 390 4.617 -1.696 1.419 1.00 0.20 C ATOM 1017 C MET A 390 3.724 -1.102 2.517 1.00 0.20 C ATOM 1018 O MET A 390 3.126 -0.038 2.346 1.00 0.22 O ATOM 1019 CB MET A 390 3.824 -2.709 0.588 1.00 0.18 C ATOM 1020 CG MET A 390 2.349 -2.754 0.936 1.00 0.23 C ATOM 1021 SD MET A 390 1.390 -3.794 -0.178 1.00 0.68 S ATOM 1022 CE MET A 390 -0.275 -3.324 0.287 1.00 1.18 C ATOM 0 H MET A 390 5.742 -3.360 2.004 1.00 0.19 H new ATOM 0 HA MET A 390 4.951 -0.883 0.774 1.00 0.20 H new ATOM 0 HB2 MET A 390 3.933 -2.465 -0.469 1.00 0.18 H new ATOM 0 HB3 MET A 390 4.254 -3.700 0.732 1.00 0.18 H new ATOM 0 HG2 MET A 390 2.234 -3.122 1.956 1.00 0.23 H new ATOM 0 HG3 MET A 390 1.946 -1.741 0.915 1.00 0.23 H new ATOM 0 HE1 MET A 390 -0.972 -4.106 -0.015 1.00 1.18 H new ATOM 0 HE2 MET A 390 -0.327 -3.189 1.367 1.00 1.18 H new ATOM 0 HE3 MET A 390 -0.541 -2.390 -0.208 1.00 1.18 H new ATOM 1032 N SER A 391 3.655 -1.802 3.646 1.00 0.20 N ATOM 1033 CA SER A 391 2.800 -1.422 4.760 1.00 0.21 C ATOM 1034 C SER A 391 3.208 -0.072 5.323 1.00 0.18 C ATOM 1035 O SER A 391 2.426 0.592 5.996 1.00 0.18 O ATOM 1036 CB SER A 391 2.846 -2.492 5.849 1.00 0.26 C ATOM 1037 OG SER A 391 4.179 -2.812 6.210 1.00 0.64 O ATOM 0 H SER A 391 4.194 -2.652 3.812 1.00 0.20 H new ATOM 0 HA SER A 391 1.777 -1.338 4.393 1.00 0.21 H new ATOM 0 HB2 SER A 391 2.305 -2.141 6.728 1.00 0.26 H new ATOM 0 HB3 SER A 391 2.338 -3.390 5.499 1.00 0.26 H new ATOM 0 HG SER A 391 4.173 -3.498 6.910 1.00 0.64 H new ATOM 1043 N ARG A 392 4.440 0.315 5.047 1.00 0.19 N ATOM 1044 CA ARG A 392 4.951 1.610 5.470 1.00 0.20 C ATOM 1045 C ARG A 392 4.086 2.736 4.908 1.00 0.19 C ATOM 1046 O ARG A 392 3.824 3.726 5.588 1.00 0.23 O ATOM 1047 CB ARG A 392 6.397 1.781 5.016 1.00 0.24 C ATOM 1048 CG ARG A 392 7.396 0.961 5.806 1.00 0.52 C ATOM 1049 CD ARG A 392 7.544 1.498 7.211 1.00 0.67 C ATOM 1050 NE ARG A 392 8.588 0.803 7.957 1.00 1.31 N ATOM 1051 CZ ARG A 392 9.655 1.406 8.473 1.00 1.66 C ATOM 1052 NH1 ARG A 392 9.857 2.702 8.264 1.00 1.88 N ATOM 1053 NH2 ARG A 392 10.533 0.712 9.183 1.00 2.48 N ATOM 0 H ARG A 392 5.111 -0.252 4.528 1.00 0.19 H new ATOM 0 HA ARG A 392 4.916 1.656 6.558 1.00 0.20 H new ATOM 0 HB2 ARG A 392 6.471 1.507 3.963 1.00 0.24 H new ATOM 0 HB3 ARG A 392 6.668 2.834 5.091 1.00 0.24 H new ATOM 0 HG2 ARG A 392 7.071 -0.079 5.842 1.00 0.52 H new ATOM 0 HG3 ARG A 392 8.363 0.976 5.303 1.00 0.52 H new ATOM 0 HD2 ARG A 392 7.776 2.562 7.169 1.00 0.67 H new ATOM 0 HD3 ARG A 392 6.595 1.399 7.738 1.00 0.67 H new ATOM 0 HE ARG A 392 8.494 -0.204 8.090 1.00 1.31 H new ATOM 0 HH11 ARG A 392 9.193 3.238 7.706 1.00 1.88 H new ATOM 0 HH12 ARG A 392 10.677 3.161 8.661 1.00 1.88 H new ATOM 0 HH21 ARG A 392 10.391 -0.287 9.335 1.00 2.48 H new ATOM 0 HH22 ARG A 392 11.351 1.177 9.578 1.00 2.48 H new ATOM 1067 N ALA A 393 3.621 2.563 3.673 1.00 0.16 N ATOM 1068 CA ALA A 393 2.725 3.531 3.054 1.00 0.16 C ATOM 1069 C ALA A 393 1.345 3.452 3.711 1.00 0.16 C ATOM 1070 O ALA A 393 0.740 4.469 4.048 1.00 0.19 O ATOM 1071 CB ALA A 393 2.629 3.291 1.550 1.00 0.19 C ATOM 0 H ALA A 393 3.850 1.763 3.084 1.00 0.16 H new ATOM 0 HA ALA A 393 3.126 4.533 3.205 1.00 0.16 H new ATOM 0 HB1 ALA A 393 1.955 4.024 1.107 1.00 0.19 H new ATOM 0 HB2 ALA A 393 3.618 3.389 1.102 1.00 0.19 H new ATOM 0 HB3 ALA A 393 2.245 2.288 1.365 1.00 0.19 H new ATOM 1077 N LEU A 394 0.875 2.220 3.923 1.00 0.15 N ATOM 1078 CA LEU A 394 -0.412 1.967 4.575 1.00 0.18 C ATOM 1079 C LEU A 394 -0.444 2.516 5.996 1.00 0.18 C ATOM 1080 O LEU A 394 -1.500 2.896 6.498 1.00 0.20 O ATOM 1081 CB LEU A 394 -0.697 0.463 4.624 1.00 0.22 C ATOM 1082 CG LEU A 394 -1.017 -0.188 3.284 1.00 0.25 C ATOM 1083 CD1 LEU A 394 -0.933 -1.694 3.409 1.00 0.35 C ATOM 1084 CD2 LEU A 394 -2.402 0.222 2.812 1.00 0.24 C ATOM 0 H LEU A 394 1.374 1.373 3.649 1.00 0.15 H new ATOM 0 HA LEU A 394 -1.174 2.477 3.985 1.00 0.18 H new ATOM 0 HB2 LEU A 394 0.169 -0.039 5.055 1.00 0.22 H new ATOM 0 HB3 LEU A 394 -1.534 0.291 5.301 1.00 0.22 H new ATOM 0 HG LEU A 394 -0.287 0.149 2.548 1.00 0.25 H new ATOM 0 HD11 LEU A 394 -1.163 -2.152 2.447 1.00 0.35 H new ATOM 0 HD12 LEU A 394 0.074 -1.978 3.715 1.00 0.35 H new ATOM 0 HD13 LEU A 394 -1.649 -2.038 4.155 1.00 0.35 H new ATOM 0 HD21 LEU A 394 -2.615 -0.252 1.854 1.00 0.24 H new ATOM 0 HD22 LEU A 394 -3.144 -0.093 3.545 1.00 0.24 H new ATOM 0 HD23 LEU A 394 -2.442 1.305 2.698 1.00 0.24 H new ATOM 1096 N ARG A 395 0.715 2.539 6.640 1.00 0.20 N ATOM 1097 CA ARG A 395 0.832 2.980 8.019 1.00 0.26 C ATOM 1098 C ARG A 395 0.298 4.399 8.196 1.00 0.21 C ATOM 1099 O ARG A 395 -0.242 4.738 9.248 1.00 0.22 O ATOM 1100 CB ARG A 395 2.292 2.901 8.472 1.00 0.36 C ATOM 1101 CG ARG A 395 2.448 2.855 9.979 1.00 0.94 C ATOM 1102 CD ARG A 395 1.810 1.602 10.556 1.00 0.94 C ATOM 1103 NE ARG A 395 1.650 1.692 12.006 1.00 1.59 N ATOM 1104 CZ ARG A 395 0.697 1.072 12.698 1.00 1.91 C ATOM 1105 NH1 ARG A 395 -0.128 0.225 12.098 1.00 1.87 N ATOM 1106 NH2 ARG A 395 0.591 1.271 14.005 1.00 2.78 N ATOM 0 H ARG A 395 1.599 2.252 6.219 1.00 0.20 H new ATOM 0 HA ARG A 395 0.228 2.317 8.639 1.00 0.26 H new ATOM 0 HB2 ARG A 395 2.753 2.013 8.038 1.00 0.36 H new ATOM 0 HB3 ARG A 395 2.833 3.763 8.083 1.00 0.36 H new ATOM 0 HG2 ARG A 395 3.506 2.881 10.239 1.00 0.94 H new ATOM 0 HG3 ARG A 395 1.989 3.738 10.423 1.00 0.94 H new ATOM 0 HD2 ARG A 395 0.836 1.443 10.092 1.00 0.94 H new ATOM 0 HD3 ARG A 395 2.425 0.736 10.311 1.00 0.94 H new ATOM 0 HE ARG A 395 2.314 2.269 12.523 1.00 1.59 H new ATOM 0 HH11 ARG A 395 -0.035 0.044 11.098 1.00 1.87 H new ATOM 0 HH12 ARG A 395 -0.856 -0.246 12.636 1.00 1.87 H new ATOM 0 HH21 ARG A 395 1.240 1.899 14.480 1.00 2.78 H new ATOM 0 HH22 ARG A 395 -0.139 0.796 14.536 1.00 2.78 H new ATOM 1120 N HIS A 396 0.436 5.219 7.164 1.00 0.20 N ATOM 1121 CA HIS A 396 -0.061 6.585 7.212 1.00 0.19 C ATOM 1122 C HIS A 396 -1.569 6.617 7.017 1.00 0.16 C ATOM 1123 O HIS A 396 -2.257 7.464 7.583 1.00 0.22 O ATOM 1124 CB HIS A 396 0.657 7.447 6.174 1.00 0.24 C ATOM 1125 CG HIS A 396 2.091 7.700 6.537 1.00 0.58 C ATOM 1126 ND1 HIS A 396 2.436 8.680 7.438 1.00 1.29 N ATOM 1127 CD2 HIS A 396 3.214 7.054 6.134 1.00 0.53 C ATOM 1128 CE1 HIS A 396 3.750 8.605 7.568 1.00 1.63 C ATOM 1129 NE2 HIS A 396 4.262 7.635 6.801 1.00 1.17 N ATOM 0 H HIS A 396 0.887 4.962 6.286 1.00 0.20 H new ATOM 0 HA HIS A 396 0.150 7.000 8.197 1.00 0.19 H new ATOM 0 HB2 HIS A 396 0.612 6.955 5.202 1.00 0.24 H new ATOM 0 HB3 HIS A 396 0.137 8.399 6.073 1.00 0.24 H new ATOM 0 HD1 HIS A 396 1.808 9.331 7.909 1.00 1.29 H new ATOM 0 HD2 HIS A 396 3.271 6.241 5.426 1.00 0.53 H new ATOM 0 HE1 HIS A 396 4.335 9.245 8.211 1.00 1.63 H new ATOM 1137 N TYR A 397 -2.083 5.645 6.272 1.00 0.15 N ATOM 1138 CA TYR A 397 -3.511 5.578 5.960 1.00 0.15 C ATOM 1139 C TYR A 397 -4.329 5.340 7.223 1.00 0.18 C ATOM 1140 O TYR A 397 -5.499 5.724 7.300 1.00 0.19 O ATOM 1141 CB TYR A 397 -3.799 4.456 4.954 1.00 0.18 C ATOM 1142 CG TYR A 397 -3.207 4.676 3.578 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -2.203 5.610 3.358 1.00 0.20 C ATOM 1144 CD2 TYR A 397 -3.662 3.944 2.495 1.00 0.26 C ATOM 1145 CE1 TYR A 397 -1.683 5.814 2.105 1.00 0.22 C ATOM 1146 CE2 TYR A 397 -3.142 4.137 1.237 1.00 0.32 C ATOM 1147 CZ TYR A 397 -2.153 5.076 1.044 1.00 0.25 C ATOM 1148 OH TYR A 397 -1.662 5.297 -0.217 1.00 0.35 O ATOM 0 H TYR A 397 -1.531 4.887 5.870 1.00 0.15 H new ATOM 0 HA TYR A 397 -3.796 6.534 5.521 1.00 0.15 H new ATOM 0 HB2 TYR A 397 -3.414 3.519 5.355 1.00 0.18 H new ATOM 0 HB3 TYR A 397 -4.879 4.341 4.857 1.00 0.18 H new ATOM 0 HD1 TYR A 397 -1.824 6.187 4.189 1.00 0.20 H new ATOM 0 HD2 TYR A 397 -4.439 3.208 2.641 1.00 0.26 H new ATOM 0 HE1 TYR A 397 -0.908 6.551 1.953 1.00 0.22 H new ATOM 0 HE2 TYR A 397 -3.507 3.555 0.404 1.00 0.32 H new ATOM 0 HH TYR A 397 -0.815 5.787 -0.157 1.00 0.35 H new ATOM 1158 N TYR A 398 -3.703 4.702 8.205 1.00 0.24 N ATOM 1159 CA TYR A 398 -4.359 4.387 9.467 1.00 0.29 C ATOM 1160 C TYR A 398 -4.734 5.658 10.229 1.00 0.31 C ATOM 1161 O TYR A 398 -5.821 5.753 10.801 1.00 0.39 O ATOM 1162 CB TYR A 398 -3.455 3.492 10.320 1.00 0.33 C ATOM 1163 CG TYR A 398 -3.218 2.141 9.691 1.00 0.35 C ATOM 1164 CD1 TYR A 398 -4.289 1.356 9.299 1.00 0.41 C ATOM 1165 CD2 TYR A 398 -1.936 1.660 9.470 1.00 0.43 C ATOM 1166 CE1 TYR A 398 -4.097 0.131 8.703 1.00 0.48 C ATOM 1167 CE2 TYR A 398 -1.730 0.432 8.869 1.00 0.49 C ATOM 1168 CZ TYR A 398 -2.815 -0.331 8.488 1.00 0.50 C ATOM 1169 OH TYR A 398 -2.618 -1.555 7.887 1.00 0.60 O ATOM 0 H TYR A 398 -2.733 4.391 8.149 1.00 0.24 H new ATOM 0 HA TYR A 398 -5.282 3.849 9.248 1.00 0.29 H new ATOM 0 HB2 TYR A 398 -2.498 3.990 10.474 1.00 0.33 H new ATOM 0 HB3 TYR A 398 -3.906 3.357 11.303 1.00 0.33 H new ATOM 0 HD1 TYR A 398 -5.295 1.712 9.464 1.00 0.41 H new ATOM 0 HD2 TYR A 398 -1.086 2.254 9.772 1.00 0.43 H new ATOM 0 HE1 TYR A 398 -4.946 -0.466 8.405 1.00 0.48 H new ATOM 0 HE2 TYR A 398 -0.726 0.072 8.699 1.00 0.49 H new ATOM 0 HH TYR A 398 -1.657 -1.730 7.809 1.00 0.60 H new ATOM 1179 N LYS A 399 -3.836 6.639 10.215 1.00 0.28 N ATOM 1180 CA LYS A 399 -4.054 7.899 10.908 1.00 0.32 C ATOM 1181 C LYS A 399 -5.071 8.737 10.163 1.00 0.29 C ATOM 1182 O LYS A 399 -5.830 9.506 10.751 1.00 0.31 O ATOM 1183 CB LYS A 399 -2.740 8.662 11.012 1.00 0.37 C ATOM 1184 CG LYS A 399 -1.742 8.019 11.951 1.00 0.53 C ATOM 1185 CD LYS A 399 -1.190 6.708 11.428 1.00 0.68 C ATOM 1186 CE LYS A 399 -0.248 6.068 12.431 1.00 1.31 C ATOM 1187 NZ LYS A 399 0.922 6.936 12.734 1.00 1.98 N ATOM 0 H LYS A 399 -2.943 6.581 9.725 1.00 0.28 H new ATOM 0 HA LYS A 399 -4.433 7.690 11.908 1.00 0.32 H new ATOM 0 HB2 LYS A 399 -2.295 8.741 10.020 1.00 0.37 H new ATOM 0 HB3 LYS A 399 -2.944 9.677 11.351 1.00 0.37 H new ATOM 0 HG2 LYS A 399 -0.917 8.710 12.123 1.00 0.53 H new ATOM 0 HG3 LYS A 399 -2.219 7.846 12.915 1.00 0.53 H new ATOM 0 HD2 LYS A 399 -2.012 6.026 11.211 1.00 0.68 H new ATOM 0 HD3 LYS A 399 -0.663 6.881 10.490 1.00 0.68 H new ATOM 0 HE2 LYS A 399 -0.790 5.856 13.353 1.00 1.31 H new ATOM 0 HE3 LYS A 399 0.102 5.112 12.040 1.00 1.31 H new ATOM 0 HZ1 LYS A 399 1.635 6.388 13.257 1.00 1.98 H new ATOM 0 HZ2 LYS A 399 1.336 7.284 11.845 1.00 1.98 H new ATOM 0 HZ3 LYS A 399 0.614 7.744 13.312 1.00 1.98 H new ATOM 1201 N LEU A 400 -5.072 8.557 8.859 1.00 0.25 N ATOM 1202 CA LEU A 400 -5.972 9.268 7.966 1.00 0.23 C ATOM 1203 C LEU A 400 -7.379 8.692 8.018 1.00 0.22 C ATOM 1204 O LEU A 400 -8.318 9.278 7.475 1.00 0.26 O ATOM 1205 CB LEU A 400 -5.451 9.150 6.542 1.00 0.22 C ATOM 1206 CG LEU A 400 -4.022 9.620 6.344 1.00 0.25 C ATOM 1207 CD1 LEU A 400 -3.401 8.953 5.140 1.00 0.23 C ATOM 1208 CD2 LEU A 400 -4.002 11.108 6.164 1.00 0.36 C ATOM 0 H LEU A 400 -4.445 7.909 8.382 1.00 0.25 H new ATOM 0 HA LEU A 400 -6.013 10.310 8.283 1.00 0.23 H new ATOM 0 HB2 LEU A 400 -5.522 8.108 6.230 1.00 0.22 H new ATOM 0 HB3 LEU A 400 -6.102 9.725 5.884 1.00 0.22 H new ATOM 0 HG LEU A 400 -3.442 9.350 7.226 1.00 0.25 H new ATOM 0 HD11 LEU A 400 -2.377 9.305 5.017 1.00 0.23 H new ATOM 0 HD12 LEU A 400 -3.399 7.872 5.283 1.00 0.23 H new ATOM 0 HD13 LEU A 400 -3.979 9.200 4.249 1.00 0.23 H new ATOM 0 HD21 LEU A 400 -2.975 11.444 6.022 1.00 0.36 H new ATOM 0 HD22 LEU A 400 -4.596 11.377 5.290 1.00 0.36 H new ATOM 0 HD23 LEU A 400 -4.421 11.587 7.049 1.00 0.36 H new ATOM 1220 N ASN A 401 -7.503 7.531 8.663 1.00 0.22 N ATOM 1221 CA ASN A 401 -8.761 6.795 8.721 1.00 0.24 C ATOM 1222 C ASN A 401 -9.230 6.429 7.319 1.00 0.19 C ATOM 1223 O ASN A 401 -10.425 6.338 7.056 1.00 0.23 O ATOM 1224 CB ASN A 401 -9.853 7.585 9.459 1.00 0.33 C ATOM 1225 CG ASN A 401 -9.769 7.480 10.974 1.00 1.01 C ATOM 1226 OD1 ASN A 401 -10.792 7.535 11.668 1.00 1.77 O ATOM 1227 ND2 ASN A 401 -8.563 7.333 11.503 1.00 1.24 N ATOM 0 H ASN A 401 -6.735 7.078 9.158 1.00 0.22 H new ATOM 0 HA ASN A 401 -8.578 5.880 9.285 1.00 0.24 H new ATOM 0 HB2 ASN A 401 -9.785 8.635 9.173 1.00 0.33 H new ATOM 0 HB3 ASN A 401 -10.830 7.228 9.133 1.00 0.33 H new ATOM 0 HD21 ASN A 401 -8.455 7.261 12.515 1.00 1.24 H new ATOM 0 HD22 ASN A 401 -7.742 7.292 10.898 1.00 1.24 H new ATOM 1234 N ILE A 402 -8.275 6.240 6.417 1.00 0.15 N ATOM 1235 CA ILE A 402 -8.566 5.764 5.071 1.00 0.13 C ATOM 1236 C ILE A 402 -8.772 4.266 5.109 1.00 0.13 C ATOM 1237 O ILE A 402 -9.729 3.732 4.555 1.00 0.15 O ATOM 1238 CB ILE A 402 -7.407 6.088 4.107 1.00 0.12 C ATOM 1239 CG1 ILE A 402 -7.215 7.600 4.023 1.00 0.13 C ATOM 1240 CG2 ILE A 402 -7.652 5.490 2.722 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.976 8.008 3.264 1.00 0.14 C ATOM 0 H ILE A 402 -7.285 6.411 6.596 1.00 0.15 H new ATOM 0 HA ILE A 402 -9.466 6.265 4.714 1.00 0.13 H new ATOM 0 HB ILE A 402 -6.495 5.636 4.497 1.00 0.12 H new ATOM 0 HG12 ILE A 402 -8.088 8.043 3.543 1.00 0.13 H new ATOM 0 HG13 ILE A 402 -7.164 8.009 5.032 1.00 0.13 H new ATOM 0 HG21 ILE A 402 -6.817 5.736 2.066 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -7.742 4.407 2.804 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -8.573 5.900 2.306 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -5.903 9.095 3.244 1.00 0.14 H new ATOM 0 HD12 ILE A 402 -5.095 7.594 3.756 1.00 0.14 H new ATOM 0 HD13 ILE A 402 -6.033 7.629 2.243 1.00 0.14 H new ATOM 1253 N ILE A 403 -7.869 3.606 5.804 1.00 0.14 N ATOM 1254 CA ILE A 403 -7.878 2.168 5.923 1.00 0.14 C ATOM 1255 C ILE A 403 -7.611 1.783 7.366 1.00 0.17 C ATOM 1256 O ILE A 403 -6.756 2.374 8.020 1.00 0.26 O ATOM 1257 CB ILE A 403 -6.797 1.541 5.011 1.00 0.16 C ATOM 1258 CG1 ILE A 403 -7.145 1.775 3.542 1.00 0.16 C ATOM 1259 CG2 ILE A 403 -6.629 0.056 5.294 1.00 0.18 C ATOM 1260 CD1 ILE A 403 -6.027 1.413 2.595 1.00 0.20 C ATOM 0 H ILE A 403 -7.104 4.058 6.305 1.00 0.14 H new ATOM 0 HA ILE A 403 -8.854 1.794 5.614 1.00 0.14 H new ATOM 0 HB ILE A 403 -5.846 2.028 5.228 1.00 0.16 H new ATOM 0 HG12 ILE A 403 -8.029 1.190 3.288 1.00 0.16 H new ATOM 0 HG13 ILE A 403 -7.405 2.824 3.401 1.00 0.16 H new ATOM 0 HG21 ILE A 403 -5.863 -0.355 4.637 1.00 0.18 H new ATOM 0 HG22 ILE A 403 -6.330 -0.085 6.333 1.00 0.18 H new ATOM 0 HG23 ILE A 403 -7.574 -0.458 5.115 1.00 0.18 H new ATOM 0 HD11 ILE A 403 -6.343 1.604 1.569 1.00 0.20 H new ATOM 0 HD12 ILE A 403 -5.148 2.016 2.822 1.00 0.20 H new ATOM 0 HD13 ILE A 403 -5.782 0.357 2.708 1.00 0.20 H new ATOM 1272 N ARG A 404 -8.372 0.834 7.869 1.00 0.14 N ATOM 1273 CA ARG A 404 -8.128 0.282 9.189 1.00 0.18 C ATOM 1274 C ARG A 404 -8.267 -1.222 9.129 1.00 0.20 C ATOM 1275 O ARG A 404 -8.999 -1.746 8.292 1.00 0.28 O ATOM 1276 CB ARG A 404 -9.091 0.866 10.223 1.00 0.27 C ATOM 1277 CG ARG A 404 -10.549 0.661 9.907 1.00 0.45 C ATOM 1278 CD ARG A 404 -11.383 0.775 11.161 1.00 0.76 C ATOM 1279 NE ARG A 404 -12.808 0.921 10.874 1.00 1.16 N ATOM 1280 CZ ARG A 404 -13.764 0.197 11.458 1.00 1.23 C ATOM 1281 NH1 ARG A 404 -13.444 -0.799 12.275 1.00 1.04 N ATOM 1282 NH2 ARG A 404 -15.041 0.461 11.202 1.00 2.08 N ATOM 0 H ARG A 404 -9.170 0.425 7.382 1.00 0.14 H new ATOM 0 HA ARG A 404 -7.117 0.546 9.499 1.00 0.18 H new ATOM 0 HB2 ARG A 404 -8.877 0.418 11.193 1.00 0.27 H new ATOM 0 HB3 ARG A 404 -8.900 1.935 10.316 1.00 0.27 H new ATOM 0 HG2 ARG A 404 -10.876 1.401 9.177 1.00 0.45 H new ATOM 0 HG3 ARG A 404 -10.695 -0.320 9.454 1.00 0.45 H new ATOM 0 HD2 ARG A 404 -11.229 -0.110 11.778 1.00 0.76 H new ATOM 0 HD3 ARG A 404 -11.043 1.632 11.743 1.00 0.76 H new ATOM 0 HE ARG A 404 -13.089 1.619 10.185 1.00 1.16 H new ATOM 0 HH11 ARG A 404 -12.464 -1.013 12.458 1.00 1.04 H new ATOM 0 HH12 ARG A 404 -14.178 -1.350 12.719 1.00 1.04 H new ATOM 0 HH21 ARG A 404 -15.287 1.215 10.561 1.00 2.08 H new ATOM 0 HH22 ARG A 404 -15.775 -0.090 11.647 1.00 2.08 H new ATOM 1296 N LYS A 405 -7.549 -1.912 9.992 1.00 0.24 N ATOM 1297 CA LYS A 405 -7.579 -3.362 10.003 1.00 0.26 C ATOM 1298 C LYS A 405 -8.813 -3.864 10.725 1.00 0.27 C ATOM 1299 O LYS A 405 -9.144 -3.393 11.816 1.00 0.34 O ATOM 1300 CB LYS A 405 -6.322 -3.925 10.661 1.00 0.31 C ATOM 1301 CG LYS A 405 -5.047 -3.551 9.932 1.00 0.58 C ATOM 1302 CD LYS A 405 -3.825 -4.216 10.530 1.00 0.69 C ATOM 1303 CE LYS A 405 -3.728 -5.680 10.144 1.00 1.31 C ATOM 1304 NZ LYS A 405 -4.574 -6.567 10.991 1.00 1.73 N ATOM 0 H LYS A 405 -6.938 -1.494 10.694 1.00 0.24 H new ATOM 0 HA LYS A 405 -7.613 -3.706 8.969 1.00 0.26 H new ATOM 0 HB2 LYS A 405 -6.265 -3.564 11.688 1.00 0.31 H new ATOM 0 HB3 LYS A 405 -6.400 -5.011 10.709 1.00 0.31 H new ATOM 0 HG2 LYS A 405 -5.135 -3.834 8.883 1.00 0.58 H new ATOM 0 HG3 LYS A 405 -4.919 -2.469 9.961 1.00 0.58 H new ATOM 0 HD2 LYS A 405 -2.928 -3.693 10.197 1.00 0.69 H new ATOM 0 HD3 LYS A 405 -3.860 -4.129 11.616 1.00 0.69 H new ATOM 0 HE2 LYS A 405 -4.023 -5.795 9.101 1.00 1.31 H new ATOM 0 HE3 LYS A 405 -2.689 -6.001 10.218 1.00 1.31 H new ATOM 0 HZ1 LYS A 405 -4.011 -7.381 11.312 1.00 1.73 H new ATOM 0 HZ2 LYS A 405 -4.916 -6.035 11.817 1.00 1.73 H new ATOM 0 HZ3 LYS A 405 -5.386 -6.905 10.436 1.00 1.73 H new ATOM 1318 N GLU A 406 -9.496 -4.813 10.108 1.00 0.26 N ATOM 1319 CA GLU A 406 -10.674 -5.404 10.702 1.00 0.27 C ATOM 1320 C GLU A 406 -10.302 -6.258 11.901 1.00 0.29 C ATOM 1321 O GLU A 406 -9.337 -7.028 11.870 1.00 0.33 O ATOM 1322 CB GLU A 406 -11.444 -6.216 9.672 1.00 0.26 C ATOM 1323 CG GLU A 406 -12.445 -5.381 8.899 1.00 0.28 C ATOM 1324 CD GLU A 406 -13.641 -4.968 9.735 1.00 0.56 C ATOM 1325 OE1 GLU A 406 -14.301 -5.856 10.313 1.00 0.84 O ATOM 1326 OE2 GLU A 406 -13.927 -3.751 9.816 1.00 0.81 O ATOM 0 H GLU A 406 -9.250 -5.189 9.192 1.00 0.26 H new ATOM 0 HA GLU A 406 -11.322 -4.600 11.051 1.00 0.27 H new ATOM 0 HB2 GLU A 406 -10.741 -6.671 8.974 1.00 0.26 H new ATOM 0 HB3 GLU A 406 -11.967 -7.030 10.174 1.00 0.26 H new ATOM 0 HG2 GLU A 406 -11.949 -4.488 8.518 1.00 0.28 H new ATOM 0 HG3 GLU A 406 -12.791 -5.947 8.034 1.00 0.28 H new ATOM 1333 N PRO A 407 -11.083 -6.103 12.970 1.00 0.34 N ATOM 1334 CA PRO A 407 -10.845 -6.717 14.281 1.00 0.38 C ATOM 1335 C PRO A 407 -10.569 -8.217 14.225 1.00 0.41 C ATOM 1336 O PRO A 407 -11.444 -9.011 13.877 1.00 0.44 O ATOM 1337 CB PRO A 407 -12.160 -6.443 15.031 1.00 0.43 C ATOM 1338 CG PRO A 407 -13.131 -6.046 13.974 1.00 0.48 C ATOM 1339 CD PRO A 407 -12.305 -5.302 12.981 1.00 0.45 C ATOM 0 HA PRO A 407 -9.953 -6.305 14.753 1.00 0.38 H new ATOM 0 HB2 PRO A 407 -12.501 -7.329 15.567 1.00 0.43 H new ATOM 0 HB3 PRO A 407 -12.035 -5.651 15.770 1.00 0.43 H new ATOM 0 HG2 PRO A 407 -13.608 -6.917 13.523 1.00 0.48 H new ATOM 0 HG3 PRO A 407 -13.927 -5.421 14.379 1.00 0.48 H new ATOM 0 HD2 PRO A 407 -12.779 -5.261 12.000 1.00 0.45 H new ATOM 0 HD3 PRO A 407 -12.120 -4.273 13.289 1.00 0.45 H new ATOM 1347 N GLY A 408 -9.340 -8.587 14.565 1.00 0.51 N ATOM 1348 CA GLY A 408 -8.987 -9.985 14.695 1.00 0.60 C ATOM 1349 C GLY A 408 -8.795 -10.687 13.370 1.00 0.56 C ATOM 1350 O GLY A 408 -8.877 -11.916 13.300 1.00 0.66 O ATOM 0 H GLY A 408 -8.577 -7.937 14.754 1.00 0.51 H new ATOM 0 HA2 GLY A 408 -8.068 -10.067 15.276 1.00 0.60 H new ATOM 0 HA3 GLY A 408 -9.767 -10.497 15.258 1.00 0.60 H new ATOM 1354 N GLN A 409 -8.535 -9.927 12.317 1.00 0.53 N ATOM 1355 CA GLN A 409 -8.320 -10.512 11.003 1.00 0.52 C ATOM 1356 C GLN A 409 -6.966 -10.089 10.435 1.00 0.48 C ATOM 1357 O GLN A 409 -6.601 -8.913 10.494 1.00 0.62 O ATOM 1358 CB GLN A 409 -9.456 -10.122 10.060 1.00 0.67 C ATOM 1359 CG GLN A 409 -10.819 -10.616 10.521 1.00 0.77 C ATOM 1360 CD GLN A 409 -11.921 -10.308 9.531 1.00 0.90 C ATOM 1361 OE1 GLN A 409 -12.188 -11.092 8.625 1.00 1.81 O ATOM 1362 NE2 GLN A 409 -12.575 -9.172 9.699 1.00 1.10 N ATOM 0 H GLN A 409 -8.468 -8.910 12.346 1.00 0.53 H new ATOM 0 HA GLN A 409 -8.313 -11.597 11.103 1.00 0.52 H new ATOM 0 HB2 GLN A 409 -9.484 -9.036 9.966 1.00 0.67 H new ATOM 0 HB3 GLN A 409 -9.249 -10.523 9.068 1.00 0.67 H new ATOM 0 HG2 GLN A 409 -10.774 -11.693 10.684 1.00 0.77 H new ATOM 0 HG3 GLN A 409 -11.061 -10.158 11.480 1.00 0.77 H new ATOM 0 HE21 GLN A 409 -12.323 -8.547 10.465 1.00 1.10 H new ATOM 0 HE22 GLN A 409 -13.332 -8.920 9.063 1.00 1.10 H new ATOM 1371 N ARG A 410 -6.236 -11.068 9.890 1.00 0.44 N ATOM 1372 CA ARG A 410 -4.851 -10.883 9.432 1.00 0.41 C ATOM 1373 C ARG A 410 -4.632 -9.621 8.592 1.00 0.34 C ATOM 1374 O ARG A 410 -4.151 -8.609 9.103 1.00 0.49 O ATOM 1375 CB ARG A 410 -4.305 -12.128 8.684 1.00 0.45 C ATOM 1376 CG ARG A 410 -5.097 -12.673 7.476 1.00 0.57 C ATOM 1377 CD ARG A 410 -6.537 -13.034 7.804 1.00 0.62 C ATOM 1378 NE ARG A 410 -7.259 -13.574 6.650 1.00 0.96 N ATOM 1379 CZ ARG A 410 -8.152 -14.560 6.744 1.00 1.65 C ATOM 1380 NH1 ARG A 410 -8.395 -15.129 7.919 1.00 2.14 N ATOM 1381 NH2 ARG A 410 -8.794 -14.984 5.663 1.00 2.29 N ATOM 0 H ARG A 410 -6.589 -12.015 9.753 1.00 0.44 H new ATOM 0 HA ARG A 410 -4.280 -10.750 10.351 1.00 0.41 H new ATOM 0 HB2 ARG A 410 -3.298 -11.892 8.340 1.00 0.45 H new ATOM 0 HB3 ARG A 410 -4.212 -12.936 9.410 1.00 0.45 H new ATOM 0 HG2 ARG A 410 -5.090 -11.927 6.682 1.00 0.57 H new ATOM 0 HG3 ARG A 410 -4.589 -13.556 7.088 1.00 0.57 H new ATOM 0 HD2 ARG A 410 -6.549 -13.767 8.611 1.00 0.62 H new ATOM 0 HD3 ARG A 410 -7.055 -12.148 8.170 1.00 0.62 H new ATOM 0 HE ARG A 410 -7.070 -13.177 5.730 1.00 0.96 H new ATOM 0 HH11 ARG A 410 -7.898 -14.812 8.752 1.00 2.14 H new ATOM 0 HH12 ARG A 410 -9.078 -15.883 7.989 1.00 2.14 H new ATOM 0 HH21 ARG A 410 -8.605 -14.556 4.757 1.00 2.29 H new ATOM 0 HH22 ARG A 410 -9.476 -15.738 5.738 1.00 2.29 H new ATOM 1395 N LEU A 411 -4.975 -9.681 7.320 1.00 0.21 N ATOM 1396 CA LEU A 411 -4.773 -8.569 6.415 1.00 0.15 C ATOM 1397 C LEU A 411 -6.113 -8.117 5.898 1.00 0.11 C ATOM 1398 O LEU A 411 -6.249 -7.633 4.773 1.00 0.12 O ATOM 1399 CB LEU A 411 -3.842 -8.938 5.260 1.00 0.14 C ATOM 1400 CG LEU A 411 -2.384 -9.177 5.655 1.00 0.17 C ATOM 1401 CD1 LEU A 411 -1.966 -10.613 5.368 1.00 0.20 C ATOM 1402 CD2 LEU A 411 -1.482 -8.200 4.920 1.00 0.16 C ATOM 0 H LEU A 411 -5.401 -10.500 6.887 1.00 0.21 H new ATOM 0 HA LEU A 411 -4.291 -7.756 6.958 1.00 0.15 H new ATOM 0 HB2 LEU A 411 -4.224 -9.838 4.779 1.00 0.14 H new ATOM 0 HB3 LEU A 411 -3.875 -8.141 4.518 1.00 0.14 H new ATOM 0 HG LEU A 411 -2.286 -9.011 6.728 1.00 0.17 H new ATOM 0 HD11 LEU A 411 -0.925 -10.754 5.659 1.00 0.20 H new ATOM 0 HD12 LEU A 411 -2.597 -11.296 5.936 1.00 0.20 H new ATOM 0 HD13 LEU A 411 -2.076 -10.818 4.303 1.00 0.20 H new ATOM 0 HD21 LEU A 411 -0.445 -8.376 5.206 1.00 0.16 H new ATOM 0 HD22 LEU A 411 -1.591 -8.343 3.845 1.00 0.16 H new ATOM 0 HD23 LEU A 411 -1.762 -7.179 5.181 1.00 0.16 H new ATOM 1414 N LEU A 412 -7.113 -8.342 6.725 1.00 0.12 N ATOM 1415 CA LEU A 412 -8.440 -7.825 6.455 1.00 0.10 C ATOM 1416 C LEU A 412 -8.514 -6.378 6.863 1.00 0.09 C ATOM 1417 O LEU A 412 -8.284 -6.031 8.022 1.00 0.10 O ATOM 1418 CB LEU A 412 -9.511 -8.614 7.187 1.00 0.12 C ATOM 1419 CG LEU A 412 -10.650 -9.100 6.310 1.00 0.13 C ATOM 1420 CD1 LEU A 412 -10.970 -8.062 5.266 1.00 0.12 C ATOM 1421 CD2 LEU A 412 -10.277 -10.418 5.671 1.00 0.15 C ATOM 0 H LEU A 412 -7.033 -8.879 7.589 1.00 0.12 H new ATOM 0 HA LEU A 412 -8.623 -7.922 5.385 1.00 0.10 H new ATOM 0 HB2 LEU A 412 -9.045 -9.476 7.665 1.00 0.12 H new ATOM 0 HB3 LEU A 412 -9.922 -7.992 7.982 1.00 0.12 H new ATOM 0 HG LEU A 412 -11.540 -9.256 6.920 1.00 0.13 H new ATOM 0 HD11 LEU A 412 -11.788 -8.416 4.639 1.00 0.12 H new ATOM 0 HD12 LEU A 412 -11.263 -7.133 5.755 1.00 0.12 H new ATOM 0 HD13 LEU A 412 -10.090 -7.885 4.648 1.00 0.12 H new ATOM 0 HD21 LEU A 412 -11.098 -10.763 5.042 1.00 0.15 H new ATOM 0 HD22 LEU A 412 -9.383 -10.287 5.061 1.00 0.15 H new ATOM 0 HD23 LEU A 412 -10.080 -11.156 6.448 1.00 0.15 H new ATOM 1433 N PHE A 413 -8.827 -5.545 5.900 1.00 0.09 N ATOM 1434 CA PHE A 413 -8.807 -4.107 6.097 1.00 0.10 C ATOM 1435 C PHE A 413 -10.143 -3.511 5.708 1.00 0.09 C ATOM 1436 O PHE A 413 -11.054 -4.222 5.283 1.00 0.10 O ATOM 1437 CB PHE A 413 -7.706 -3.437 5.270 1.00 0.12 C ATOM 1438 CG PHE A 413 -6.329 -4.015 5.445 1.00 0.11 C ATOM 1439 CD1 PHE A 413 -5.983 -4.722 6.583 1.00 0.12 C ATOM 1440 CD2 PHE A 413 -5.381 -3.849 4.457 1.00 0.12 C ATOM 1441 CE1 PHE A 413 -4.720 -5.253 6.730 1.00 0.13 C ATOM 1442 CE2 PHE A 413 -4.118 -4.375 4.598 1.00 0.13 C ATOM 1443 CZ PHE A 413 -3.786 -5.079 5.737 1.00 0.14 C ATOM 0 H PHE A 413 -9.102 -5.837 4.962 1.00 0.09 H new ATOM 0 HA PHE A 413 -8.606 -3.927 7.153 1.00 0.10 H new ATOM 0 HB2 PHE A 413 -7.977 -3.500 4.216 1.00 0.12 H new ATOM 0 HB3 PHE A 413 -7.673 -2.379 5.529 1.00 0.12 H new ATOM 0 HD1 PHE A 413 -6.713 -4.860 7.367 1.00 0.12 H new ATOM 0 HD2 PHE A 413 -5.633 -3.300 3.562 1.00 0.12 H new ATOM 0 HE1 PHE A 413 -4.465 -5.804 7.623 1.00 0.13 H new ATOM 0 HE2 PHE A 413 -3.386 -4.237 3.816 1.00 0.13 H new ATOM 0 HZ PHE A 413 -2.794 -5.492 5.848 1.00 0.14 H new ATOM 1453 N ARG A 414 -10.240 -2.202 5.826 1.00 0.11 N ATOM 1454 CA ARG A 414 -11.487 -1.512 5.597 1.00 0.10 C ATOM 1455 C ARG A 414 -11.243 -0.106 5.064 1.00 0.09 C ATOM 1456 O ARG A 414 -10.605 0.712 5.730 1.00 0.12 O ATOM 1457 CB ARG A 414 -12.246 -1.452 6.916 1.00 0.16 C ATOM 1458 CG ARG A 414 -13.623 -0.835 6.827 1.00 0.22 C ATOM 1459 CD ARG A 414 -14.328 -0.968 8.163 1.00 0.35 C ATOM 1460 NE ARG A 414 -15.760 -0.708 8.085 1.00 0.99 N ATOM 1461 CZ ARG A 414 -16.667 -1.391 8.782 1.00 1.11 C ATOM 1462 NH1 ARG A 414 -16.292 -2.410 9.550 1.00 1.13 N ATOM 1463 NH2 ARG A 414 -17.950 -1.070 8.693 1.00 2.09 N ATOM 0 H ARG A 414 -9.462 -1.594 6.081 1.00 0.11 H new ATOM 0 HA ARG A 414 -12.070 -2.049 4.849 1.00 0.10 H new ATOM 0 HB2 ARG A 414 -12.341 -2.464 7.311 1.00 0.16 H new ATOM 0 HB3 ARG A 414 -11.654 -0.884 7.634 1.00 0.16 H new ATOM 0 HG2 ARG A 414 -13.544 0.216 6.549 1.00 0.22 H new ATOM 0 HG3 ARG A 414 -14.204 -1.328 6.047 1.00 0.22 H new ATOM 0 HD2 ARG A 414 -14.169 -1.974 8.552 1.00 0.35 H new ATOM 0 HD3 ARG A 414 -13.878 -0.276 8.875 1.00 0.35 H new ATOM 0 HE ARG A 414 -16.084 0.035 7.465 1.00 0.99 H new ATOM 0 HH11 ARG A 414 -15.307 -2.671 9.607 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -16.989 -2.931 10.082 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -18.243 -0.300 8.091 1.00 2.09 H new ATOM 0 HH22 ARG A 414 -18.645 -1.593 9.226 1.00 2.09 H new ATOM 1477 N PHE A 415 -11.738 0.159 3.861 1.00 0.10 N ATOM 1478 CA PHE A 415 -11.682 1.497 3.288 1.00 0.11 C ATOM 1479 C PHE A 415 -12.763 2.369 3.910 1.00 0.12 C ATOM 1480 O PHE A 415 -13.919 2.339 3.495 1.00 0.18 O ATOM 1481 CB PHE A 415 -11.858 1.469 1.766 1.00 0.14 C ATOM 1482 CG PHE A 415 -10.586 1.248 0.990 1.00 0.15 C ATOM 1483 CD1 PHE A 415 -9.691 2.289 0.813 1.00 0.17 C ATOM 1484 CD2 PHE A 415 -10.291 0.014 0.424 1.00 0.17 C ATOM 1485 CE1 PHE A 415 -8.529 2.111 0.091 1.00 0.20 C ATOM 1486 CE2 PHE A 415 -9.124 -0.171 -0.301 1.00 0.20 C ATOM 1487 CZ PHE A 415 -8.243 0.881 -0.465 1.00 0.21 C ATOM 0 H PHE A 415 -12.183 -0.537 3.263 1.00 0.10 H new ATOM 0 HA PHE A 415 -10.698 1.912 3.506 1.00 0.11 H new ATOM 0 HB2 PHE A 415 -12.566 0.680 1.510 1.00 0.14 H new ATOM 0 HB3 PHE A 415 -12.303 2.412 1.448 1.00 0.14 H new ATOM 0 HD1 PHE A 415 -9.906 3.255 1.246 1.00 0.17 H new ATOM 0 HD2 PHE A 415 -10.978 -0.810 0.550 1.00 0.17 H new ATOM 0 HE1 PHE A 415 -7.843 2.935 -0.039 1.00 0.20 H new ATOM 0 HE2 PHE A 415 -8.904 -1.135 -0.736 1.00 0.20 H new ATOM 0 HZ PHE A 415 -7.332 0.741 -1.028 1.00 0.21 H new ATOM 1497 N MET A 416 -12.380 3.137 4.913 1.00 0.14 N ATOM 1498 CA MET A 416 -13.318 4.006 5.608 1.00 0.17 C ATOM 1499 C MET A 416 -13.676 5.206 4.738 1.00 0.20 C ATOM 1500 O MET A 416 -14.731 5.820 4.908 1.00 0.29 O ATOM 1501 CB MET A 416 -12.732 4.477 6.938 1.00 0.23 C ATOM 1502 CG MET A 416 -12.488 3.362 7.943 1.00 0.30 C ATOM 1503 SD MET A 416 -14.014 2.602 8.535 1.00 1.30 S ATOM 1504 CE MET A 416 -14.808 4.003 9.321 1.00 1.23 C ATOM 0 H MET A 416 -11.424 3.178 5.267 1.00 0.14 H new ATOM 0 HA MET A 416 -14.225 3.436 5.811 1.00 0.17 H new ATOM 0 HB2 MET A 416 -11.790 4.990 6.745 1.00 0.23 H new ATOM 0 HB3 MET A 416 -13.408 5.208 7.381 1.00 0.23 H new ATOM 0 HG2 MET A 416 -11.862 2.597 7.484 1.00 0.30 H new ATOM 0 HG3 MET A 416 -11.933 3.761 8.793 1.00 0.30 H new ATOM 0 HE1 MET A 416 -15.548 3.647 10.038 1.00 1.23 H new ATOM 0 HE2 MET A 416 -14.059 4.602 9.839 1.00 1.23 H new ATOM 0 HE3 MET A 416 -15.301 4.614 8.564 1.00 1.23 H new ATOM 1514 N LYS A 417 -12.791 5.536 3.805 1.00 0.18 N ATOM 1515 CA LYS A 417 -13.050 6.605 2.855 1.00 0.21 C ATOM 1516 C LYS A 417 -12.391 6.284 1.517 1.00 0.22 C ATOM 1517 O LYS A 417 -11.380 5.584 1.464 1.00 0.26 O ATOM 1518 CB LYS A 417 -12.551 7.954 3.386 1.00 0.22 C ATOM 1519 CG LYS A 417 -11.042 8.119 3.364 1.00 0.18 C ATOM 1520 CD LYS A 417 -10.632 9.563 3.618 1.00 0.20 C ATOM 1521 CE LYS A 417 -10.563 9.898 5.102 1.00 0.36 C ATOM 1522 NZ LYS A 417 -11.906 9.992 5.731 1.00 0.61 N ATOM 0 H LYS A 417 -11.888 5.077 3.688 1.00 0.18 H new ATOM 0 HA LYS A 417 -14.128 6.681 2.713 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -13.000 8.752 2.794 1.00 0.22 H new ATOM 0 HB3 LYS A 417 -12.903 8.080 4.410 1.00 0.22 H new ATOM 0 HG2 LYS A 417 -10.594 7.475 4.120 1.00 0.18 H new ATOM 0 HG3 LYS A 417 -10.654 7.795 2.398 1.00 0.18 H new ATOM 0 HD2 LYS A 417 -9.659 9.747 3.162 1.00 0.20 H new ATOM 0 HD3 LYS A 417 -11.343 10.230 3.131 1.00 0.20 H new ATOM 0 HE2 LYS A 417 -9.978 9.135 5.616 1.00 0.36 H new ATOM 0 HE3 LYS A 417 -10.038 10.844 5.233 1.00 0.36 H new ATOM 0 HZ1 LYS A 417 -11.896 10.733 6.461 1.00 0.61 H new ATOM 0 HZ2 LYS A 417 -12.613 10.230 5.006 1.00 0.61 H new ATOM 0 HZ3 LYS A 417 -12.150 9.080 6.167 1.00 0.61 H new ATOM 1536 N THR A 418 -12.977 6.795 0.446 1.00 0.24 N ATOM 1537 CA THR A 418 -12.517 6.502 -0.902 1.00 0.26 C ATOM 1538 C THR A 418 -11.612 7.609 -1.443 1.00 0.23 C ATOM 1539 O THR A 418 -11.499 8.667 -0.824 1.00 0.21 O ATOM 1540 CB THR A 418 -13.718 6.312 -1.847 1.00 0.34 C ATOM 1541 OG1 THR A 418 -14.626 7.418 -1.723 1.00 0.37 O ATOM 1542 CG2 THR A 418 -14.436 5.008 -1.545 1.00 0.40 C ATOM 0 H THR A 418 -13.781 7.421 0.486 1.00 0.24 H new ATOM 0 HA THR A 418 -11.937 5.580 -0.855 1.00 0.26 H new ATOM 0 HB THR A 418 -13.348 6.272 -2.871 1.00 0.34 H new ATOM 0 HG1 THR A 418 -14.918 7.498 -0.791 1.00 0.37 H new ATOM 0 HG21 THR A 418 -15.281 4.893 -2.223 1.00 0.40 H new ATOM 0 HG22 THR A 418 -13.747 4.174 -1.678 1.00 0.40 H new ATOM 0 HG23 THR A 418 -14.796 5.020 -0.516 1.00 0.40 H new ATOM 1550 N PRO A 419 -10.952 7.372 -2.600 1.00 0.24 N ATOM 1551 CA PRO A 419 -10.092 8.363 -3.270 1.00 0.24 C ATOM 1552 C PRO A 419 -10.681 9.768 -3.253 1.00 0.28 C ATOM 1553 O PRO A 419 -10.020 10.719 -2.840 1.00 0.28 O ATOM 1554 CB PRO A 419 -10.054 7.838 -4.699 1.00 0.29 C ATOM 1555 CG PRO A 419 -10.122 6.361 -4.551 1.00 0.30 C ATOM 1556 CD PRO A 419 -10.992 6.101 -3.350 1.00 0.28 C ATOM 0 HA PRO A 419 -9.121 8.461 -2.785 1.00 0.24 H new ATOM 0 HB2 PRO A 419 -10.891 8.218 -5.284 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -9.142 8.145 -5.211 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -10.543 5.899 -5.444 1.00 0.30 H new ATOM 0 HG3 PRO A 419 -9.128 5.937 -4.411 1.00 0.30 H new ATOM 0 HD2 PRO A 419 -12.010 5.842 -3.643 1.00 0.28 H new ATOM 0 HD3 PRO A 419 -10.611 5.273 -2.753 1.00 0.28 H new ATOM 1564 N ASP A 420 -11.931 9.869 -3.692 1.00 0.34 N ATOM 1565 CA ASP A 420 -12.655 11.145 -3.745 1.00 0.43 C ATOM 1566 C ASP A 420 -12.593 11.882 -2.407 1.00 0.40 C ATOM 1567 O ASP A 420 -12.385 13.097 -2.357 1.00 0.44 O ATOM 1568 CB ASP A 420 -14.116 10.886 -4.123 1.00 0.55 C ATOM 1569 CG ASP A 420 -14.937 12.156 -4.193 1.00 0.73 C ATOM 1570 OD1 ASP A 420 -14.827 12.885 -5.203 1.00 0.84 O ATOM 1571 OD2 ASP A 420 -15.715 12.420 -3.254 1.00 0.85 O ATOM 0 H ASP A 420 -12.475 9.072 -4.022 1.00 0.34 H new ATOM 0 HA ASP A 420 -12.179 11.775 -4.497 1.00 0.43 H new ATOM 0 HB2 ASP A 420 -14.153 10.381 -5.088 1.00 0.55 H new ATOM 0 HB3 ASP A 420 -14.561 10.210 -3.393 1.00 0.55 H new ATOM 1576 N GLU A 421 -12.752 11.126 -1.332 1.00 0.35 N ATOM 1577 CA GLU A 421 -12.726 11.664 0.021 1.00 0.35 C ATOM 1578 C GLU A 421 -11.308 12.041 0.441 1.00 0.32 C ATOM 1579 O GLU A 421 -11.091 13.043 1.122 1.00 0.37 O ATOM 1580 CB GLU A 421 -13.299 10.625 0.982 1.00 0.34 C ATOM 1581 CG GLU A 421 -14.798 10.437 0.833 1.00 0.42 C ATOM 1582 CD GLU A 421 -15.292 9.176 1.504 1.00 0.42 C ATOM 1583 OE1 GLU A 421 -15.298 8.112 0.854 1.00 0.38 O ATOM 1584 OE2 GLU A 421 -15.689 9.248 2.685 1.00 0.51 O ATOM 0 H GLU A 421 -12.903 10.118 -1.373 1.00 0.35 H new ATOM 0 HA GLU A 421 -13.331 12.570 0.049 1.00 0.35 H new ATOM 0 HB2 GLU A 421 -12.801 9.670 0.814 1.00 0.34 H new ATOM 0 HB3 GLU A 421 -13.077 10.925 2.006 1.00 0.34 H new ATOM 0 HG2 GLU A 421 -15.313 11.298 1.260 1.00 0.42 H new ATOM 0 HG3 GLU A 421 -15.054 10.405 -0.226 1.00 0.42 H new ATOM 1591 N ILE A 422 -10.343 11.237 0.018 1.00 0.26 N ATOM 1592 CA ILE A 422 -8.948 11.424 0.406 1.00 0.24 C ATOM 1593 C ILE A 422 -8.338 12.642 -0.284 1.00 0.29 C ATOM 1594 O ILE A 422 -7.529 13.371 0.305 1.00 0.32 O ATOM 1595 CB ILE A 422 -8.112 10.177 0.056 1.00 0.19 C ATOM 1596 CG1 ILE A 422 -8.779 8.923 0.621 1.00 0.18 C ATOM 1597 CG2 ILE A 422 -6.697 10.316 0.600 1.00 0.24 C ATOM 1598 CD1 ILE A 422 -8.205 7.634 0.086 1.00 0.18 C ATOM 0 H ILE A 422 -10.501 10.441 -0.600 1.00 0.26 H new ATOM 0 HA ILE A 422 -8.932 11.583 1.484 1.00 0.24 H new ATOM 0 HB ILE A 422 -8.056 10.086 -1.029 1.00 0.19 H new ATOM 0 HG12 ILE A 422 -8.683 8.930 1.707 1.00 0.18 H new ATOM 0 HG13 ILE A 422 -9.845 8.957 0.395 1.00 0.18 H new ATOM 0 HG21 ILE A 422 -6.120 9.427 0.344 1.00 0.24 H new ATOM 0 HG22 ILE A 422 -6.223 11.195 0.162 1.00 0.24 H new ATOM 0 HG23 ILE A 422 -6.733 10.426 1.684 1.00 0.24 H new ATOM 0 HD11 ILE A 422 -8.729 6.789 0.533 1.00 0.18 H new ATOM 0 HD12 ILE A 422 -8.325 7.604 -0.997 1.00 0.18 H new ATOM 0 HD13 ILE A 422 -7.145 7.577 0.335 1.00 0.18 H new ATOM 1610 N MET A 423 -8.753 12.878 -1.524 1.00 0.36 N ATOM 1611 CA MET A 423 -8.209 13.967 -2.328 1.00 0.46 C ATOM 1612 C MET A 423 -8.643 15.325 -1.791 1.00 0.55 C ATOM 1613 O MET A 423 -8.211 16.365 -2.289 1.00 0.71 O ATOM 1614 CB MET A 423 -8.651 13.820 -3.782 1.00 0.56 C ATOM 1615 CG MET A 423 -8.227 12.505 -4.413 1.00 0.59 C ATOM 1616 SD MET A 423 -8.821 12.313 -6.104 1.00 0.83 S ATOM 1617 CE MET A 423 -8.411 10.595 -6.402 1.00 1.83 C ATOM 0 H MET A 423 -9.469 12.326 -1.997 1.00 0.36 H new ATOM 0 HA MET A 423 -7.122 13.911 -2.272 1.00 0.46 H new ATOM 0 HB2 MET A 423 -9.736 13.906 -3.834 1.00 0.56 H new ATOM 0 HB3 MET A 423 -8.238 14.644 -4.364 1.00 0.56 H new ATOM 0 HG2 MET A 423 -7.139 12.439 -4.406 1.00 0.59 H new ATOM 0 HG3 MET A 423 -8.600 11.680 -3.806 1.00 0.59 H new ATOM 0 HE1 MET A 423 -9.135 10.163 -7.092 1.00 1.83 H new ATOM 0 HE2 MET A 423 -7.413 10.529 -6.835 1.00 1.83 H new ATOM 0 HE3 MET A 423 -8.435 10.047 -5.460 1.00 1.83 H new ATOM 1627 N SER A 424 -9.488 15.310 -0.767 1.00 0.60 N ATOM 1628 CA SER A 424 -9.974 16.535 -0.155 1.00 0.72 C ATOM 1629 C SER A 424 -8.845 17.274 0.568 1.00 0.74 C ATOM 1630 O SER A 424 -8.941 18.475 0.824 1.00 0.94 O ATOM 1631 CB SER A 424 -11.115 16.221 0.814 1.00 1.07 C ATOM 1632 OG SER A 424 -11.741 17.406 1.276 1.00 1.70 O ATOM 0 H SER A 424 -9.851 14.456 -0.343 1.00 0.60 H new ATOM 0 HA SER A 424 -10.350 17.187 -0.944 1.00 0.72 H new ATOM 0 HB2 SER A 424 -11.851 15.588 0.319 1.00 1.07 H new ATOM 0 HB3 SER A 424 -10.729 15.657 1.663 1.00 1.07 H new ATOM 0 HG SER A 424 -12.467 17.174 1.892 1.00 1.70 H new ATOM 1638 N GLY A 425 -7.769 16.563 0.890 1.00 0.81 N ATOM 1639 CA GLY A 425 -6.640 17.219 1.520 1.00 1.23 C ATOM 1640 C GLY A 425 -5.847 16.324 2.450 1.00 0.79 C ATOM 1641 O GLY A 425 -5.278 16.796 3.429 1.00 1.10 O ATOM 0 H GLY A 425 -7.659 15.562 0.729 1.00 0.81 H new ATOM 0 HA2 GLY A 425 -5.975 17.600 0.745 1.00 1.23 H new ATOM 0 HA3 GLY A 425 -7.001 18.081 2.082 1.00 1.23 H new ATOM 1645 N ARG A 426 -5.813 15.031 2.164 1.00 0.59 N ATOM 1646 CA ARG A 426 -4.955 14.118 2.915 1.00 0.47 C ATOM 1647 C ARG A 426 -3.821 13.636 2.029 1.00 0.40 C ATOM 1648 O ARG A 426 -2.837 13.066 2.496 1.00 0.47 O ATOM 1649 CB ARG A 426 -5.742 12.906 3.421 1.00 0.94 C ATOM 1650 CG ARG A 426 -6.842 13.236 4.406 1.00 1.03 C ATOM 1651 CD ARG A 426 -6.343 14.091 5.556 1.00 1.41 C ATOM 1652 NE ARG A 426 -7.437 14.498 6.434 1.00 1.79 N ATOM 1653 CZ ARG A 426 -7.583 15.727 6.927 1.00 2.26 C ATOM 1654 NH1 ARG A 426 -6.651 16.651 6.724 1.00 2.43 N ATOM 1655 NH2 ARG A 426 -8.657 16.026 7.641 1.00 2.85 N ATOM 0 H ARG A 426 -6.362 14.591 1.426 1.00 0.59 H new ATOM 0 HA ARG A 426 -4.559 14.660 3.774 1.00 0.47 H new ATOM 0 HB2 ARG A 426 -6.180 12.391 2.566 1.00 0.94 H new ATOM 0 HB3 ARG A 426 -5.048 12.209 3.891 1.00 0.94 H new ATOM 0 HG2 ARG A 426 -7.646 13.759 3.888 1.00 1.03 H new ATOM 0 HG3 ARG A 426 -7.265 12.312 4.799 1.00 1.03 H new ATOM 0 HD2 ARG A 426 -5.602 13.534 6.130 1.00 1.41 H new ATOM 0 HD3 ARG A 426 -5.842 14.976 5.163 1.00 1.41 H new ATOM 0 HE ARG A 426 -8.134 13.797 6.686 1.00 1.79 H new ATOM 0 HH11 ARG A 426 -5.815 16.422 6.187 1.00 2.43 H new ATOM 0 HH12 ARG A 426 -6.772 17.589 7.105 1.00 2.43 H new ATOM 0 HH21 ARG A 426 -9.369 15.316 7.812 1.00 2.85 H new ATOM 0 HH22 ARG A 426 -8.772 16.966 8.020 1.00 2.85 H new ATOM 1669 N THR A 427 -3.966 13.893 0.742 1.00 0.36 N ATOM 1670 CA THR A 427 -3.093 13.324 -0.261 1.00 0.33 C ATOM 1671 C THR A 427 -1.717 13.984 -0.293 1.00 0.37 C ATOM 1672 O THR A 427 -0.762 13.383 -0.766 1.00 0.38 O ATOM 1673 CB THR A 427 -3.745 13.428 -1.646 1.00 0.35 C ATOM 1674 OG1 THR A 427 -4.240 14.759 -1.847 1.00 0.48 O ATOM 1675 CG2 THR A 427 -4.895 12.443 -1.772 1.00 0.33 C ATOM 0 H THR A 427 -4.693 14.502 0.366 1.00 0.36 H new ATOM 0 HA THR A 427 -2.944 12.278 0.008 1.00 0.33 H new ATOM 0 HB THR A 427 -2.994 13.193 -2.400 1.00 0.35 H new ATOM 0 HG1 THR A 427 -4.654 14.824 -2.733 1.00 0.48 H new ATOM 0 HG21 THR A 427 -5.344 12.533 -2.761 1.00 0.33 H new ATOM 0 HG22 THR A 427 -4.522 11.428 -1.633 1.00 0.33 H new ATOM 0 HG23 THR A 427 -5.645 12.661 -1.012 1.00 0.33 H new ATOM 1683 N ASP A 428 -1.607 15.199 0.229 1.00 0.45 N ATOM 1684 CA ASP A 428 -0.356 15.951 0.138 1.00 0.54 C ATOM 1685 C ASP A 428 0.760 15.268 0.923 1.00 0.55 C ATOM 1686 O ASP A 428 1.876 15.123 0.425 1.00 0.59 O ATOM 1687 CB ASP A 428 -0.545 17.397 0.622 1.00 0.67 C ATOM 1688 CG ASP A 428 -0.791 17.509 2.116 1.00 1.23 C ATOM 1689 OD1 ASP A 428 -1.899 17.154 2.572 1.00 1.53 O ATOM 1690 OD2 ASP A 428 0.119 17.959 2.841 1.00 1.76 O ATOM 0 H ASP A 428 -2.360 15.684 0.716 1.00 0.45 H new ATOM 0 HA ASP A 428 -0.065 15.975 -0.912 1.00 0.54 H new ATOM 0 HB2 ASP A 428 0.341 17.977 0.363 1.00 0.67 H new ATOM 0 HB3 ASP A 428 -1.385 17.843 0.089 1.00 0.67 H new ATOM 1695 N ARG A 429 0.447 14.826 2.131 1.00 0.54 N ATOM 1696 CA ARG A 429 1.426 14.143 2.970 1.00 0.58 C ATOM 1697 C ARG A 429 1.681 12.748 2.430 1.00 0.45 C ATOM 1698 O ARG A 429 2.747 12.187 2.626 1.00 0.46 O ATOM 1699 CB ARG A 429 0.935 14.078 4.418 1.00 0.72 C ATOM 1700 CG ARG A 429 2.021 13.699 5.416 1.00 0.88 C ATOM 1701 CD ARG A 429 1.553 13.877 6.853 1.00 1.22 C ATOM 1702 NE ARG A 429 0.615 12.834 7.275 1.00 1.86 N ATOM 1703 CZ ARG A 429 -0.647 13.064 7.641 1.00 2.48 C ATOM 1704 NH1 ARG A 429 -1.173 14.275 7.500 1.00 2.68 N ATOM 1705 NH2 ARG A 429 -1.387 12.074 8.129 1.00 3.43 N ATOM 0 H ARG A 429 -0.476 14.927 2.554 1.00 0.54 H new ATOM 0 HA ARG A 429 2.361 14.703 2.953 1.00 0.58 H new ATOM 0 HB2 ARG A 429 0.521 15.047 4.696 1.00 0.72 H new ATOM 0 HB3 ARG A 429 0.123 13.353 4.485 1.00 0.72 H new ATOM 0 HG2 ARG A 429 2.317 12.662 5.256 1.00 0.88 H new ATOM 0 HG3 ARG A 429 2.905 14.313 5.243 1.00 0.88 H new ATOM 0 HD2 ARG A 429 2.418 13.872 7.516 1.00 1.22 H new ATOM 0 HD3 ARG A 429 1.077 14.852 6.958 1.00 1.22 H new ATOM 0 HE ARG A 429 0.948 11.870 7.290 1.00 1.86 H new ATOM 0 HH11 ARG A 429 -0.612 15.033 7.111 1.00 2.68 H new ATOM 0 HH12 ARG A 429 -2.138 14.448 7.781 1.00 2.68 H new ATOM 0 HH21 ARG A 429 -0.990 11.139 8.223 1.00 3.43 H new ATOM 0 HH22 ARG A 429 -2.352 12.249 8.409 1.00 3.43 H new ATOM 1719 N LEU A 430 0.696 12.210 1.724 1.00 0.38 N ATOM 1720 CA LEU A 430 0.803 10.888 1.135 1.00 0.32 C ATOM 1721 C LEU A 430 1.688 10.911 -0.097 1.00 0.30 C ATOM 1722 O LEU A 430 2.629 10.135 -0.205 1.00 0.33 O ATOM 1723 CB LEU A 430 -0.576 10.389 0.758 1.00 0.31 C ATOM 1724 CG LEU A 430 -1.523 10.189 1.926 1.00 0.42 C ATOM 1725 CD1 LEU A 430 -2.902 9.837 1.409 1.00 0.70 C ATOM 1726 CD2 LEU A 430 -0.990 9.103 2.854 1.00 0.61 C ATOM 0 H LEU A 430 -0.193 12.677 1.546 1.00 0.38 H new ATOM 0 HA LEU A 430 1.252 10.219 1.869 1.00 0.32 H new ATOM 0 HB2 LEU A 430 -1.025 11.097 0.062 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -0.472 9.443 0.227 1.00 0.31 H new ATOM 0 HG LEU A 430 -1.595 11.114 2.498 1.00 0.42 H new ATOM 0 HD11 LEU A 430 -3.580 9.694 2.250 1.00 0.70 H new ATOM 0 HD12 LEU A 430 -3.272 10.646 0.778 1.00 0.70 H new ATOM 0 HD13 LEU A 430 -2.848 8.918 0.826 1.00 0.70 H new ATOM 0 HD21 LEU A 430 -1.678 8.968 3.689 1.00 0.61 H new ATOM 0 HD22 LEU A 430 -0.899 8.167 2.304 1.00 0.61 H new ATOM 0 HD23 LEU A 430 -0.012 9.397 3.234 1.00 0.61 H new ATOM 1738 N GLU A 431 1.383 11.818 -1.017 1.00 0.31 N ATOM 1739 CA GLU A 431 2.176 11.983 -2.228 1.00 0.35 C ATOM 1740 C GLU A 431 3.622 12.289 -1.868 1.00 0.39 C ATOM 1741 O GLU A 431 4.559 11.852 -2.538 1.00 0.44 O ATOM 1742 CB GLU A 431 1.625 13.116 -3.085 1.00 0.39 C ATOM 1743 CG GLU A 431 0.222 12.893 -3.615 1.00 0.50 C ATOM 1744 CD GLU A 431 0.065 13.450 -5.012 1.00 1.35 C ATOM 1745 OE1 GLU A 431 0.416 14.626 -5.235 1.00 2.30 O ATOM 1746 OE2 GLU A 431 -0.438 12.721 -5.894 1.00 1.54 O ATOM 0 H GLU A 431 0.588 12.453 -0.946 1.00 0.31 H new ATOM 0 HA GLU A 431 2.126 11.053 -2.794 1.00 0.35 H new ATOM 0 HB2 GLU A 431 1.634 14.034 -2.497 1.00 0.39 H new ATOM 0 HB3 GLU A 431 2.296 13.272 -3.930 1.00 0.39 H new ATOM 0 HG2 GLU A 431 -0.001 11.826 -3.620 1.00 0.50 H new ATOM 0 HG3 GLU A 431 -0.500 13.367 -2.949 1.00 0.50 H new ATOM 1753 N HIS A 432 3.781 13.042 -0.792 1.00 0.39 N ATOM 1754 CA HIS A 432 5.091 13.431 -0.307 1.00 0.45 C ATOM 1755 C HIS A 432 5.766 12.251 0.388 1.00 0.44 C ATOM 1756 O HIS A 432 6.984 12.087 0.322 1.00 0.52 O ATOM 1757 CB HIS A 432 4.948 14.609 0.661 1.00 0.50 C ATOM 1758 CG HIS A 432 6.153 15.490 0.723 1.00 0.55 C ATOM 1759 ND1 HIS A 432 6.479 16.374 -0.279 1.00 0.87 N ATOM 1760 CD2 HIS A 432 7.107 15.631 1.673 1.00 0.70 C ATOM 1761 CE1 HIS A 432 7.577 17.023 0.049 1.00 0.91 C ATOM 1762 NE2 HIS A 432 7.980 16.593 1.228 1.00 0.77 N ATOM 0 H HIS A 432 3.006 13.399 -0.233 1.00 0.39 H new ATOM 0 HA HIS A 432 5.712 13.735 -1.150 1.00 0.45 H new ATOM 0 HB2 HIS A 432 4.087 15.208 0.365 1.00 0.50 H new ATOM 0 HB3 HIS A 432 4.740 14.223 1.659 1.00 0.50 H new ATOM 0 HD2 HIS A 432 7.170 15.089 2.605 1.00 0.70 H new ATOM 0 HE1 HIS A 432 8.065 17.780 -0.547 1.00 0.91 H new ATOM 0 HE2 HIS A 432 8.806 16.921 1.728 1.00 0.77 H new ATOM 1771 N LEU A 433 4.958 11.424 1.040 1.00 0.39 N ATOM 1772 CA LEU A 433 5.464 10.296 1.803 1.00 0.40 C ATOM 1773 C LEU A 433 5.795 9.120 0.904 1.00 0.36 C ATOM 1774 O LEU A 433 6.809 8.475 1.098 1.00 0.35 O ATOM 1775 CB LEU A 433 4.444 9.849 2.852 1.00 0.53 C ATOM 1776 CG LEU A 433 5.035 9.258 4.134 1.00 0.43 C ATOM 1777 CD1 LEU A 433 5.701 7.912 3.881 1.00 0.91 C ATOM 1778 CD2 LEU A 433 6.030 10.235 4.725 1.00 0.73 C ATOM 0 H LEU A 433 3.942 11.517 1.054 1.00 0.39 H new ATOM 0 HA LEU A 433 6.376 10.629 2.298 1.00 0.40 H new ATOM 0 HB2 LEU A 433 3.824 10.705 3.119 1.00 0.53 H new ATOM 0 HB3 LEU A 433 3.785 9.107 2.400 1.00 0.53 H new ATOM 0 HG LEU A 433 4.221 9.089 4.839 1.00 0.43 H new ATOM 0 HD11 LEU A 433 6.108 7.526 4.816 1.00 0.91 H new ATOM 0 HD12 LEU A 433 4.965 7.210 3.488 1.00 0.91 H new ATOM 0 HD13 LEU A 433 6.507 8.035 3.158 1.00 0.91 H new ATOM 0 HD21 LEU A 433 6.452 9.816 5.638 1.00 0.73 H new ATOM 0 HD22 LEU A 433 6.829 10.420 4.007 1.00 0.73 H new ATOM 0 HD23 LEU A 433 5.526 11.173 4.956 1.00 0.73 H new ATOM 1790 N GLU A 434 4.944 8.836 -0.071 1.00 0.40 N ATOM 1791 CA GLU A 434 5.102 7.631 -0.874 1.00 0.45 C ATOM 1792 C GLU A 434 6.406 7.600 -1.637 1.00 0.45 C ATOM 1793 O GLU A 434 6.883 6.535 -1.976 1.00 0.56 O ATOM 1794 CB GLU A 434 3.911 7.395 -1.786 1.00 0.66 C ATOM 1795 CG GLU A 434 2.736 6.819 -1.021 1.00 0.80 C ATOM 1796 CD GLU A 434 1.595 6.387 -1.911 1.00 1.20 C ATOM 1797 OE1 GLU A 434 1.854 5.991 -3.065 1.00 1.75 O ATOM 1798 OE2 GLU A 434 0.429 6.472 -1.470 1.00 1.47 O ATOM 0 H GLU A 434 4.144 9.417 -0.324 1.00 0.40 H new ATOM 0 HA GLU A 434 5.140 6.801 -0.168 1.00 0.45 H new ATOM 0 HB2 GLU A 434 3.617 8.334 -2.254 1.00 0.66 H new ATOM 0 HB3 GLU A 434 4.194 6.714 -2.588 1.00 0.66 H new ATOM 0 HG2 GLU A 434 3.076 5.963 -0.438 1.00 0.80 H new ATOM 0 HG3 GLU A 434 2.373 7.564 -0.313 1.00 0.80 H new ATOM 1805 N SER A 435 6.996 8.745 -1.893 1.00 0.46 N ATOM 1806 CA SER A 435 8.339 8.779 -2.404 1.00 0.53 C ATOM 1807 C SER A 435 9.345 8.438 -1.303 1.00 0.50 C ATOM 1808 O SER A 435 10.325 7.724 -1.523 1.00 0.58 O ATOM 1809 CB SER A 435 8.626 10.150 -2.950 1.00 0.62 C ATOM 1810 OG SER A 435 8.218 10.271 -4.302 1.00 1.01 O ATOM 0 H SER A 435 6.566 9.660 -1.755 1.00 0.46 H new ATOM 0 HA SER A 435 8.435 8.038 -3.197 1.00 0.53 H new ATOM 0 HB2 SER A 435 8.111 10.897 -2.346 1.00 0.62 H new ATOM 0 HB3 SER A 435 9.693 10.357 -2.872 1.00 0.62 H new ATOM 0 HG SER A 435 8.418 11.175 -4.624 1.00 1.01 H new ATOM 1816 N GLN A 436 9.072 8.959 -0.119 1.00 0.43 N ATOM 1817 CA GLN A 436 9.975 8.847 1.024 1.00 0.48 C ATOM 1818 C GLN A 436 9.943 7.459 1.651 1.00 0.45 C ATOM 1819 O GLN A 436 10.964 6.973 2.103 1.00 0.51 O ATOM 1820 CB GLN A 436 9.650 9.901 2.084 1.00 0.52 C ATOM 1821 CG GLN A 436 9.928 11.321 1.630 1.00 0.77 C ATOM 1822 CD GLN A 436 9.790 12.325 2.757 1.00 0.77 C ATOM 1823 OE1 GLN A 436 10.011 12.003 3.926 1.00 1.27 O ATOM 1824 NE2 GLN A 436 9.446 13.551 2.413 1.00 1.38 N ATOM 0 H GLN A 436 8.215 9.475 0.082 1.00 0.43 H new ATOM 0 HA GLN A 436 10.982 9.019 0.643 1.00 0.48 H new ATOM 0 HB2 GLN A 436 8.599 9.815 2.360 1.00 0.52 H new ATOM 0 HB3 GLN A 436 10.233 9.694 2.981 1.00 0.52 H new ATOM 0 HG2 GLN A 436 10.936 11.377 1.218 1.00 0.77 H new ATOM 0 HG3 GLN A 436 9.240 11.584 0.826 1.00 0.77 H new ATOM 0 HE21 GLN A 436 9.272 13.776 1.433 1.00 1.38 H new ATOM 0 HE22 GLN A 436 9.354 14.274 3.127 1.00 1.38 H new ATOM 1833 N VAL A 437 8.773 6.832 1.693 1.00 0.38 N ATOM 1834 CA VAL A 437 8.650 5.468 2.219 1.00 0.38 C ATOM 1835 C VAL A 437 9.467 4.500 1.368 1.00 0.42 C ATOM 1836 O VAL A 437 10.028 3.524 1.863 1.00 0.49 O ATOM 1837 CB VAL A 437 7.167 5.019 2.291 1.00 0.33 C ATOM 1838 CG1 VAL A 437 6.406 5.430 1.052 1.00 0.31 C ATOM 1839 CG2 VAL A 437 7.047 3.520 2.476 1.00 0.38 C ATOM 0 H VAL A 437 7.896 7.241 1.371 1.00 0.38 H new ATOM 0 HA VAL A 437 9.044 5.461 3.235 1.00 0.38 H new ATOM 0 HB VAL A 437 6.732 5.517 3.158 1.00 0.33 H new ATOM 0 HG11 VAL A 437 5.370 5.100 1.135 1.00 0.31 H new ATOM 0 HG12 VAL A 437 6.434 6.515 0.951 1.00 0.31 H new ATOM 0 HG13 VAL A 437 6.864 4.972 0.175 1.00 0.31 H new ATOM 0 HG21 VAL A 437 5.994 3.242 2.522 1.00 0.38 H new ATOM 0 HG22 VAL A 437 7.520 3.011 1.636 1.00 0.38 H new ATOM 0 HG23 VAL A 437 7.540 3.227 3.403 1.00 0.38 H new ATOM 1849 N LEU A 438 9.572 4.823 0.091 1.00 0.41 N ATOM 1850 CA LEU A 438 10.364 4.043 -0.848 1.00 0.48 C ATOM 1851 C LEU A 438 11.852 4.357 -0.666 1.00 0.55 C ATOM 1852 O LEU A 438 12.724 3.693 -1.229 1.00 0.62 O ATOM 1853 CB LEU A 438 9.910 4.381 -2.269 1.00 0.48 C ATOM 1854 CG LEU A 438 8.404 4.226 -2.505 1.00 0.47 C ATOM 1855 CD1 LEU A 438 8.014 4.676 -3.904 1.00 0.51 C ATOM 1856 CD2 LEU A 438 7.954 2.796 -2.265 1.00 0.54 C ATOM 0 H LEU A 438 9.112 5.632 -0.325 1.00 0.41 H new ATOM 0 HA LEU A 438 10.220 2.978 -0.665 1.00 0.48 H new ATOM 0 HB2 LEU A 438 10.197 5.408 -2.495 1.00 0.48 H new ATOM 0 HB3 LEU A 438 10.443 3.739 -2.970 1.00 0.48 H new ATOM 0 HG LEU A 438 7.896 4.870 -1.787 1.00 0.47 H new ATOM 0 HD11 LEU A 438 6.939 4.553 -4.039 1.00 0.51 H new ATOM 0 HD12 LEU A 438 8.279 5.725 -4.036 1.00 0.51 H new ATOM 0 HD13 LEU A 438 8.544 4.073 -4.641 1.00 0.51 H new ATOM 0 HD21 LEU A 438 6.881 2.718 -2.440 1.00 0.54 H new ATOM 0 HD22 LEU A 438 8.483 2.129 -2.946 1.00 0.54 H new ATOM 0 HD23 LEU A 438 8.175 2.513 -1.236 1.00 0.54 H new