USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 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 391 GLN : amide:sc= 2.07 K(o=2.1,f=-1.2) USER MOD Set 1.2: A 393 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 337 TYR OH : rot 180:sc= -0.799 USER MOD Single : A 338 SER OG : rot -108:sc= 1.22 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 350 LYS NZ :NH3+ -167:sc= 1.15 (180deg=0.745) USER MOD Single : A 353 ASN : amide:sc= 1.47 K(o=1.5,f=-5.7!) USER MOD Single : A 356 THR OG1 : rot -150:sc= -0.133 USER MOD Single : A 359 HIS : no HE2:sc= 0.392 K(o=0.39,f=-3.3!) USER MOD Single : A 366 TYR OH : rot 175:sc= 0.719 USER MOD Single : A 367 GLN : amide:sc= 1.08 K(o=1.1,f=-0.022) USER MOD Single : A 370 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 373 SER OG : rot 99:sc= 0.228 USER MOD Single : A 375 THR OG1 : rot -38:sc= 0.342 USER MOD Single : A 376 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.9!) USER MOD Single : A 379 CYS SG : rot 27:sc= 0.568 USER MOD Single : A 387 SER OG : rot 90:sc= 1.25 USER MOD Single : A 395 THR OG1 : rot 163:sc= 1.28 USER MOD Single : A 407 GLN : amide:sc= 0.894 K(o=0.89,f=0) USER MOD Single : A 414 SER OG : rot 150:sc= -0.721 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 336 3.314 2.899 -11.941 1.00 0.00 N ATOM 25 CA LEU A 336 3.009 2.456 -10.601 1.00 0.00 C ATOM 26 C LEU A 336 2.974 3.582 -9.588 1.00 0.00 C ATOM 27 O LEU A 336 3.449 4.690 -9.830 1.00 0.00 O ATOM 28 CB LEU A 336 4.026 1.404 -10.153 1.00 0.00 C ATOM 29 CG LEU A 336 4.162 0.206 -11.087 1.00 0.00 C ATOM 30 CD1 LEU A 336 4.883 -0.854 -10.269 1.00 0.00 C ATOM 31 CD2 LEU A 336 2.831 -0.335 -11.615 1.00 0.00 C ATOM 0 HA LEU A 336 2.007 2.030 -10.640 1.00 0.00 H new ATOM 0 HB2 LEU A 336 5.001 1.881 -10.053 1.00 0.00 H new ATOM 0 HB3 LEU A 336 3.744 1.045 -9.163 1.00 0.00 H new ATOM 0 HG LEU A 336 4.703 0.502 -11.986 1.00 0.00 H new ATOM 0 HD11 LEU A 336 5.019 -1.750 -10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 336 5.857 -0.474 -9.959 1.00 0.00 H new ATOM 0 HD13 LEU A 336 4.291 -1.098 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 336 3.018 -1.185 -12.271 1.00 0.00 H new ATOM 0 HD22 LEU A 336 2.210 -0.653 -10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 336 2.316 0.447 -12.173 1.00 0.00 H new ATOM 43 N TYR A 337 2.654 3.188 -8.362 1.00 0.00 N ATOM 44 CA TYR A 337 2.986 3.952 -7.185 1.00 0.00 C ATOM 45 C TYR A 337 4.497 3.879 -6.974 1.00 0.00 C ATOM 46 O TYR A 337 5.173 4.902 -6.877 1.00 0.00 O ATOM 47 CB TYR A 337 2.246 3.356 -5.994 1.00 0.00 C ATOM 48 CG TYR A 337 2.476 4.066 -4.679 1.00 0.00 C ATOM 49 CD1 TYR A 337 2.693 5.459 -4.606 1.00 0.00 C ATOM 50 CD2 TYR A 337 2.385 3.309 -3.504 1.00 0.00 C ATOM 51 CE1 TYR A 337 2.702 6.109 -3.364 1.00 0.00 C ATOM 52 CE2 TYR A 337 2.383 3.950 -2.263 1.00 0.00 C ATOM 53 CZ TYR A 337 2.498 5.346 -2.197 1.00 0.00 C ATOM 54 OH TYR A 337 2.713 5.893 -0.987 1.00 0.00 O ATOM 0 H TYR A 337 2.153 2.322 -8.164 1.00 0.00 H new ATOM 0 HA TYR A 337 2.692 4.996 -7.297 1.00 0.00 H new ATOM 0 HB2 TYR A 337 1.178 3.360 -6.210 1.00 0.00 H new ATOM 0 HB3 TYR A 337 2.545 2.314 -5.884 1.00 0.00 H new ATOM 0 HD1 TYR A 337 2.853 6.026 -5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 337 2.317 2.232 -3.557 1.00 0.00 H new ATOM 0 HE1 TYR A 337 2.862 7.175 -3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 337 2.293 3.371 -1.356 1.00 0.00 H new ATOM 0 HH TYR A 337 2.524 5.230 -0.290 1.00 0.00 H new ATOM 64 N SER A 338 5.037 2.660 -6.955 1.00 0.00 N ATOM 65 CA SER A 338 6.450 2.345 -6.793 1.00 0.00 C ATOM 66 C SER A 338 7.326 2.858 -7.948 1.00 0.00 C ATOM 67 O SER A 338 8.540 2.696 -7.892 1.00 0.00 O ATOM 68 CB SER A 338 6.580 0.826 -6.614 1.00 0.00 C ATOM 69 OG SER A 338 5.583 0.360 -5.713 1.00 0.00 O ATOM 0 H SER A 338 4.465 1.822 -7.058 1.00 0.00 H new ATOM 0 HA SER A 338 6.823 2.865 -5.911 1.00 0.00 H new ATOM 0 HB2 SER A 338 6.475 0.327 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 338 7.571 0.579 -6.234 1.00 0.00 H new ATOM 0 HG SER A 338 6.001 0.117 -4.860 1.00 0.00 H new ATOM 75 N SER A 339 6.736 3.510 -8.962 1.00 0.00 N ATOM 76 CA SER A 339 7.458 4.289 -9.959 1.00 0.00 C ATOM 77 C SER A 339 8.323 5.309 -9.203 1.00 0.00 C ATOM 78 O SER A 339 9.477 5.518 -9.554 1.00 0.00 O ATOM 79 CB SER A 339 6.451 4.921 -10.942 1.00 0.00 C ATOM 80 OG SER A 339 7.037 5.210 -12.196 1.00 0.00 O ATOM 0 H SER A 339 5.726 3.506 -9.107 1.00 0.00 H new ATOM 0 HA SER A 339 8.122 3.678 -10.571 1.00 0.00 H new ATOM 0 HB2 SER A 339 5.610 4.242 -11.084 1.00 0.00 H new ATOM 0 HB3 SER A 339 6.051 5.838 -10.510 1.00 0.00 H new ATOM 0 HG SER A 339 6.364 5.607 -12.788 1.00 0.00 H new ATOM 86 N LEU A 340 7.753 6.012 -8.215 1.00 0.00 N ATOM 87 CA LEU A 340 8.463 6.668 -7.116 1.00 0.00 C ATOM 88 C LEU A 340 9.234 5.676 -6.218 1.00 0.00 C ATOM 89 O LEU A 340 8.567 5.070 -5.368 1.00 0.00 O ATOM 90 CB LEU A 340 7.470 7.488 -6.269 1.00 0.00 C ATOM 91 CG LEU A 340 7.304 8.937 -6.741 1.00 0.00 C ATOM 92 CD1 LEU A 340 5.983 9.480 -6.188 1.00 0.00 C ATOM 93 CD2 LEU A 340 8.479 9.798 -6.255 1.00 0.00 C ATOM 0 H LEU A 340 6.743 6.143 -8.160 1.00 0.00 H new ATOM 0 HA LEU A 340 9.206 7.327 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 340 6.498 6.996 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 340 7.806 7.490 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 340 7.292 8.970 -7.830 1.00 0.00 H new ATOM 0 HD11 LEU A 340 5.848 10.511 -6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 340 5.157 8.872 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 340 6.002 9.444 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 340 8.345 10.824 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 340 8.515 9.782 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 340 9.412 9.400 -6.655 1.00 0.00 H new ATOM 152 N LYS A 344 9.303 10.410 -1.159 1.00 0.00 N ATOM 153 CA LYS A 344 7.849 10.299 -1.196 1.00 0.00 C ATOM 154 C LYS A 344 7.375 9.026 -0.484 1.00 0.00 C ATOM 155 O LYS A 344 6.321 9.082 0.139 1.00 0.00 O ATOM 156 CB LYS A 344 7.283 10.521 -2.608 1.00 0.00 C ATOM 157 CG LYS A 344 5.809 10.996 -2.597 1.00 0.00 C ATOM 158 CD LYS A 344 5.559 12.104 -3.637 1.00 0.00 C ATOM 159 CE LYS A 344 4.080 12.509 -3.735 1.00 0.00 C ATOM 160 NZ LYS A 344 3.845 13.491 -4.818 1.00 0.00 N ATOM 0 HA LYS A 344 7.419 11.118 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 344 7.894 11.260 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 344 7.356 9.592 -3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 344 5.153 10.150 -2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 344 5.553 11.365 -1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 344 6.154 12.980 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 344 5.903 11.763 -4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 344 3.472 11.622 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 344 3.756 12.933 -2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 344 2.835 13.738 -4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 344 4.405 14.348 -4.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 344 4.129 13.078 -5.729 1.00 0.00 H new ATOM 174 N ARG A 345 8.077 7.876 -0.590 1.00 0.00 N ATOM 175 CA ARG A 345 7.694 6.707 0.196 1.00 0.00 C ATOM 176 C ARG A 345 7.616 7.110 1.659 1.00 0.00 C ATOM 177 O ARG A 345 6.577 6.882 2.243 1.00 0.00 O ATOM 178 CB ARG A 345 8.698 5.518 0.145 1.00 0.00 C ATOM 179 CG ARG A 345 8.951 4.606 -1.074 1.00 0.00 C ATOM 180 CD ARG A 345 7.789 3.804 -1.639 1.00 0.00 C ATOM 181 NE ARG A 345 7.264 4.426 -2.863 1.00 0.00 N ATOM 182 CZ ARG A 345 6.148 5.138 -2.955 1.00 0.00 C ATOM 183 NH1 ARG A 345 5.445 5.407 -1.864 1.00 0.00 N ATOM 184 NH2 ARG A 345 5.744 5.568 -4.138 1.00 0.00 N ATOM 0 H ARG A 345 8.887 7.744 -1.196 1.00 0.00 H new ATOM 0 HA ARG A 345 6.750 6.374 -0.236 1.00 0.00 H new ATOM 0 HB2 ARG A 345 9.669 5.939 0.406 1.00 0.00 H new ATOM 0 HB3 ARG A 345 8.410 4.852 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 345 9.344 5.229 -1.877 1.00 0.00 H new ATOM 0 HG3 ARG A 345 9.738 3.902 -0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 345 8.116 2.787 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 345 6.996 3.732 -0.895 1.00 0.00 H new ATOM 0 HE ARG A 345 7.806 4.299 -3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 345 5.762 5.067 -0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 345 4.587 5.954 -1.932 1.00 0.00 H new ATOM 0 HH21 ARG A 345 6.289 5.352 -4.973 1.00 0.00 H new ATOM 0 HH22 ARG A 345 4.887 6.116 -4.216 1.00 0.00 H new ATOM 198 N GLU A 346 8.634 7.748 2.218 1.00 0.00 N ATOM 199 CA GLU A 346 8.782 7.925 3.658 1.00 0.00 C ATOM 200 C GLU A 346 7.585 8.674 4.237 1.00 0.00 C ATOM 201 O GLU A 346 6.993 8.241 5.227 1.00 0.00 O ATOM 202 CB GLU A 346 10.087 8.693 3.958 1.00 0.00 C ATOM 203 CG GLU A 346 11.335 8.103 3.285 1.00 0.00 C ATOM 204 CD GLU A 346 11.640 6.707 3.815 1.00 0.00 C ATOM 205 OE1 GLU A 346 12.263 6.589 4.892 1.00 0.00 O ATOM 206 OE2 GLU A 346 11.208 5.726 3.175 1.00 0.00 O ATOM 0 H GLU A 346 9.392 8.164 1.677 1.00 0.00 H new ATOM 0 HA GLU A 346 8.828 6.942 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 346 9.969 9.727 3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 346 10.244 8.712 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 346 11.184 8.060 2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 346 12.189 8.756 3.461 1.00 0.00 H new ATOM 213 N GLU A 347 7.223 9.796 3.613 1.00 0.00 N ATOM 214 CA GLU A 347 6.056 10.561 4.016 1.00 0.00 C ATOM 215 C GLU A 347 4.780 9.732 3.877 1.00 0.00 C ATOM 216 O GLU A 347 3.964 9.712 4.792 1.00 0.00 O ATOM 217 CB GLU A 347 6.002 11.884 3.232 1.00 0.00 C ATOM 218 CG GLU A 347 4.944 12.869 3.762 1.00 0.00 C ATOM 219 CD GLU A 347 5.104 13.205 5.252 1.00 0.00 C ATOM 220 OE1 GLU A 347 6.242 13.213 5.784 1.00 0.00 O ATOM 221 OE2 GLU A 347 4.087 13.392 5.959 1.00 0.00 O ATOM 0 H GLU A 347 7.730 10.192 2.821 1.00 0.00 H new ATOM 0 HA GLU A 347 6.136 10.813 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 347 6.982 12.360 3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 347 5.793 11.668 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 347 4.997 13.791 3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 347 3.953 12.446 3.598 1.00 0.00 H new ATOM 228 N VAL A 348 4.587 9.030 2.761 1.00 0.00 N ATOM 229 CA VAL A 348 3.317 8.369 2.502 1.00 0.00 C ATOM 230 C VAL A 348 3.193 7.043 3.260 1.00 0.00 C ATOM 231 O VAL A 348 2.084 6.629 3.583 1.00 0.00 O ATOM 232 CB VAL A 348 3.046 8.261 1.002 1.00 0.00 C ATOM 233 CG1 VAL A 348 1.585 7.807 0.793 1.00 0.00 C ATOM 234 CG2 VAL A 348 3.161 9.594 0.236 1.00 0.00 C ATOM 0 H VAL A 348 5.289 8.907 2.031 1.00 0.00 H new ATOM 0 HA VAL A 348 2.519 8.994 2.903 1.00 0.00 H new ATOM 0 HB VAL A 348 3.797 7.567 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 348 1.378 7.726 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 348 1.434 6.837 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 348 0.910 8.537 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 348 2.953 9.426 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 348 2.442 10.308 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 348 4.169 9.992 0.348 1.00 0.00 H new ATOM 244 N GLU A 349 4.286 6.354 3.559 1.00 0.00 N ATOM 245 CA GLU A 349 4.300 5.234 4.495 1.00 0.00 C ATOM 246 C GLU A 349 3.756 5.661 5.863 1.00 0.00 C ATOM 247 O GLU A 349 3.076 4.882 6.532 1.00 0.00 O ATOM 248 CB GLU A 349 5.712 4.648 4.642 1.00 0.00 C ATOM 249 CG GLU A 349 6.163 3.861 3.398 1.00 0.00 C ATOM 250 CD GLU A 349 7.191 2.778 3.728 1.00 0.00 C ATOM 251 OE1 GLU A 349 6.934 1.991 4.665 1.00 0.00 O ATOM 252 OE2 GLU A 349 8.237 2.718 3.037 1.00 0.00 O ATOM 0 H GLU A 349 5.200 6.558 3.154 1.00 0.00 H new ATOM 0 HA GLU A 349 3.651 4.458 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 349 6.418 5.456 4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 349 5.739 3.991 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 349 5.293 3.401 2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 349 6.589 4.552 2.670 1.00 0.00 H new ATOM 259 N LYS A 350 3.954 6.926 6.256 1.00 0.00 N ATOM 260 CA LYS A 350 3.334 7.447 7.475 1.00 0.00 C ATOM 261 C LYS A 350 1.813 7.562 7.305 1.00 0.00 C ATOM 262 O LYS A 350 1.101 7.553 8.308 1.00 0.00 O ATOM 263 CB LYS A 350 3.932 8.833 7.750 1.00 0.00 C ATOM 264 CG LYS A 350 3.814 9.358 9.187 1.00 0.00 C ATOM 265 CD LYS A 350 3.976 10.889 9.203 1.00 0.00 C ATOM 266 CE LYS A 350 5.275 11.346 8.518 1.00 0.00 C ATOM 267 NZ LYS A 350 5.286 12.793 8.236 1.00 0.00 N ATOM 0 H LYS A 350 4.532 7.599 5.752 1.00 0.00 H new ATOM 0 HA LYS A 350 3.527 6.770 8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 350 4.988 8.808 7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 350 3.451 9.550 7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 350 2.846 9.082 9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 350 4.576 8.897 9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 350 3.123 11.348 8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 350 3.968 11.242 10.234 1.00 0.00 H new ATOM 0 HE2 LYS A 350 6.124 11.097 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 350 5.403 10.796 7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 350 6.068 13.014 7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 350 4.384 13.068 7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 350 5.414 13.319 9.124 1.00 0.00 H new ATOM 281 N LEU A 351 1.319 7.733 6.077 1.00 0.00 N ATOM 282 CA LEU A 351 -0.094 7.835 5.725 1.00 0.00 C ATOM 283 C LEU A 351 -0.750 6.454 5.620 1.00 0.00 C ATOM 284 O LEU A 351 -1.700 6.189 6.355 1.00 0.00 O ATOM 285 CB LEU A 351 -0.286 8.687 4.458 1.00 0.00 C ATOM 286 CG LEU A 351 0.326 10.101 4.558 1.00 0.00 C ATOM 287 CD1 LEU A 351 0.321 10.779 3.184 1.00 0.00 C ATOM 288 CD2 LEU A 351 -0.428 10.959 5.581 1.00 0.00 C ATOM 0 H LEU A 351 1.927 7.808 5.261 1.00 0.00 H new ATOM 0 HA LEU A 351 -0.610 8.353 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 351 0.161 8.167 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 351 -1.352 8.777 4.250 1.00 0.00 H new ATOM 0 HG LEU A 351 1.357 10.001 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 351 0.755 11.775 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 351 0.908 10.185 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 351 -0.704 10.859 2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 351 0.025 11.949 5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 351 -1.471 11.052 5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 351 -0.375 10.487 6.562 1.00 0.00 H new ATOM 300 N LEU A 352 -0.259 5.557 4.744 1.00 0.00 N ATOM 301 CA LEU A 352 -0.604 4.121 4.696 1.00 0.00 C ATOM 302 C LEU A 352 -0.012 3.404 5.928 1.00 0.00 C ATOM 303 O LEU A 352 0.724 2.433 5.799 1.00 0.00 O ATOM 304 CB LEU A 352 -0.215 3.447 3.342 1.00 0.00 C ATOM 305 CG LEU A 352 -1.046 3.808 2.078 1.00 0.00 C ATOM 306 CD1 LEU A 352 -0.566 3.094 0.806 1.00 0.00 C ATOM 307 CD2 LEU A 352 -2.512 3.386 2.221 1.00 0.00 C ATOM 0 H LEU A 352 0.413 5.821 4.024 1.00 0.00 H new ATOM 0 HA LEU A 352 -1.689 4.026 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 352 0.827 3.690 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -0.269 2.367 3.479 1.00 0.00 H new ATOM 0 HG LEU A 352 -0.924 4.888 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -1.190 3.392 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 352 0.470 3.367 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -0.636 2.015 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -3.058 3.656 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -2.567 2.308 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -2.955 3.894 3.078 1.00 0.00 H new ATOM 319 N ASN A 353 -0.355 3.894 7.122 1.00 0.00 N ATOM 320 CA ASN A 353 0.184 3.553 8.437 1.00 0.00 C ATOM 321 C ASN A 353 -0.296 2.173 8.916 1.00 0.00 C ATOM 322 O ASN A 353 -1.184 1.565 8.304 1.00 0.00 O ATOM 323 CB ASN A 353 -0.227 4.648 9.441 1.00 0.00 C ATOM 324 CG ASN A 353 0.803 4.845 10.552 1.00 0.00 C ATOM 325 OD1 ASN A 353 1.057 3.962 11.360 1.00 0.00 O ATOM 326 ND2 ASN A 353 1.426 6.005 10.623 1.00 0.00 N ATOM 0 H ASN A 353 -1.084 4.604 7.197 1.00 0.00 H new ATOM 0 HA ASN A 353 1.270 3.500 8.365 1.00 0.00 H new ATOM 0 HB2 ASN A 353 -0.366 5.589 8.909 1.00 0.00 H new ATOM 0 HB3 ASN A 353 -1.188 4.387 9.884 1.00 0.00 H new ATOM 0 HD21 ASN A 353 2.121 6.167 11.352 1.00 0.00 H new ATOM 0 HD22 ASN A 353 1.213 6.740 9.949 1.00 0.00 H new ATOM 333 N GLY A 354 0.277 1.689 10.027 1.00 0.00 N ATOM 334 CA GLY A 354 0.004 0.433 10.717 1.00 0.00 C ATOM 335 C GLY A 354 -1.413 0.333 11.287 1.00 0.00 C ATOM 336 O GLY A 354 -1.589 0.208 12.493 1.00 0.00 O ATOM 0 H GLY A 354 1.007 2.218 10.503 1.00 0.00 H new ATOM 0 HA2 GLY A 354 0.165 -0.393 10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 354 0.721 0.313 11.529 1.00 0.00 H new ATOM 340 N ASP A 355 -2.395 0.253 10.396 1.00 0.00 N ATOM 341 CA ASP A 355 -3.800 -0.098 10.581 1.00 0.00 C ATOM 342 C ASP A 355 -4.435 -0.149 9.200 1.00 0.00 C ATOM 343 O ASP A 355 -4.825 -1.214 8.711 1.00 0.00 O ATOM 344 CB ASP A 355 -4.576 0.919 11.440 1.00 0.00 C ATOM 345 CG ASP A 355 -6.082 0.635 11.344 1.00 0.00 C ATOM 346 OD1 ASP A 355 -6.491 -0.493 11.680 1.00 0.00 O ATOM 347 OD2 ASP A 355 -6.822 1.504 10.820 1.00 0.00 O ATOM 0 H ASP A 355 -2.204 0.456 9.415 1.00 0.00 H new ATOM 0 HA ASP A 355 -3.845 -1.052 11.106 1.00 0.00 H new ATOM 0 HB2 ASP A 355 -4.250 0.857 12.478 1.00 0.00 H new ATOM 0 HB3 ASP A 355 -4.365 1.933 11.100 1.00 0.00 H new ATOM 352 N THR A 356 -4.479 1.009 8.536 1.00 0.00 N ATOM 353 CA THR A 356 -5.165 1.139 7.271 1.00 0.00 C ATOM 354 C THR A 356 -4.504 0.228 6.243 1.00 0.00 C ATOM 355 O THR A 356 -5.205 -0.371 5.429 1.00 0.00 O ATOM 356 CB THR A 356 -5.110 2.589 6.767 1.00 0.00 C ATOM 357 OG1 THR A 356 -5.475 3.507 7.776 1.00 0.00 O ATOM 358 CG2 THR A 356 -6.123 2.701 5.624 1.00 0.00 C ATOM 0 H THR A 356 -4.041 1.869 8.866 1.00 0.00 H new ATOM 0 HA THR A 356 -6.208 0.856 7.411 1.00 0.00 H new ATOM 0 HB THR A 356 -4.093 2.824 6.452 1.00 0.00 H new ATOM 0 HG1 THR A 356 -5.886 4.297 7.367 1.00 0.00 H new ATOM 0 HG21 THR A 356 -6.119 3.718 5.233 1.00 0.00 H new ATOM 0 HG22 THR A 356 -5.853 2.006 4.829 1.00 0.00 H new ATOM 0 HG23 THR A 356 -7.119 2.459 5.995 1.00 0.00 H new ATOM 366 N TRP A 357 -3.165 0.144 6.258 1.00 0.00 N ATOM 367 CA TRP A 357 -2.443 -0.687 5.316 1.00 0.00 C ATOM 368 C TRP A 357 -3.039 -2.109 5.344 1.00 0.00 C ATOM 369 O TRP A 357 -3.371 -2.619 4.289 1.00 0.00 O ATOM 370 CB TRP A 357 -0.925 -0.659 5.560 1.00 0.00 C ATOM 371 CG TRP A 357 -0.445 -1.743 6.473 1.00 0.00 C ATOM 372 CD1 TRP A 357 -0.434 -1.708 7.817 1.00 0.00 C ATOM 373 CD2 TRP A 357 -0.152 -3.123 6.112 1.00 0.00 C ATOM 374 NE1 TRP A 357 -0.147 -2.963 8.322 1.00 0.00 N ATOM 375 CE2 TRP A 357 0.032 -3.880 7.301 1.00 0.00 C ATOM 376 CE3 TRP A 357 -0.157 -3.833 4.895 1.00 0.00 C ATOM 377 CZ2 TRP A 357 0.280 -5.259 7.238 1.00 0.00 C ATOM 378 CZ3 TRP A 357 0.160 -5.200 4.828 1.00 0.00 C ATOM 379 CH2 TRP A 357 0.389 -5.906 6.012 1.00 0.00 C ATOM 0 H TRP A 357 -2.571 0.647 6.917 1.00 0.00 H new ATOM 0 HA TRP A 357 -2.567 -0.285 4.310 1.00 0.00 H new ATOM 0 HB2 TRP A 357 -0.410 -0.747 4.603 1.00 0.00 H new ATOM 0 HB3 TRP A 357 -0.651 0.308 5.982 1.00 0.00 H new ATOM 0 HD1 TRP A 357 -0.622 -0.828 8.415 1.00 0.00 H new ATOM 0 HE1 TRP A 357 -0.077 -3.184 9.315 1.00 0.00 H new ATOM 0 HE3 TRP A 357 -0.413 -3.310 3.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 357 0.387 -5.825 8.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 357 0.226 -5.699 3.873 1.00 0.00 H new ATOM 0 HH2 TRP A 357 0.650 -6.953 5.975 1.00 0.00 H new ATOM 390 N ARG A 358 -3.148 -2.769 6.514 1.00 0.00 N ATOM 391 CA ARG A 358 -3.786 -4.079 6.708 1.00 0.00 C ATOM 392 C ARG A 358 -5.089 -4.226 5.935 1.00 0.00 C ATOM 393 O ARG A 358 -5.281 -5.234 5.262 1.00 0.00 O ATOM 394 CB ARG A 358 -3.953 -4.472 8.194 1.00 0.00 C ATOM 395 CG ARG A 358 -3.044 -5.645 8.614 1.00 0.00 C ATOM 396 CD ARG A 358 -3.576 -6.330 9.884 1.00 0.00 C ATOM 397 NE ARG A 358 -2.646 -7.333 10.443 1.00 0.00 N ATOM 398 CZ ARG A 358 -2.621 -8.657 10.212 1.00 0.00 C ATOM 399 NH1 ARG A 358 -3.347 -9.211 9.248 1.00 0.00 N ATOM 400 NH2 ARG A 358 -1.860 -9.436 10.970 1.00 0.00 N ATOM 0 H ARG A 358 -2.777 -2.385 7.383 1.00 0.00 H new ATOM 0 HA ARG A 358 -3.083 -4.795 6.282 1.00 0.00 H new ATOM 0 HB2 ARG A 358 -3.733 -3.607 8.820 1.00 0.00 H new ATOM 0 HB3 ARG A 358 -4.993 -4.742 8.378 1.00 0.00 H new ATOM 0 HG2 ARG A 358 -2.984 -6.371 7.803 1.00 0.00 H new ATOM 0 HG3 ARG A 358 -2.032 -5.280 8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 358 -3.777 -5.571 10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 358 -4.526 -6.813 9.656 1.00 0.00 H new ATOM 0 HE ARG A 358 -1.936 -6.977 11.083 1.00 0.00 H new ATOM 0 HH11 ARG A 358 -3.943 -8.629 8.660 1.00 0.00 H new ATOM 0 HH12 ARG A 358 -3.308 -10.219 9.095 1.00 0.00 H new ATOM 0 HH21 ARG A 358 -1.301 -9.029 11.720 1.00 0.00 H new ATOM 0 HH22 ARG A 358 -1.834 -10.442 10.803 1.00 0.00 H new ATOM 414 N HIS A 359 -5.991 -3.254 6.099 1.00 0.00 N ATOM 415 CA HIS A 359 -7.293 -3.250 5.444 1.00 0.00 C ATOM 416 C HIS A 359 -7.078 -3.290 3.932 1.00 0.00 C ATOM 417 O HIS A 359 -7.596 -4.158 3.234 1.00 0.00 O ATOM 418 CB HIS A 359 -8.101 -1.995 5.829 1.00 0.00 C ATOM 419 CG HIS A 359 -8.531 -1.878 7.271 1.00 0.00 C ATOM 420 ND1 HIS A 359 -7.731 -1.748 8.393 1.00 0.00 N ATOM 421 CD2 HIS A 359 -9.834 -1.769 7.679 1.00 0.00 C ATOM 422 CE1 HIS A 359 -8.547 -1.610 9.453 1.00 0.00 C ATOM 423 NE2 HIS A 359 -9.834 -1.572 9.060 1.00 0.00 N ATOM 0 H HIS A 359 -5.832 -2.443 6.696 1.00 0.00 H new ATOM 0 HA HIS A 359 -7.860 -4.123 5.767 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -7.504 -1.117 5.580 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -8.994 -1.961 5.205 1.00 0.00 H new ATOM 0 HD1 HIS A 359 -6.711 -1.755 8.412 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -10.706 -1.826 7.044 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -8.215 -1.539 10.478 1.00 0.00 H new ATOM 431 N LEU A 360 -6.296 -2.334 3.433 1.00 0.00 N ATOM 432 CA LEU A 360 -5.960 -2.165 2.040 1.00 0.00 C ATOM 433 C LEU A 360 -5.239 -3.382 1.449 1.00 0.00 C ATOM 434 O LEU A 360 -5.461 -3.700 0.290 1.00 0.00 O ATOM 435 CB LEU A 360 -5.153 -0.872 1.995 1.00 0.00 C ATOM 436 CG LEU A 360 -4.535 -0.566 0.636 1.00 0.00 C ATOM 437 CD1 LEU A 360 -5.624 -0.212 -0.362 1.00 0.00 C ATOM 438 CD2 LEU A 360 -3.585 0.610 0.800 1.00 0.00 C ATOM 0 H LEU A 360 -5.864 -1.627 4.027 1.00 0.00 H new ATOM 0 HA LEU A 360 -6.843 -2.092 1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 360 -5.800 -0.043 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 360 -4.358 -0.927 2.739 1.00 0.00 H new ATOM 0 HG LEU A 360 -3.996 -1.438 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 360 -5.173 0.005 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 360 -6.312 -1.051 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 360 -6.169 0.664 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 360 -3.130 0.847 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 360 -4.138 1.476 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 360 -2.805 0.351 1.516 1.00 0.00 H new ATOM 450 N ALA A 361 -4.348 -4.026 2.200 1.00 0.00 N ATOM 451 CA ALA A 361 -3.472 -5.109 1.776 1.00 0.00 C ATOM 452 C ALA A 361 -4.249 -6.181 1.000 1.00 0.00 C ATOM 453 O ALA A 361 -3.828 -6.567 -0.089 1.00 0.00 O ATOM 454 CB ALA A 361 -2.702 -5.650 2.994 1.00 0.00 C ATOM 0 H ALA A 361 -4.212 -3.788 3.183 1.00 0.00 H new ATOM 0 HA ALA A 361 -2.730 -4.735 1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -2.046 -6.461 2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -2.105 -4.850 3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -3.409 -6.023 3.735 1.00 0.00 H new ATOM 460 N GLY A 362 -5.388 -6.637 1.532 1.00 0.00 N ATOM 461 CA GLY A 362 -6.235 -7.612 0.858 1.00 0.00 C ATOM 462 C GLY A 362 -6.886 -7.044 -0.397 1.00 0.00 C ATOM 463 O GLY A 362 -6.973 -7.720 -1.423 1.00 0.00 O ATOM 0 H GLY A 362 -5.743 -6.338 2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 362 -5.639 -8.485 0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 362 -7.010 -7.952 1.544 1.00 0.00 H new ATOM 467 N GLU A 363 -7.317 -5.784 -0.338 1.00 0.00 N ATOM 468 CA GLU A 363 -7.964 -5.103 -1.450 1.00 0.00 C ATOM 469 C GLU A 363 -7.005 -4.935 -2.640 1.00 0.00 C ATOM 470 O GLU A 363 -7.460 -4.794 -3.781 1.00 0.00 O ATOM 471 CB GLU A 363 -8.518 -3.739 -0.989 1.00 0.00 C ATOM 472 CG GLU A 363 -9.572 -3.823 0.130 1.00 0.00 C ATOM 473 CD GLU A 363 -10.954 -4.247 -0.380 1.00 0.00 C ATOM 474 OE1 GLU A 363 -11.036 -5.236 -1.147 1.00 0.00 O ATOM 475 OE2 GLU A 363 -11.930 -3.519 -0.104 1.00 0.00 O ATOM 0 H GLU A 363 -7.224 -5.204 0.496 1.00 0.00 H new ATOM 0 HA GLU A 363 -8.796 -5.720 -1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 363 -7.688 -3.122 -0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 363 -8.957 -3.231 -1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 363 -9.236 -4.533 0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 363 -9.653 -2.852 0.619 1.00 0.00 H new ATOM 482 N LEU A 364 -5.692 -5.004 -2.398 1.00 0.00 N ATOM 483 CA LEU A 364 -4.625 -4.964 -3.397 1.00 0.00 C ATOM 484 C LEU A 364 -4.315 -6.357 -3.974 1.00 0.00 C ATOM 485 O LEU A 364 -3.217 -6.591 -4.486 1.00 0.00 O ATOM 486 CB LEU A 364 -3.375 -4.340 -2.750 1.00 0.00 C ATOM 487 CG LEU A 364 -3.537 -2.872 -2.328 1.00 0.00 C ATOM 488 CD1 LEU A 364 -2.306 -2.434 -1.537 1.00 0.00 C ATOM 489 CD2 LEU A 364 -3.703 -1.896 -3.489 1.00 0.00 C ATOM 0 H LEU A 364 -5.328 -5.094 -1.449 1.00 0.00 H new ATOM 0 HA LEU A 364 -4.953 -4.355 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 364 -3.104 -4.928 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 364 -2.544 -4.413 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 364 -4.453 -2.839 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 364 -2.418 -1.392 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 364 -2.202 -3.059 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 364 -1.417 -2.538 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 364 -3.811 -0.883 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 364 -2.826 -1.946 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 364 -4.591 -2.161 -4.063 1.00 0.00 H new ATOM 501 N GLY A 365 -5.312 -7.246 -4.001 1.00 0.00 N ATOM 502 CA GLY A 365 -5.228 -8.597 -4.546 1.00 0.00 C ATOM 503 C GLY A 365 -4.058 -9.421 -4.016 1.00 0.00 C ATOM 504 O GLY A 365 -3.463 -10.186 -4.772 1.00 0.00 O ATOM 0 H GLY A 365 -6.237 -7.032 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 365 -6.157 -9.123 -4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 365 -5.149 -8.533 -5.631 1.00 0.00 H new ATOM 508 N TYR A 366 -3.765 -9.313 -2.720 1.00 0.00 N ATOM 509 CA TYR A 366 -2.790 -10.136 -2.024 1.00 0.00 C ATOM 510 C TYR A 366 -3.525 -10.840 -0.886 1.00 0.00 C ATOM 511 O TYR A 366 -4.005 -10.192 0.041 1.00 0.00 O ATOM 512 CB TYR A 366 -1.605 -9.265 -1.571 1.00 0.00 C ATOM 513 CG TYR A 366 -0.471 -9.014 -2.580 1.00 0.00 C ATOM 514 CD1 TYR A 366 -0.309 -9.779 -3.758 1.00 0.00 C ATOM 515 CD2 TYR A 366 0.505 -8.048 -2.265 1.00 0.00 C ATOM 516 CE1 TYR A 366 0.798 -9.579 -4.599 1.00 0.00 C ATOM 517 CE2 TYR A 366 1.632 -7.859 -3.088 1.00 0.00 C ATOM 518 CZ TYR A 366 1.774 -8.615 -4.275 1.00 0.00 C ATOM 519 OH TYR A 366 2.824 -8.448 -5.129 1.00 0.00 O ATOM 0 H TYR A 366 -4.216 -8.629 -2.112 1.00 0.00 H new ATOM 0 HA TYR A 366 -2.354 -10.902 -2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 366 -2.000 -8.297 -1.263 1.00 0.00 H new ATOM 0 HB3 TYR A 366 -1.169 -9.727 -0.686 1.00 0.00 H new ATOM 0 HD1 TYR A 366 -1.045 -10.526 -4.014 1.00 0.00 H new ATOM 0 HD2 TYR A 366 0.387 -7.443 -1.378 1.00 0.00 H new ATOM 0 HE1 TYR A 366 0.902 -10.167 -5.499 1.00 0.00 H new ATOM 0 HE2 TYR A 366 2.387 -7.138 -2.813 1.00 0.00 H new ATOM 0 HH TYR A 366 3.376 -7.698 -4.825 1.00 0.00 H new ATOM 529 N GLN A 367 -3.708 -12.158 -1.030 1.00 0.00 N ATOM 530 CA GLN A 367 -4.401 -13.034 -0.081 1.00 0.00 C ATOM 531 C GLN A 367 -3.849 -12.863 1.352 1.00 0.00 C ATOM 532 O GLN A 367 -2.698 -12.440 1.501 1.00 0.00 O ATOM 533 CB GLN A 367 -4.308 -14.492 -0.581 1.00 0.00 C ATOM 534 CG GLN A 367 -4.776 -14.673 -2.037 1.00 0.00 C ATOM 535 CD GLN A 367 -5.117 -16.115 -2.433 1.00 0.00 C ATOM 536 OE1 GLN A 367 -5.901 -16.327 -3.352 1.00 0.00 O ATOM 537 NE2 GLN A 367 -4.564 -17.136 -1.801 1.00 0.00 N ATOM 0 H GLN A 367 -3.362 -12.663 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 367 -5.453 -12.755 -0.029 1.00 0.00 H new ATOM 0 HB2 GLN A 367 -3.276 -14.832 -0.494 1.00 0.00 H new ATOM 0 HB3 GLN A 367 -4.909 -15.129 0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 367 -5.655 -14.050 -2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 367 -3.995 -14.304 -2.702 1.00 0.00 H new ATOM 0 HE21 GLN A 367 -3.911 -16.969 -1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 367 -4.790 -18.091 -2.079 1.00 0.00 H new ATOM 546 N PRO A 368 -4.590 -13.228 2.418 1.00 0.00 N ATOM 547 CA PRO A 368 -4.164 -12.968 3.792 1.00 0.00 C ATOM 548 C PRO A 368 -2.834 -13.620 4.181 1.00 0.00 C ATOM 549 O PRO A 368 -2.169 -13.112 5.081 1.00 0.00 O ATOM 550 CB PRO A 368 -5.322 -13.391 4.701 1.00 0.00 C ATOM 551 CG PRO A 368 -6.162 -14.316 3.826 1.00 0.00 C ATOM 552 CD PRO A 368 -5.941 -13.770 2.417 1.00 0.00 C ATOM 0 HA PRO A 368 -3.948 -11.905 3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 368 -4.962 -13.904 5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 368 -5.898 -12.530 5.039 1.00 0.00 H new ATOM 0 HG2 PRO A 368 -5.837 -15.353 3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 368 -7.215 -14.288 4.107 1.00 0.00 H new ATOM 0 HD2 PRO A 368 -6.048 -14.557 1.670 1.00 0.00 H new ATOM 0 HD3 PRO A 368 -6.673 -12.999 2.175 1.00 0.00 H new ATOM 560 N GLU A 369 -2.390 -14.657 3.473 1.00 0.00 N ATOM 561 CA GLU A 369 -1.084 -15.277 3.661 1.00 0.00 C ATOM 562 C GLU A 369 0.036 -14.253 3.444 1.00 0.00 C ATOM 563 O GLU A 369 1.021 -14.250 4.183 1.00 0.00 O ATOM 564 CB GLU A 369 -0.878 -16.453 2.685 1.00 0.00 C ATOM 565 CG GLU A 369 -2.011 -17.492 2.632 1.00 0.00 C ATOM 566 CD GLU A 369 -3.122 -17.068 1.664 1.00 0.00 C ATOM 567 OE1 GLU A 369 -2.998 -17.355 0.454 1.00 0.00 O ATOM 568 OE2 GLU A 369 -4.069 -16.390 2.115 1.00 0.00 O ATOM 0 H GLU A 369 -2.942 -15.098 2.737 1.00 0.00 H new ATOM 0 HA GLU A 369 -1.048 -15.651 4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 369 -0.737 -16.047 1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 369 0.046 -16.965 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 369 -1.607 -18.456 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 369 -2.429 -17.626 3.630 1.00 0.00 H new ATOM 575 N HIS A 370 -0.138 -13.359 2.463 1.00 0.00 N ATOM 576 CA HIS A 370 0.762 -12.245 2.199 1.00 0.00 C ATOM 577 C HIS A 370 0.649 -11.239 3.342 1.00 0.00 C ATOM 578 O HIS A 370 1.660 -10.778 3.859 1.00 0.00 O ATOM 579 CB HIS A 370 0.382 -11.505 0.907 1.00 0.00 C ATOM 580 CG HIS A 370 0.423 -12.288 -0.380 1.00 0.00 C ATOM 581 ND1 HIS A 370 1.270 -12.033 -1.433 1.00 0.00 N ATOM 582 CD2 HIS A 370 -0.481 -13.229 -0.794 1.00 0.00 C ATOM 583 CE1 HIS A 370 0.878 -12.798 -2.465 1.00 0.00 C ATOM 584 NE2 HIS A 370 -0.191 -13.536 -2.126 1.00 0.00 N ATOM 0 H HIS A 370 -0.929 -13.397 1.820 1.00 0.00 H new ATOM 0 HA HIS A 370 1.770 -12.648 2.103 1.00 0.00 H new ATOM 0 HB2 HIS A 370 -0.627 -11.111 1.029 1.00 0.00 H new ATOM 0 HB3 HIS A 370 1.048 -10.649 0.801 1.00 0.00 H new ATOM 0 HD2 HIS A 370 -1.274 -13.657 -0.199 1.00 0.00 H new ATOM 0 HE1 HIS A 370 1.356 -12.817 -3.433 1.00 0.00 H new ATOM 0 HE2 HIS A 370 -0.693 -14.192 -2.724 1.00 0.00 H new ATOM 592 N ILE A 371 -0.581 -10.865 3.704 1.00 0.00 N ATOM 593 CA ILE A 371 -0.870 -9.784 4.641 1.00 0.00 C ATOM 594 C ILE A 371 -0.231 -10.108 5.986 1.00 0.00 C ATOM 595 O ILE A 371 0.451 -9.261 6.565 1.00 0.00 O ATOM 596 CB ILE A 371 -2.391 -9.537 4.764 1.00 0.00 C ATOM 597 CG1 ILE A 371 -3.036 -9.363 3.369 1.00 0.00 C ATOM 598 CG2 ILE A 371 -2.649 -8.302 5.651 1.00 0.00 C ATOM 599 CD1 ILE A 371 -4.555 -9.223 3.411 1.00 0.00 C ATOM 0 H ILE A 371 -1.421 -11.318 3.344 1.00 0.00 H new ATOM 0 HA ILE A 371 -0.441 -8.855 4.266 1.00 0.00 H new ATOM 0 HB ILE A 371 -2.852 -10.406 5.233 1.00 0.00 H new ATOM 0 HG12 ILE A 371 -2.611 -8.481 2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 371 -2.776 -10.220 2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 371 -3.722 -8.132 5.735 1.00 0.00 H new ATOM 0 HG22 ILE A 371 -2.230 -8.472 6.643 1.00 0.00 H new ATOM 0 HG23 ILE A 371 -2.177 -7.427 5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 371 -4.938 -9.105 2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 371 -4.990 -10.115 3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 371 -4.824 -8.349 4.004 1.00 0.00 H new ATOM 611 N ASP A 372 -0.433 -11.319 6.496 1.00 0.00 N ATOM 612 CA ASP A 372 0.179 -11.670 7.764 1.00 0.00 C ATOM 613 C ASP A 372 1.689 -11.830 7.590 1.00 0.00 C ATOM 614 O ASP A 372 2.433 -11.451 8.492 1.00 0.00 O ATOM 615 CB ASP A 372 -0.527 -12.849 8.443 1.00 0.00 C ATOM 616 CG ASP A 372 -1.472 -12.267 9.497 1.00 0.00 C ATOM 617 OD1 ASP A 372 -2.589 -11.826 9.142 1.00 0.00 O ATOM 618 OD2 ASP A 372 -1.030 -12.041 10.644 1.00 0.00 O ATOM 0 H ASP A 372 -0.998 -12.050 6.064 1.00 0.00 H new ATOM 0 HA ASP A 372 0.042 -10.851 8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -1.082 -13.437 7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 372 0.199 -13.518 8.905 1.00 0.00 H new ATOM 623 N SER A 373 2.179 -12.262 6.420 1.00 0.00 N ATOM 624 CA SER A 373 3.619 -12.429 6.218 1.00 0.00 C ATOM 625 C SER A 373 4.320 -11.067 6.065 1.00 0.00 C ATOM 626 O SER A 373 5.528 -10.958 6.267 1.00 0.00 O ATOM 627 CB SER A 373 3.825 -13.195 4.906 1.00 0.00 C ATOM 628 OG SER A 373 3.801 -14.587 5.133 1.00 0.00 O ATOM 0 H SER A 373 1.606 -12.499 5.610 1.00 0.00 H new ATOM 0 HA SER A 373 4.034 -12.954 7.078 1.00 0.00 H new ATOM 0 HB2 SER A 373 3.045 -12.924 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 373 4.777 -12.911 4.459 1.00 0.00 H new ATOM 0 HG SER A 373 2.914 -14.940 4.909 1.00 0.00 H new ATOM 634 N PHE A 374 3.557 -9.993 5.888 1.00 0.00 N ATOM 635 CA PHE A 374 4.081 -8.649 5.674 1.00 0.00 C ATOM 636 C PHE A 374 4.283 -7.993 7.028 1.00 0.00 C ATOM 637 O PHE A 374 5.234 -7.239 7.196 1.00 0.00 O ATOM 638 CB PHE A 374 3.088 -7.785 4.872 1.00 0.00 C ATOM 639 CG PHE A 374 3.225 -7.756 3.368 1.00 0.00 C ATOM 640 CD1 PHE A 374 4.457 -7.438 2.762 1.00 0.00 C ATOM 641 CD2 PHE A 374 2.109 -8.010 2.547 1.00 0.00 C ATOM 642 CE1 PHE A 374 4.570 -7.400 1.359 1.00 0.00 C ATOM 643 CE2 PHE A 374 2.219 -7.969 1.147 1.00 0.00 C ATOM 644 CZ PHE A 374 3.450 -7.658 0.546 1.00 0.00 C ATOM 0 H PHE A 374 2.538 -10.034 5.889 1.00 0.00 H new ATOM 0 HA PHE A 374 5.015 -8.725 5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 374 2.081 -8.128 5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 374 3.169 -6.760 5.234 1.00 0.00 H new ATOM 0 HD1 PHE A 374 5.318 -7.222 3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 374 1.156 -8.239 3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 374 5.522 -7.171 0.904 1.00 0.00 H new ATOM 0 HE2 PHE A 374 1.356 -8.177 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 374 3.536 -7.617 -0.530 1.00 0.00 H new ATOM 654 N THR A 375 3.404 -8.262 7.995 1.00 0.00 N ATOM 655 CA THR A 375 3.573 -7.708 9.328 1.00 0.00 C ATOM 656 C THR A 375 4.610 -8.498 10.148 1.00 0.00 C ATOM 657 O THR A 375 4.909 -8.075 11.265 1.00 0.00 O ATOM 658 CB THR A 375 2.214 -7.566 10.029 1.00 0.00 C ATOM 659 OG1 THR A 375 2.325 -6.815 11.218 1.00 0.00 O ATOM 660 CG2 THR A 375 1.520 -8.887 10.334 1.00 0.00 C ATOM 0 H THR A 375 2.581 -8.852 7.878 1.00 0.00 H new ATOM 0 HA THR A 375 3.984 -6.703 9.238 1.00 0.00 H new ATOM 0 HB THR A 375 1.589 -7.040 9.307 1.00 0.00 H new ATOM 0 HG1 THR A 375 3.167 -7.038 11.668 1.00 0.00 H new ATOM 0 HG21 THR A 375 0.568 -8.692 10.829 1.00 0.00 H new ATOM 0 HG22 THR A 375 1.342 -9.428 9.404 1.00 0.00 H new ATOM 0 HG23 THR A 375 2.152 -9.488 10.988 1.00 0.00 H new ATOM 668 N HIS A 376 5.099 -9.639 9.644 1.00 0.00 N ATOM 669 CA HIS A 376 6.194 -10.402 10.235 1.00 0.00 C ATOM 670 C HIS A 376 7.540 -9.954 9.661 1.00 0.00 C ATOM 671 O HIS A 376 8.521 -9.927 10.404 1.00 0.00 O ATOM 672 CB HIS A 376 5.971 -11.910 10.057 1.00 0.00 C ATOM 673 CG HIS A 376 4.930 -12.458 11.006 1.00 0.00 C ATOM 674 ND1 HIS A 376 3.569 -12.459 10.811 1.00 0.00 N ATOM 675 CD2 HIS A 376 5.166 -13.006 12.239 1.00 0.00 C ATOM 676 CE1 HIS A 376 2.995 -12.997 11.898 1.00 0.00 C ATOM 677 NE2 HIS A 376 3.929 -13.350 12.798 1.00 0.00 N ATOM 0 H HIS A 376 4.731 -10.063 8.792 1.00 0.00 H new ATOM 0 HA HIS A 376 6.213 -10.202 11.306 1.00 0.00 H new ATOM 0 HB2 HIS A 376 5.663 -12.110 9.031 1.00 0.00 H new ATOM 0 HB3 HIS A 376 6.913 -12.434 10.215 1.00 0.00 H new ATOM 0 HD1 HIS A 376 3.081 -12.112 9.985 1.00 0.00 H new ATOM 0 HD2 HIS A 376 6.133 -13.147 12.698 1.00 0.00 H new ATOM 0 HE1 HIS A 376 1.931 -13.128 12.031 1.00 0.00 H new ATOM 685 N GLU A 377 7.609 -9.650 8.359 1.00 0.00 N ATOM 686 CA GLU A 377 8.758 -8.946 7.797 1.00 0.00 C ATOM 687 C GLU A 377 9.092 -7.611 8.456 1.00 0.00 C ATOM 688 O GLU A 377 8.297 -7.032 9.200 1.00 0.00 O ATOM 689 CB GLU A 377 8.619 -8.803 6.265 1.00 0.00 C ATOM 690 CG GLU A 377 9.071 -10.077 5.541 1.00 0.00 C ATOM 691 CD GLU A 377 10.613 -10.187 5.551 1.00 0.00 C ATOM 692 OE1 GLU A 377 11.274 -9.321 6.183 1.00 0.00 O ATOM 693 OE2 GLU A 377 11.128 -11.130 4.912 1.00 0.00 O ATOM 0 H GLU A 377 6.883 -9.881 7.681 1.00 0.00 H new ATOM 0 HA GLU A 377 9.616 -9.579 8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 377 7.581 -8.587 6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 377 9.214 -7.957 5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 377 8.635 -10.951 6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 377 8.708 -10.067 4.513 1.00 0.00 H new ATOM 700 N ALA A 378 10.281 -7.109 8.093 1.00 0.00 N ATOM 701 CA ALA A 378 10.981 -6.000 8.733 1.00 0.00 C ATOM 702 C ALA A 378 10.053 -4.819 9.011 1.00 0.00 C ATOM 703 O ALA A 378 10.081 -4.251 10.102 1.00 0.00 O ATOM 704 CB ALA A 378 12.184 -5.587 7.877 1.00 0.00 C ATOM 0 H ALA A 378 10.802 -7.490 7.303 1.00 0.00 H new ATOM 0 HA ALA A 378 11.342 -6.337 9.705 1.00 0.00 H new ATOM 0 HB1 ALA A 378 12.705 -4.759 8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 378 12.864 -6.432 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 378 11.839 -5.276 6.891 1.00 0.00 H new ATOM 710 N CYS A 379 9.284 -4.411 8.002 1.00 0.00 N ATOM 711 CA CYS A 379 8.063 -3.641 8.156 1.00 0.00 C ATOM 712 C CYS A 379 7.116 -4.098 7.037 1.00 0.00 C ATOM 713 O CYS A 379 7.609 -4.280 5.919 1.00 0.00 O ATOM 714 CB CYS A 379 8.338 -2.135 8.007 1.00 0.00 C ATOM 715 SG CYS A 379 8.989 -1.408 9.536 1.00 0.00 S ATOM 0 H CYS A 379 9.505 -4.617 7.028 1.00 0.00 H new ATOM 0 HA CYS A 379 7.635 -3.801 9.145 1.00 0.00 H new ATOM 0 HB2 CYS A 379 9.050 -1.975 7.198 1.00 0.00 H new ATOM 0 HB3 CYS A 379 7.417 -1.624 7.726 1.00 0.00 H new ATOM 0 HG CYS A 379 9.615 -2.321 10.218 1.00 0.00 H new ATOM 721 N PRO A 380 5.788 -4.144 7.273 1.00 0.00 N ATOM 722 CA PRO A 380 4.778 -4.303 6.229 1.00 0.00 C ATOM 723 C PRO A 380 4.955 -3.204 5.210 1.00 0.00 C ATOM 724 O PRO A 380 5.502 -3.472 4.153 1.00 0.00 O ATOM 725 CB PRO A 380 3.421 -4.322 6.941 1.00 0.00 C ATOM 726 CG PRO A 380 3.677 -3.673 8.298 1.00 0.00 C ATOM 727 CD PRO A 380 5.152 -3.962 8.571 1.00 0.00 C ATOM 0 HA PRO A 380 4.865 -5.230 5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 380 2.671 -3.770 6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 380 3.049 -5.340 7.055 1.00 0.00 H new ATOM 0 HG2 PRO A 380 3.478 -2.602 8.272 1.00 0.00 H new ATOM 0 HG3 PRO A 380 3.037 -4.098 9.071 1.00 0.00 H new ATOM 0 HD2 PRO A 380 5.614 -3.139 9.117 1.00 0.00 H new ATOM 0 HD3 PRO A 380 5.264 -4.855 9.186 1.00 0.00 H new ATOM 735 N VAL A 381 4.479 -1.998 5.499 1.00 0.00 N ATOM 736 CA VAL A 381 4.412 -0.873 4.581 1.00 0.00 C ATOM 737 C VAL A 381 5.692 -0.737 3.713 1.00 0.00 C ATOM 738 O VAL A 381 5.585 -0.598 2.495 1.00 0.00 O ATOM 739 CB VAL A 381 3.976 0.383 5.365 1.00 0.00 C ATOM 740 CG1 VAL A 381 3.609 1.514 4.408 1.00 0.00 C ATOM 741 CG2 VAL A 381 2.793 0.129 6.320 1.00 0.00 C ATOM 0 H VAL A 381 4.113 -1.770 6.423 1.00 0.00 H new ATOM 0 HA VAL A 381 3.645 -1.039 3.824 1.00 0.00 H new ATOM 0 HB VAL A 381 4.835 0.664 5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 381 3.304 2.390 4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 381 4.473 1.765 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 381 2.787 1.196 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 381 2.539 1.054 6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 381 1.931 -0.215 5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 381 3.071 -0.631 7.050 1.00 0.00 H new ATOM 751 N ARG A 382 6.895 -0.930 4.276 1.00 0.00 N ATOM 752 CA ARG A 382 8.132 -0.901 3.492 1.00 0.00 C ATOM 753 C ARG A 382 8.182 -2.028 2.473 1.00 0.00 C ATOM 754 O ARG A 382 8.273 -1.769 1.269 1.00 0.00 O ATOM 755 CB ARG A 382 9.380 -0.950 4.387 1.00 0.00 C ATOM 756 CG ARG A 382 9.518 0.331 5.216 1.00 0.00 C ATOM 757 CD ARG A 382 10.965 0.630 5.593 1.00 0.00 C ATOM 758 NE ARG A 382 11.129 1.977 6.164 1.00 0.00 N ATOM 759 CZ ARG A 382 11.183 3.131 5.474 1.00 0.00 C ATOM 760 NH1 ARG A 382 10.692 3.269 4.248 1.00 0.00 N ATOM 761 NH2 ARG A 382 11.787 4.168 6.043 1.00 0.00 N ATOM 0 H ARG A 382 7.034 -1.107 5.271 1.00 0.00 H new ATOM 0 HA ARG A 382 8.131 0.048 2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 382 9.320 -1.812 5.052 1.00 0.00 H new ATOM 0 HB3 ARG A 382 10.268 -1.084 3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 382 9.112 1.171 4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 382 8.921 0.239 6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 382 11.311 -0.112 6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 382 11.595 0.534 4.709 1.00 0.00 H new ATOM 0 HE ARG A 382 11.209 2.042 7.179 1.00 0.00 H new ATOM 0 HH11 ARG A 382 10.247 2.477 3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 382 10.760 4.167 3.770 1.00 0.00 H new ATOM 0 HH21 ARG A 382 12.192 4.074 6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 382 11.846 5.058 5.548 1.00 0.00 H new ATOM 775 N ALA A 383 8.146 -3.286 2.930 1.00 0.00 N ATOM 776 CA ALA A 383 8.251 -4.399 1.998 1.00 0.00 C ATOM 777 C ALA A 383 6.988 -4.514 1.138 1.00 0.00 C ATOM 778 O ALA A 383 7.031 -5.140 0.084 1.00 0.00 O ATOM 779 CB ALA A 383 8.462 -5.696 2.787 1.00 0.00 C ATOM 0 H ALA A 383 8.048 -3.547 3.911 1.00 0.00 H new ATOM 0 HA ALA A 383 9.098 -4.224 1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 383 8.541 -6.534 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 383 9.378 -5.621 3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 383 7.616 -5.857 3.456 1.00 0.00 H new ATOM 785 N LEU A 384 5.914 -3.808 1.478 1.00 0.00 N ATOM 786 CA LEU A 384 4.646 -3.766 0.780 1.00 0.00 C ATOM 787 C LEU A 384 4.769 -2.867 -0.434 1.00 0.00 C ATOM 788 O LEU A 384 4.313 -3.255 -1.503 1.00 0.00 O ATOM 789 CB LEU A 384 3.610 -3.222 1.760 1.00 0.00 C ATOM 790 CG LEU A 384 2.152 -3.159 1.312 1.00 0.00 C ATOM 791 CD1 LEU A 384 1.581 -4.578 1.247 1.00 0.00 C ATOM 792 CD2 LEU A 384 1.431 -2.357 2.394 1.00 0.00 C ATOM 0 H LEU A 384 5.913 -3.212 2.306 1.00 0.00 H new ATOM 0 HA LEU A 384 4.347 -4.755 0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 384 3.654 -3.831 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 384 3.915 -2.214 2.041 1.00 0.00 H new ATOM 0 HG LEU A 384 2.039 -2.704 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 384 0.540 -4.537 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 384 2.156 -5.169 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 384 1.640 -5.039 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 384 0.375 -2.270 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 384 1.532 -2.866 3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 384 1.871 -1.362 2.463 1.00 0.00 H new ATOM 804 N LEU A 385 5.416 -1.703 -0.317 1.00 0.00 N ATOM 805 CA LEU A 385 5.545 -0.799 -1.460 1.00 0.00 C ATOM 806 C LEU A 385 6.651 -1.280 -2.401 1.00 0.00 C ATOM 807 O LEU A 385 6.612 -0.935 -3.584 1.00 0.00 O ATOM 808 CB LEU A 385 5.742 0.671 -0.995 1.00 0.00 C ATOM 809 CG LEU A 385 4.530 1.180 -0.168 1.00 0.00 C ATOM 810 CD1 LEU A 385 4.669 2.678 0.104 1.00 0.00 C ATOM 811 CD2 LEU A 385 3.170 0.896 -0.820 1.00 0.00 C ATOM 0 H LEU A 385 5.851 -1.370 0.543 1.00 0.00 H new ATOM 0 HA LEU A 385 4.615 -0.815 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 385 6.649 0.744 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 385 5.884 1.312 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 385 4.548 0.620 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 385 3.813 3.023 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 385 5.586 2.863 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 385 4.707 3.218 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 385 2.374 1.281 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 385 3.124 1.384 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 385 3.045 -0.179 -0.947 1.00 0.00 H new ATOM 823 N ALA A 386 7.571 -2.131 -1.928 1.00 0.00 N ATOM 824 CA ALA A 386 8.478 -2.873 -2.799 1.00 0.00 C ATOM 825 C ALA A 386 7.777 -4.055 -3.490 1.00 0.00 C ATOM 826 O ALA A 386 7.973 -4.264 -4.684 1.00 0.00 O ATOM 827 CB ALA A 386 9.663 -3.379 -1.969 1.00 0.00 C ATOM 0 H ALA A 386 7.703 -2.321 -0.935 1.00 0.00 H new ATOM 0 HA ALA A 386 8.824 -2.200 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 386 10.346 -3.935 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 386 10.188 -2.531 -1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 386 9.299 -4.032 -1.176 1.00 0.00 H new ATOM 833 N SER A 387 6.925 -4.800 -2.779 1.00 0.00 N ATOM 834 CA SER A 387 6.391 -6.085 -3.236 1.00 0.00 C ATOM 835 C SER A 387 5.116 -5.899 -4.045 1.00 0.00 C ATOM 836 O SER A 387 4.934 -6.570 -5.058 1.00 0.00 O ATOM 837 CB SER A 387 6.153 -7.060 -2.084 1.00 0.00 C ATOM 838 OG SER A 387 7.354 -7.298 -1.387 1.00 0.00 O ATOM 0 H SER A 387 6.583 -4.523 -1.859 1.00 0.00 H new ATOM 0 HA SER A 387 7.152 -6.522 -3.882 1.00 0.00 H new ATOM 0 HB2 SER A 387 5.405 -6.654 -1.404 1.00 0.00 H new ATOM 0 HB3 SER A 387 5.757 -7.999 -2.470 1.00 0.00 H new ATOM 0 HG SER A 387 7.446 -6.645 -0.662 1.00 0.00 H new ATOM 844 N TRP A 388 4.155 -5.107 -3.559 1.00 0.00 N ATOM 845 CA TRP A 388 2.950 -4.812 -4.323 1.00 0.00 C ATOM 846 C TRP A 388 3.312 -4.324 -5.723 1.00 0.00 C ATOM 847 O TRP A 388 2.722 -4.778 -6.696 1.00 0.00 O ATOM 848 CB TRP A 388 2.063 -3.773 -3.628 1.00 0.00 C ATOM 849 CG TRP A 388 0.758 -3.625 -4.351 1.00 0.00 C ATOM 850 CD1 TRP A 388 -0.086 -4.647 -4.630 1.00 0.00 C ATOM 851 CD2 TRP A 388 0.191 -2.454 -5.017 1.00 0.00 C ATOM 852 NE1 TRP A 388 -1.095 -4.206 -5.458 1.00 0.00 N ATOM 853 CE2 TRP A 388 -1.027 -2.857 -5.644 1.00 0.00 C ATOM 854 CE3 TRP A 388 0.592 -1.112 -5.211 1.00 0.00 C ATOM 855 CZ2 TRP A 388 -1.871 -1.975 -6.316 1.00 0.00 C ATOM 856 CZ3 TRP A 388 -0.240 -0.225 -5.930 1.00 0.00 C ATOM 857 CH2 TRP A 388 -1.474 -0.642 -6.423 1.00 0.00 C ATOM 0 H TRP A 388 4.193 -4.662 -2.642 1.00 0.00 H new ATOM 0 HA TRP A 388 2.383 -5.740 -4.394 1.00 0.00 H new ATOM 0 HB2 TRP A 388 1.881 -4.074 -2.596 1.00 0.00 H new ATOM 0 HB3 TRP A 388 2.577 -2.812 -3.594 1.00 0.00 H new ATOM 0 HD1 TRP A 388 0.017 -5.656 -4.259 1.00 0.00 H new ATOM 0 HE1 TRP A 388 -1.801 -4.810 -5.878 1.00 0.00 H new ATOM 0 HE3 TRP A 388 1.533 -0.766 -4.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 388 -2.804 -2.313 -6.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 388 0.085 0.791 -6.100 1.00 0.00 H new ATOM 0 HH2 TRP A 388 -2.131 0.075 -6.893 1.00 0.00 H new ATOM 868 N GLY A 389 4.342 -3.482 -5.833 1.00 0.00 N ATOM 869 CA GLY A 389 4.795 -2.935 -7.098 1.00 0.00 C ATOM 870 C GLY A 389 5.448 -3.958 -8.040 1.00 0.00 C ATOM 871 O GLY A 389 5.891 -3.568 -9.115 1.00 0.00 O ATOM 0 H GLY A 389 4.886 -3.162 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 389 3.945 -2.482 -7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 389 5.510 -2.137 -6.898 1.00 0.00 H new ATOM 875 N ALA A 390 5.514 -5.248 -7.682 1.00 0.00 N ATOM 876 CA ALA A 390 5.802 -6.311 -8.640 1.00 0.00 C ATOM 877 C ALA A 390 4.581 -6.631 -9.518 1.00 0.00 C ATOM 878 O ALA A 390 4.738 -7.206 -10.595 1.00 0.00 O ATOM 879 CB ALA A 390 6.259 -7.570 -7.893 1.00 0.00 C ATOM 0 H ALA A 390 5.370 -5.576 -6.727 1.00 0.00 H new ATOM 0 HA ALA A 390 6.599 -5.965 -9.298 1.00 0.00 H new ATOM 0 HB1 ALA A 390 6.473 -8.362 -8.611 1.00 0.00 H new ATOM 0 HB2 ALA A 390 7.159 -7.347 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 390 5.470 -7.898 -7.216 1.00 0.00 H new ATOM 885 N GLN A 391 3.365 -6.286 -9.081 1.00 0.00 N ATOM 886 CA GLN A 391 2.184 -6.310 -9.927 1.00 0.00 C ATOM 887 C GLN A 391 2.319 -5.145 -10.916 1.00 0.00 C ATOM 888 O GLN A 391 2.394 -3.999 -10.484 1.00 0.00 O ATOM 889 CB GLN A 391 0.909 -6.127 -9.077 1.00 0.00 C ATOM 890 CG GLN A 391 0.562 -7.231 -8.066 1.00 0.00 C ATOM 891 CD GLN A 391 -0.743 -6.905 -7.320 1.00 0.00 C ATOM 892 OE1 GLN A 391 -1.595 -6.161 -7.804 1.00 0.00 O ATOM 893 NE2 GLN A 391 -0.936 -7.444 -6.125 1.00 0.00 N ATOM 0 H GLN A 391 3.180 -5.982 -8.125 1.00 0.00 H new ATOM 0 HA GLN A 391 2.104 -7.264 -10.448 1.00 0.00 H new ATOM 0 HB2 GLN A 391 1.002 -5.188 -8.531 1.00 0.00 H new ATOM 0 HB3 GLN A 391 0.065 -6.018 -9.758 1.00 0.00 H new ATOM 0 HG2 GLN A 391 0.460 -8.185 -8.584 1.00 0.00 H new ATOM 0 HG3 GLN A 391 1.376 -7.342 -7.350 1.00 0.00 H new ATOM 0 HE21 GLN A 391 -0.230 -8.061 -5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 391 -1.791 -7.242 -5.606 1.00 0.00 H new ATOM 902 N ASP A 392 2.299 -5.377 -12.234 1.00 0.00 N ATOM 903 CA ASP A 392 2.255 -4.249 -13.186 1.00 0.00 C ATOM 904 C ASP A 392 0.962 -3.431 -13.022 1.00 0.00 C ATOM 905 O ASP A 392 0.927 -2.223 -13.270 1.00 0.00 O ATOM 906 CB ASP A 392 2.401 -4.710 -14.643 1.00 0.00 C ATOM 907 CG ASP A 392 2.448 -3.480 -15.558 1.00 0.00 C ATOM 908 OD1 ASP A 392 3.481 -2.775 -15.559 1.00 0.00 O ATOM 909 OD2 ASP A 392 1.412 -3.105 -16.153 1.00 0.00 O ATOM 0 H ASP A 392 2.312 -6.303 -12.661 1.00 0.00 H new ATOM 0 HA ASP A 392 3.109 -3.614 -12.950 1.00 0.00 H new ATOM 0 HB2 ASP A 392 3.309 -5.301 -14.761 1.00 0.00 H new ATOM 0 HB3 ASP A 392 1.565 -5.352 -14.919 1.00 0.00 H new ATOM 914 N SER A 393 -0.097 -4.068 -12.517 1.00 0.00 N ATOM 915 CA SER A 393 -1.349 -3.434 -12.144 1.00 0.00 C ATOM 916 C SER A 393 -1.222 -2.527 -10.912 1.00 0.00 C ATOM 917 O SER A 393 -2.231 -1.955 -10.512 1.00 0.00 O ATOM 918 CB SER A 393 -2.410 -4.529 -11.941 1.00 0.00 C ATOM 919 OG SER A 393 -1.894 -5.673 -11.274 1.00 0.00 O ATOM 0 H SER A 393 -0.099 -5.075 -12.354 1.00 0.00 H new ATOM 0 HA SER A 393 -1.653 -2.769 -12.952 1.00 0.00 H new ATOM 0 HB2 SER A 393 -3.242 -4.122 -11.366 1.00 0.00 H new ATOM 0 HB3 SER A 393 -2.809 -4.827 -12.910 1.00 0.00 H new ATOM 0 HG SER A 393 -2.606 -6.338 -11.167 1.00 0.00 H new ATOM 925 N ALA A 394 -0.041 -2.374 -10.297 1.00 0.00 N ATOM 926 CA ALA A 394 0.138 -1.563 -9.099 1.00 0.00 C ATOM 927 C ALA A 394 0.196 -0.056 -9.405 1.00 0.00 C ATOM 928 O ALA A 394 1.086 0.662 -8.929 1.00 0.00 O ATOM 929 CB ALA A 394 1.388 -2.043 -8.353 1.00 0.00 C ATOM 0 H ALA A 394 0.819 -2.815 -10.624 1.00 0.00 H new ATOM 0 HA ALA A 394 -0.736 -1.694 -8.460 1.00 0.00 H new ATOM 0 HB1 ALA A 394 1.529 -1.441 -7.455 1.00 0.00 H new ATOM 0 HB2 ALA A 394 1.265 -3.089 -8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 394 2.260 -1.940 -9.000 1.00 0.00 H new ATOM 935 N THR A 395 -0.749 0.449 -10.194 1.00 0.00 N ATOM 936 CA THR A 395 -0.828 1.848 -10.576 1.00 0.00 C ATOM 937 C THR A 395 -1.192 2.684 -9.347 1.00 0.00 C ATOM 938 O THR A 395 -1.656 2.155 -8.329 1.00 0.00 O ATOM 939 CB THR A 395 -1.832 1.996 -11.731 1.00 0.00 C ATOM 940 OG1 THR A 395 -3.041 1.334 -11.432 1.00 0.00 O ATOM 941 CG2 THR A 395 -1.266 1.405 -13.029 1.00 0.00 C ATOM 0 H THR A 395 -1.496 -0.120 -10.592 1.00 0.00 H new ATOM 0 HA THR A 395 0.132 2.216 -10.937 1.00 0.00 H new ATOM 0 HB THR A 395 -2.017 3.062 -11.863 1.00 0.00 H new ATOM 0 HG1 THR A 395 -3.748 1.658 -12.029 1.00 0.00 H new ATOM 0 HG21 THR A 395 -1.995 1.522 -13.831 1.00 0.00 H new ATOM 0 HG22 THR A 395 -0.347 1.926 -13.296 1.00 0.00 H new ATOM 0 HG23 THR A 395 -1.053 0.346 -12.884 1.00 0.00 H new ATOM 949 N LEU A 396 -0.997 4.006 -9.410 1.00 0.00 N ATOM 950 CA LEU A 396 -1.483 4.835 -8.311 1.00 0.00 C ATOM 951 C LEU A 396 -3.001 4.688 -8.226 1.00 0.00 C ATOM 952 O LEU A 396 -3.541 4.517 -7.141 1.00 0.00 O ATOM 953 CB LEU A 396 -1.077 6.310 -8.453 1.00 0.00 C ATOM 954 CG LEU A 396 -0.816 6.999 -7.096 1.00 0.00 C ATOM 955 CD1 LEU A 396 -1.863 6.752 -6.003 1.00 0.00 C ATOM 956 CD2 LEU A 396 0.529 6.560 -6.523 1.00 0.00 C ATOM 0 H LEU A 396 -0.531 4.502 -10.170 1.00 0.00 H new ATOM 0 HA LEU A 396 -1.019 4.489 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 396 -0.178 6.376 -9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 396 -1.864 6.848 -8.982 1.00 0.00 H new ATOM 0 HG LEU A 396 -0.851 8.060 -7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 396 -1.575 7.285 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 396 -2.835 7.111 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 396 -1.924 5.684 -5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 396 0.696 7.055 -5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 396 0.527 5.480 -6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 396 1.326 6.831 -7.216 1.00 0.00 H new ATOM 968 N ASP A 397 -3.681 4.638 -9.372 1.00 0.00 N ATOM 969 CA ASP A 397 -5.132 4.520 -9.466 1.00 0.00 C ATOM 970 C ASP A 397 -5.638 3.157 -8.990 1.00 0.00 C ATOM 971 O ASP A 397 -6.780 3.083 -8.534 1.00 0.00 O ATOM 972 CB ASP A 397 -5.603 4.800 -10.902 1.00 0.00 C ATOM 973 CG ASP A 397 -4.766 4.033 -11.921 1.00 0.00 C ATOM 974 OD1 ASP A 397 -5.058 2.848 -12.186 1.00 0.00 O ATOM 975 OD2 ASP A 397 -3.724 4.599 -12.315 1.00 0.00 O ATOM 0 H ASP A 397 -3.224 4.680 -10.283 1.00 0.00 H new ATOM 0 HA ASP A 397 -5.559 5.269 -8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 397 -6.651 4.519 -11.004 1.00 0.00 H new ATOM 0 HB3 ASP A 397 -5.538 5.869 -11.106 1.00 0.00 H new ATOM 980 N ALA A 398 -4.773 2.144 -8.896 1.00 0.00 N ATOM 981 CA ALA A 398 -5.112 0.851 -8.313 1.00 0.00 C ATOM 982 C ALA A 398 -5.088 0.994 -6.797 1.00 0.00 C ATOM 983 O ALA A 398 -6.056 0.624 -6.133 1.00 0.00 O ATOM 984 CB ALA A 398 -4.080 -0.215 -8.714 1.00 0.00 C ATOM 0 H ALA A 398 -3.810 2.203 -9.227 1.00 0.00 H new ATOM 0 HA ALA A 398 -6.095 0.544 -8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 398 -4.353 -1.171 -8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 398 -4.061 -0.313 -9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 398 -3.093 0.082 -8.359 1.00 0.00 H new ATOM 990 N LEU A 399 -4.011 1.560 -6.249 1.00 0.00 N ATOM 991 CA LEU A 399 -3.829 1.730 -4.811 1.00 0.00 C ATOM 992 C LEU A 399 -4.918 2.627 -4.240 1.00 0.00 C ATOM 993 O LEU A 399 -5.495 2.360 -3.188 1.00 0.00 O ATOM 994 CB LEU A 399 -2.463 2.388 -4.593 1.00 0.00 C ATOM 995 CG LEU A 399 -2.043 2.553 -3.125 1.00 0.00 C ATOM 996 CD1 LEU A 399 -1.739 1.210 -2.458 1.00 0.00 C ATOM 997 CD2 LEU A 399 -0.766 3.382 -3.137 1.00 0.00 C ATOM 0 H LEU A 399 -3.232 1.917 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 399 -3.884 0.764 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 399 -1.706 1.795 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 399 -2.472 3.371 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 399 -2.853 3.020 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 399 -1.446 1.377 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 399 -2.628 0.580 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 399 -0.926 0.716 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 399 -0.420 3.532 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 399 0.002 2.859 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 399 -0.965 4.349 -3.598 1.00 0.00 H new ATOM 1009 N LEU A 400 -5.225 3.683 -4.982 1.00 0.00 N ATOM 1010 CA LEU A 400 -6.186 4.703 -4.656 1.00 0.00 C ATOM 1011 C LEU A 400 -7.601 4.121 -4.704 1.00 0.00 C ATOM 1012 O LEU A 400 -8.444 4.461 -3.873 1.00 0.00 O ATOM 1013 CB LEU A 400 -5.961 5.802 -5.720 1.00 0.00 C ATOM 1014 CG LEU A 400 -7.081 6.791 -6.063 1.00 0.00 C ATOM 1015 CD1 LEU A 400 -6.470 8.065 -6.667 1.00 0.00 C ATOM 1016 CD2 LEU A 400 -8.091 6.280 -7.107 1.00 0.00 C ATOM 0 H LEU A 400 -4.776 3.851 -5.882 1.00 0.00 H new ATOM 0 HA LEU A 400 -6.068 5.105 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 400 -5.100 6.389 -5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 400 -5.679 5.301 -6.646 1.00 0.00 H new ATOM 0 HG LEU A 400 -7.606 6.955 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 400 -7.265 8.769 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 400 -5.791 8.520 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 400 -5.920 7.810 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 400 -8.846 7.045 -7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 400 -7.570 6.058 -8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 400 -8.572 5.375 -6.735 1.00 0.00 H new ATOM 1028 N ALA A 401 -7.899 3.279 -5.700 1.00 0.00 N ATOM 1029 CA ALA A 401 -9.201 2.637 -5.817 1.00 0.00 C ATOM 1030 C ALA A 401 -9.373 1.587 -4.730 1.00 0.00 C ATOM 1031 O ALA A 401 -10.461 1.482 -4.168 1.00 0.00 O ATOM 1032 CB ALA A 401 -9.349 1.978 -7.186 1.00 0.00 C ATOM 0 H ALA A 401 -7.244 3.028 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 401 -9.969 3.402 -5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -10.327 1.503 -7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -9.255 2.734 -7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 401 -8.570 1.226 -7.314 1.00 0.00 H new ATOM 1038 N ALA A 402 -8.321 0.816 -4.446 1.00 0.00 N ATOM 1039 CA ALA A 402 -8.291 -0.133 -3.352 1.00 0.00 C ATOM 1040 C ALA A 402 -8.584 0.614 -2.049 1.00 0.00 C ATOM 1041 O ALA A 402 -9.499 0.214 -1.346 1.00 0.00 O ATOM 1042 CB ALA A 402 -6.957 -0.888 -3.356 1.00 0.00 C ATOM 0 H ALA A 402 -7.455 0.841 -4.985 1.00 0.00 H new ATOM 0 HA ALA A 402 -9.062 -0.896 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 402 -6.940 -1.600 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 402 -6.844 -1.422 -4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 402 -6.137 -0.179 -3.240 1.00 0.00 H new ATOM 1048 N LEU A 403 -7.927 1.746 -1.770 1.00 0.00 N ATOM 1049 CA LEU A 403 -8.196 2.550 -0.567 1.00 0.00 C ATOM 1050 C LEU A 403 -9.650 2.989 -0.486 1.00 0.00 C ATOM 1051 O LEU A 403 -10.304 2.854 0.549 1.00 0.00 O ATOM 1052 CB LEU A 403 -7.314 3.805 -0.527 1.00 0.00 C ATOM 1053 CG LEU A 403 -5.943 3.623 0.123 1.00 0.00 C ATOM 1054 CD1 LEU A 403 -5.120 4.866 -0.230 1.00 0.00 C ATOM 1055 CD2 LEU A 403 -6.097 3.454 1.641 1.00 0.00 C ATOM 0 H LEU A 403 -7.196 2.131 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 403 -7.968 1.906 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -7.169 4.159 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -7.850 4.588 0.009 1.00 0.00 H new ATOM 0 HG LEU A 403 -5.440 2.727 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -4.128 4.783 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -5.028 4.946 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -5.618 5.754 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -5.114 3.325 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -6.576 4.339 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -6.710 2.577 1.849 1.00 0.00 H new ATOM 1067 N ARG A 404 -10.167 3.532 -1.585 1.00 0.00 N ATOM 1068 CA ARG A 404 -11.552 3.965 -1.672 1.00 0.00 C ATOM 1069 C ARG A 404 -12.512 2.802 -1.428 1.00 0.00 C ATOM 1070 O ARG A 404 -13.622 3.052 -0.968 1.00 0.00 O ATOM 1071 CB ARG A 404 -11.777 4.698 -2.996 1.00 0.00 C ATOM 1072 CG ARG A 404 -13.188 5.298 -3.104 1.00 0.00 C ATOM 1073 CD ARG A 404 -13.262 6.453 -4.112 1.00 0.00 C ATOM 1074 NE ARG A 404 -12.797 6.071 -5.459 1.00 0.00 N ATOM 1075 CZ ARG A 404 -11.599 6.341 -5.998 1.00 0.00 C ATOM 1076 NH1 ARG A 404 -10.678 7.025 -5.319 1.00 0.00 N ATOM 1077 NH2 ARG A 404 -11.331 5.913 -7.230 1.00 0.00 N ATOM 0 H ARG A 404 -9.633 3.683 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 404 -11.770 4.679 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 404 -11.039 5.493 -3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 404 -11.616 4.006 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 404 -13.889 4.517 -3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 404 -13.503 5.655 -2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 404 -14.291 6.808 -4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 404 -12.660 7.285 -3.748 1.00 0.00 H new ATOM 0 HE ARG A 404 -13.453 5.549 -6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 404 -10.879 7.352 -4.374 1.00 0.00 H new ATOM 0 HH12 ARG A 404 -9.772 7.221 -5.744 1.00 0.00 H new ATOM 0 HH21 ARG A 404 -12.033 5.387 -7.751 1.00 0.00 H new ATOM 0 HH22 ARG A 404 -10.424 6.111 -7.653 1.00 0.00 H new ATOM 1091 N ARG A 405 -12.127 1.562 -1.738 1.00 0.00 N ATOM 1092 CA ARG A 405 -12.938 0.380 -1.481 1.00 0.00 C ATOM 1093 C ARG A 405 -13.251 0.235 0.009 1.00 0.00 C ATOM 1094 O ARG A 405 -14.418 0.039 0.334 1.00 0.00 O ATOM 1095 CB ARG A 405 -12.249 -0.862 -2.073 1.00 0.00 C ATOM 1096 CG ARG A 405 -13.283 -1.902 -2.524 1.00 0.00 C ATOM 1097 CD ARG A 405 -12.709 -3.137 -3.242 1.00 0.00 C ATOM 1098 NE ARG A 405 -11.558 -2.836 -4.122 1.00 0.00 N ATOM 1099 CZ ARG A 405 -10.471 -3.607 -4.279 1.00 0.00 C ATOM 1100 NH1 ARG A 405 -10.364 -4.798 -3.709 1.00 0.00 N ATOM 1101 NH2 ARG A 405 -9.449 -3.184 -5.019 1.00 0.00 N ATOM 0 H ARG A 405 -11.232 1.353 -2.180 1.00 0.00 H new ATOM 0 HA ARG A 405 -13.902 0.489 -1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -11.629 -0.569 -2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -11.585 -1.303 -1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -13.840 -2.238 -1.650 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -13.996 -1.415 -3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -12.402 -3.869 -2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -13.497 -3.599 -3.836 1.00 0.00 H new ATOM 0 HE ARG A 405 -11.594 -1.967 -4.655 1.00 0.00 H new ATOM 0 HH11 ARG A 405 -11.123 -5.156 -3.129 1.00 0.00 H new ATOM 0 HH12 ARG A 405 -9.523 -5.357 -3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -9.490 -2.270 -5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -8.625 -3.774 -5.135 1.00 0.00 H new ATOM 1115 N ILE A 406 -12.284 0.457 0.912 1.00 0.00 N ATOM 1116 CA ILE A 406 -12.556 0.485 2.356 1.00 0.00 C ATOM 1117 C ILE A 406 -12.937 1.897 2.833 1.00 0.00 C ATOM 1118 O ILE A 406 -12.873 2.187 4.026 1.00 0.00 O ATOM 1119 CB ILE A 406 -11.398 -0.134 3.175 1.00 0.00 C ATOM 1120 CG1 ILE A 406 -10.006 0.493 2.952 1.00 0.00 C ATOM 1121 CG2 ILE A 406 -11.361 -1.648 2.962 1.00 0.00 C ATOM 1122 CD1 ILE A 406 -9.143 -0.172 1.878 1.00 0.00 C ATOM 0 H ILE A 406 -11.307 0.620 0.667 1.00 0.00 H new ATOM 0 HA ILE A 406 -13.425 -0.147 2.538 1.00 0.00 H new ATOM 0 HB ILE A 406 -11.626 0.101 4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -10.139 1.542 2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -9.461 0.469 3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -10.544 -2.077 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -12.305 -2.084 3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -11.208 -1.863 1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -8.188 0.348 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -8.969 -1.214 2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -9.656 -0.124 0.918 1.00 0.00 H new ATOM 1134 N GLN A 407 -13.307 2.793 1.913 1.00 0.00 N ATOM 1135 CA GLN A 407 -13.594 4.207 2.127 1.00 0.00 C ATOM 1136 C GLN A 407 -12.476 4.965 2.864 1.00 0.00 C ATOM 1137 O GLN A 407 -12.712 6.073 3.349 1.00 0.00 O ATOM 1138 CB GLN A 407 -14.983 4.373 2.778 1.00 0.00 C ATOM 1139 CG GLN A 407 -15.622 5.750 2.498 1.00 0.00 C ATOM 1140 CD GLN A 407 -16.050 6.477 3.772 1.00 0.00 C ATOM 1141 OE1 GLN A 407 -17.231 6.590 4.073 1.00 0.00 O ATOM 1142 NE2 GLN A 407 -15.103 7.000 4.533 1.00 0.00 N ATOM 0 H GLN A 407 -13.420 2.528 0.935 1.00 0.00 H new ATOM 0 HA GLN A 407 -13.624 4.686 1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 407 -15.646 3.590 2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 407 -14.892 4.234 3.855 1.00 0.00 H new ATOM 0 HG2 GLN A 407 -14.911 6.371 1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 407 -16.490 5.618 1.852 1.00 0.00 H new ATOM 0 HE21 GLN A 407 -14.123 6.898 4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 407 -15.353 7.505 5.383 1.00 0.00 H new ATOM 1151 N ARG A 408 -11.247 4.441 2.902 1.00 0.00 N ATOM 1152 CA ARG A 408 -10.092 5.142 3.479 1.00 0.00 C ATOM 1153 C ARG A 408 -9.552 6.157 2.458 1.00 0.00 C ATOM 1154 O ARG A 408 -8.406 6.088 2.012 1.00 0.00 O ATOM 1155 CB ARG A 408 -9.040 4.131 3.951 1.00 0.00 C ATOM 1156 CG ARG A 408 -9.541 3.228 5.096 1.00 0.00 C ATOM 1157 CD ARG A 408 -9.412 3.823 6.508 1.00 0.00 C ATOM 1158 NE ARG A 408 -9.686 2.777 7.520 1.00 0.00 N ATOM 1159 CZ ARG A 408 -8.970 2.497 8.625 1.00 0.00 C ATOM 1160 NH1 ARG A 408 -8.004 3.292 9.052 1.00 0.00 N ATOM 1161 NH2 ARG A 408 -9.177 1.395 9.332 1.00 0.00 N ATOM 0 H ARG A 408 -11.023 3.517 2.533 1.00 0.00 H new ATOM 0 HA ARG A 408 -10.389 5.705 4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 408 -8.740 3.507 3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 408 -8.151 4.668 4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 408 -10.589 2.988 4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 408 -8.989 2.289 5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 408 -8.410 4.228 6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 408 -10.111 4.651 6.629 1.00 0.00 H new ATOM 0 HE ARG A 408 -10.513 2.202 7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 408 -7.783 4.146 8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 408 -7.480 3.051 9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 408 -9.895 0.731 9.043 1.00 0.00 H new ATOM 0 HH22 ARG A 408 -8.618 1.211 10.165 1.00 0.00 H new ATOM 1175 N ALA A 409 -10.433 7.034 1.976 1.00 0.00 N ATOM 1176 CA ALA A 409 -10.156 8.013 0.933 1.00 0.00 C ATOM 1177 C ALA A 409 -9.329 9.192 1.452 1.00 0.00 C ATOM 1178 O ALA A 409 -8.736 9.902 0.650 1.00 0.00 O ATOM 1179 CB ALA A 409 -11.485 8.485 0.339 1.00 0.00 C ATOM 0 H ALA A 409 -11.394 7.081 2.316 1.00 0.00 H new ATOM 0 HA ALA A 409 -9.553 7.540 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 409 -11.293 9.219 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 409 -12.017 7.633 -0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 409 -12.092 8.940 1.122 1.00 0.00 H new ATOM 1185 N ASP A 410 -9.231 9.351 2.767 1.00 0.00 N ATOM 1186 CA ASP A 410 -8.296 10.233 3.454 1.00 0.00 C ATOM 1187 C ASP A 410 -6.877 10.012 2.932 1.00 0.00 C ATOM 1188 O ASP A 410 -6.224 10.954 2.482 1.00 0.00 O ATOM 1189 CB ASP A 410 -8.402 9.999 4.978 1.00 0.00 C ATOM 1190 CG ASP A 410 -8.251 8.526 5.401 1.00 0.00 C ATOM 1191 OD1 ASP A 410 -9.106 7.710 4.976 1.00 0.00 O ATOM 1192 OD2 ASP A 410 -7.281 8.195 6.111 1.00 0.00 O ATOM 0 H ASP A 410 -9.832 8.842 3.415 1.00 0.00 H new ATOM 0 HA ASP A 410 -8.548 11.274 3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 410 -7.636 10.590 5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 410 -9.367 10.368 5.325 1.00 0.00 H new ATOM 1197 N ILE A 411 -6.406 8.764 2.899 1.00 0.00 N ATOM 1198 CA ILE A 411 -5.066 8.478 2.405 1.00 0.00 C ATOM 1199 C ILE A 411 -4.963 8.769 0.904 1.00 0.00 C ATOM 1200 O ILE A 411 -3.864 8.996 0.427 1.00 0.00 O ATOM 1201 CB ILE A 411 -4.553 7.069 2.785 1.00 0.00 C ATOM 1202 CG1 ILE A 411 -4.795 6.771 4.282 1.00 0.00 C ATOM 1203 CG2 ILE A 411 -3.052 6.980 2.428 1.00 0.00 C ATOM 1204 CD1 ILE A 411 -4.408 5.356 4.711 1.00 0.00 C ATOM 0 H ILE A 411 -6.930 7.945 3.206 1.00 0.00 H new ATOM 0 HA ILE A 411 -4.388 9.160 2.918 1.00 0.00 H new ATOM 0 HB ILE A 411 -5.104 6.315 2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 411 -4.230 7.487 4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 411 -5.850 6.931 4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 411 -2.674 5.992 2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 411 -2.922 7.147 1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 411 -2.500 7.738 2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 411 -4.610 5.230 5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 411 -4.991 4.631 4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 411 -3.347 5.196 4.521 1.00 0.00 H new ATOM 1216 N VAL A 412 -6.032 8.674 0.114 1.00 0.00 N ATOM 1217 CA VAL A 412 -5.962 8.914 -1.327 1.00 0.00 C ATOM 1218 C VAL A 412 -5.519 10.335 -1.668 1.00 0.00 C ATOM 1219 O VAL A 412 -4.597 10.493 -2.468 1.00 0.00 O ATOM 1220 CB VAL A 412 -7.318 8.569 -1.985 1.00 0.00 C ATOM 1221 CG1 VAL A 412 -7.409 9.029 -3.441 1.00 0.00 C ATOM 1222 CG2 VAL A 412 -7.604 7.066 -1.893 1.00 0.00 C ATOM 0 H VAL A 412 -6.963 8.431 0.451 1.00 0.00 H new ATOM 0 HA VAL A 412 -5.194 8.256 -1.734 1.00 0.00 H new ATOM 0 HB VAL A 412 -8.076 9.117 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 412 -8.383 8.758 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 412 -7.283 10.111 -3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 412 -6.625 8.546 -4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 412 -8.563 6.849 -2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 412 -6.816 6.514 -2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 412 -7.636 6.765 -0.846 1.00 0.00 H new ATOM 1232 N GLU A 413 -6.203 11.367 -1.176 1.00 0.00 N ATOM 1233 CA GLU A 413 -5.754 12.731 -1.468 1.00 0.00 C ATOM 1234 C GLU A 413 -4.344 12.973 -0.911 1.00 0.00 C ATOM 1235 O GLU A 413 -3.498 13.588 -1.566 1.00 0.00 O ATOM 1236 CB GLU A 413 -6.832 13.764 -1.115 1.00 0.00 C ATOM 1237 CG GLU A 413 -7.283 13.770 0.347 1.00 0.00 C ATOM 1238 CD GLU A 413 -8.578 14.580 0.502 1.00 0.00 C ATOM 1239 OE1 GLU A 413 -9.638 14.054 0.088 1.00 0.00 O ATOM 1240 OE2 GLU A 413 -8.499 15.726 0.998 1.00 0.00 O ATOM 0 H GLU A 413 -7.038 11.294 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 413 -5.631 12.866 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -6.456 14.756 -1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.703 13.585 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -7.442 12.748 0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -6.501 14.198 0.974 1.00 0.00 H new ATOM 1247 N SER A 414 -4.053 12.372 0.243 1.00 0.00 N ATOM 1248 CA SER A 414 -2.778 12.495 0.927 1.00 0.00 C ATOM 1249 C SER A 414 -1.665 11.718 0.189 1.00 0.00 C ATOM 1250 O SER A 414 -0.501 12.096 0.261 1.00 0.00 O ATOM 1251 CB SER A 414 -3.010 11.980 2.344 1.00 0.00 C ATOM 1252 OG SER A 414 -2.113 12.573 3.258 1.00 0.00 O ATOM 0 H SER A 414 -4.717 11.774 0.735 1.00 0.00 H new ATOM 0 HA SER A 414 -2.432 13.528 0.949 1.00 0.00 H new ATOM 0 HB2 SER A 414 -4.035 12.193 2.647 1.00 0.00 H new ATOM 0 HB3 SER A 414 -2.890 10.897 2.364 1.00 0.00 H new ATOM 0 HG SER A 414 -2.536 12.633 4.140 1.00 0.00 H new ATOM 1258 N LEU A 415 -2.007 10.639 -0.525 1.00 0.00 N ATOM 1259 CA LEU A 415 -1.136 9.923 -1.470 1.00 0.00 C ATOM 1260 C LEU A 415 -0.546 10.833 -2.510 1.00 0.00 C ATOM 1261 O LEU A 415 0.612 10.622 -2.878 1.00 0.00 O ATOM 1262 CB LEU A 415 -1.817 8.760 -2.235 1.00 0.00 C ATOM 1263 CG LEU A 415 -1.507 7.350 -1.737 1.00 0.00 C ATOM 1264 CD1 LEU A 415 -2.550 6.336 -2.214 1.00 0.00 C ATOM 1265 CD2 LEU A 415 -0.178 6.896 -2.356 1.00 0.00 C ATOM 0 H LEU A 415 -2.936 10.222 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 415 -0.367 9.512 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -2.896 8.908 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -1.527 8.824 -3.284 1.00 0.00 H new ATOM 0 HG LEU A 415 -1.488 7.387 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -2.293 5.346 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -3.533 6.622 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -2.568 6.317 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 415 0.059 5.890 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 415 -0.264 6.896 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 415 0.616 7.579 -2.055 1.00 0.00 H new