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 366 TYR OH : rot -31:sc= 0.0687 USER MOD Set 1.2: A 387 SER OG : rot -71:sc= 0.154 USER MOD Set 1.3: A 391 GLN : amide:sc= 0.912 X(o=1.1,f=0.76) USER MOD Set 2.1: A 353 ASN : amide:sc= 0.564 K(o=1.7,f=-3.3!) USER MOD Set 2.2: A 356 THR OG1 : rot 84:sc= 1.11 USER MOD Single : A 337 TYR OH : rot -49:sc= -0.601 USER MOD Single : A 338 SER OG : rot -147:sc= 1.33 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 344 LYS NZ :NH3+ 178:sc= 2.28 (180deg=2.17) USER MOD Single : A 350 LYS NZ :NH3+ -114:sc= -1.44 (180deg=-2.85!) USER MOD Single : A 359 HIS : no HE2:sc= 0.526 K(o=0.53,f=-1.7!) USER MOD Single : A 367 GLN : amide:sc= 1.12 K(o=1.1,f=-0.0025) USER MOD Single : A 370 HIS : no HD1:sc= -0.0699 X(o=-0.07,f=0) USER MOD Single : A 373 SER OG : rot 98:sc= 0.157 USER MOD Single : A 375 THR OG1 : rot -35:sc= 0.399 USER MOD Single : A 376 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 379 CYS SG : rot 28:sc= 0.568 USER MOD Single : A 393 SER OG : rot -79:sc= 1.19 USER MOD Single : A 395 THR OG1 : rot 82:sc= 1.17 USER MOD Single : A 407 GLN : amide:sc= 0.897 K(o=0.9,f=0) USER MOD Single : A 414 SER OG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 336 3.362 3.759 -11.926 1.00 0.00 N ATOM 25 CA LEU A 336 3.524 2.793 -10.851 1.00 0.00 C ATOM 26 C LEU A 336 3.678 3.444 -9.471 1.00 0.00 C ATOM 27 O LEU A 336 3.840 4.657 -9.338 1.00 0.00 O ATOM 28 CB LEU A 336 4.672 1.809 -11.178 1.00 0.00 C ATOM 29 CG LEU A 336 4.121 0.386 -11.328 1.00 0.00 C ATOM 30 CD1 LEU A 336 5.187 -0.565 -11.850 1.00 0.00 C ATOM 31 CD2 LEU A 336 3.607 -0.170 -9.998 1.00 0.00 C ATOM 0 HA LEU A 336 2.599 2.220 -10.787 1.00 0.00 H new ATOM 0 HB2 LEU A 336 5.171 2.113 -12.098 1.00 0.00 H new ATOM 0 HB3 LEU A 336 5.421 1.836 -10.386 1.00 0.00 H new ATOM 0 HG LEU A 336 3.297 0.455 -12.038 1.00 0.00 H new ATOM 0 HD11 LEU A 336 4.766 -1.566 -11.946 1.00 0.00 H new ATOM 0 HD12 LEU A 336 5.534 -0.223 -12.825 1.00 0.00 H new ATOM 0 HD13 LEU A 336 6.026 -0.589 -11.154 1.00 0.00 H new ATOM 0 HD21 LEU A 336 3.226 -1.180 -10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 336 4.422 -0.194 -9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 336 2.807 0.468 -9.622 1.00 0.00 H new ATOM 43 N TYR A 337 3.784 2.606 -8.444 1.00 0.00 N ATOM 44 CA TYR A 337 3.837 3.040 -7.057 1.00 0.00 C ATOM 45 C TYR A 337 5.302 3.122 -6.651 1.00 0.00 C ATOM 46 O TYR A 337 5.763 4.158 -6.174 1.00 0.00 O ATOM 47 CB TYR A 337 3.052 2.061 -6.173 1.00 0.00 C ATOM 48 CG TYR A 337 2.517 2.708 -4.913 1.00 0.00 C ATOM 49 CD1 TYR A 337 3.366 3.254 -3.927 1.00 0.00 C ATOM 50 CD2 TYR A 337 1.128 2.814 -4.760 1.00 0.00 C ATOM 51 CE1 TYR A 337 2.818 3.883 -2.788 1.00 0.00 C ATOM 52 CE2 TYR A 337 0.589 3.449 -3.639 1.00 0.00 C ATOM 53 CZ TYR A 337 1.416 3.945 -2.621 1.00 0.00 C ATOM 54 OH TYR A 337 0.840 4.384 -1.477 1.00 0.00 O ATOM 0 H TYR A 337 3.836 1.594 -8.556 1.00 0.00 H new ATOM 0 HA TYR A 337 3.377 4.020 -6.934 1.00 0.00 H new ATOM 0 HB2 TYR A 337 2.221 1.648 -6.745 1.00 0.00 H new ATOM 0 HB3 TYR A 337 3.698 1.226 -5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 337 4.438 3.191 -4.044 1.00 0.00 H new ATOM 0 HD2 TYR A 337 0.471 2.403 -5.512 1.00 0.00 H new ATOM 0 HE1 TYR A 337 3.470 4.317 -2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 337 -0.482 3.560 -3.555 1.00 0.00 H new ATOM 0 HH TYR A 337 1.250 3.932 -0.710 1.00 0.00 H new ATOM 64 N SER A 338 6.027 2.039 -6.920 1.00 0.00 N ATOM 65 CA SER A 338 7.470 1.905 -6.896 1.00 0.00 C ATOM 66 C SER A 338 8.180 2.869 -7.857 1.00 0.00 C ATOM 67 O SER A 338 9.355 3.167 -7.668 1.00 0.00 O ATOM 68 CB SER A 338 7.733 0.430 -7.237 1.00 0.00 C ATOM 69 OG SER A 338 7.156 0.141 -8.505 1.00 0.00 O ATOM 0 H SER A 338 5.576 1.162 -7.182 1.00 0.00 H new ATOM 0 HA SER A 338 7.878 2.175 -5.922 1.00 0.00 H new ATOM 0 HB2 SER A 338 8.805 0.233 -7.257 1.00 0.00 H new ATOM 0 HB3 SER A 338 7.304 -0.216 -6.471 1.00 0.00 H new ATOM 0 HG SER A 338 6.840 -0.787 -8.517 1.00 0.00 H new ATOM 75 N SER A 339 7.467 3.394 -8.863 1.00 0.00 N ATOM 76 CA SER A 339 8.033 4.303 -9.845 1.00 0.00 C ATOM 77 C SER A 339 8.536 5.583 -9.181 1.00 0.00 C ATOM 78 O SER A 339 9.506 6.153 -9.665 1.00 0.00 O ATOM 79 CB SER A 339 6.991 4.623 -10.923 1.00 0.00 C ATOM 80 OG SER A 339 7.576 5.222 -12.060 1.00 0.00 O ATOM 0 H SER A 339 6.478 3.194 -9.011 1.00 0.00 H new ATOM 0 HA SER A 339 8.887 3.817 -10.316 1.00 0.00 H new ATOM 0 HB2 SER A 339 6.481 3.706 -11.218 1.00 0.00 H new ATOM 0 HB3 SER A 339 6.235 5.290 -10.510 1.00 0.00 H new ATOM 0 HG SER A 339 6.881 5.410 -12.725 1.00 0.00 H new ATOM 86 N LEU A 340 7.810 6.137 -8.204 1.00 0.00 N ATOM 87 CA LEU A 340 8.336 7.063 -7.204 1.00 0.00 C ATOM 88 C LEU A 340 9.421 6.404 -6.333 1.00 0.00 C ATOM 89 O LEU A 340 9.026 5.687 -5.413 1.00 0.00 O ATOM 90 CB LEU A 340 7.177 7.650 -6.365 1.00 0.00 C ATOM 91 CG LEU A 340 6.908 9.127 -6.695 1.00 0.00 C ATOM 92 CD1 LEU A 340 5.573 9.561 -6.081 1.00 0.00 C ATOM 93 CD2 LEU A 340 8.028 10.026 -6.151 1.00 0.00 C ATOM 0 H LEU A 340 6.815 5.947 -8.087 1.00 0.00 H new ATOM 0 HA LEU A 340 8.826 7.890 -7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 340 6.272 7.069 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 340 7.414 7.554 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 340 6.871 9.230 -7.779 1.00 0.00 H new ATOM 0 HD11 LEU A 340 5.387 10.609 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 340 4.769 8.949 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 340 5.612 9.435 -4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 340 7.813 11.065 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 340 8.089 9.916 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 340 8.978 9.736 -6.600 1.00 0.00 H new ATOM 152 N LYS A 344 8.497 10.725 -0.885 1.00 0.00 N ATOM 153 CA LYS A 344 7.052 10.525 -0.887 1.00 0.00 C ATOM 154 C LYS A 344 6.699 9.110 -0.410 1.00 0.00 C ATOM 155 O LYS A 344 5.666 8.980 0.226 1.00 0.00 O ATOM 156 CB LYS A 344 6.403 10.942 -2.220 1.00 0.00 C ATOM 157 CG LYS A 344 4.857 11.000 -2.201 1.00 0.00 C ATOM 158 CD LYS A 344 4.220 12.012 -1.227 1.00 0.00 C ATOM 159 CE LYS A 344 2.688 12.035 -1.397 1.00 0.00 C ATOM 160 NZ LYS A 344 1.990 12.704 -0.276 1.00 0.00 N ATOM 0 HA LYS A 344 6.606 11.202 -0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 344 6.786 11.923 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 344 6.716 10.242 -2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 344 4.512 11.232 -3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 344 4.481 10.007 -1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 344 4.474 11.747 -0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 344 4.627 13.007 -1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 344 2.439 12.544 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 344 2.323 11.012 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 344 0.967 12.718 -0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 344 2.174 12.185 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 344 2.338 13.679 -0.183 1.00 0.00 H new ATOM 174 N ARG A 345 7.431 8.027 -0.739 1.00 0.00 N ATOM 175 CA ARG A 345 7.134 6.726 -0.121 1.00 0.00 C ATOM 176 C ARG A 345 7.267 6.771 1.404 1.00 0.00 C ATOM 177 O ARG A 345 6.352 6.298 2.057 1.00 0.00 O ATOM 178 CB ARG A 345 7.935 5.555 -0.714 1.00 0.00 C ATOM 179 CG ARG A 345 7.726 5.182 -2.200 1.00 0.00 C ATOM 180 CD ARG A 345 6.309 5.125 -2.796 1.00 0.00 C ATOM 181 NE ARG A 345 5.582 6.413 -2.787 1.00 0.00 N ATOM 182 CZ ARG A 345 4.634 6.812 -3.650 1.00 0.00 C ATOM 183 NH1 ARG A 345 4.415 6.171 -4.793 1.00 0.00 N ATOM 184 NH2 ARG A 345 3.886 7.873 -3.360 1.00 0.00 N ATOM 0 H ARG A 345 8.204 8.026 -1.405 1.00 0.00 H new ATOM 0 HA ARG A 345 6.090 6.529 -0.366 1.00 0.00 H new ATOM 0 HB2 ARG A 345 8.993 5.776 -0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 345 7.714 4.670 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 345 8.297 5.895 -2.795 1.00 0.00 H new ATOM 0 HG3 ARG A 345 8.180 4.203 -2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 345 6.376 4.768 -3.824 1.00 0.00 H new ATOM 0 HD3 ARG A 345 5.726 4.390 -2.241 1.00 0.00 H new ATOM 0 HE ARG A 345 5.827 7.069 -2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 345 4.974 5.353 -5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 345 3.688 6.497 -5.429 1.00 0.00 H new ATOM 0 HH21 ARG A 345 4.034 8.378 -2.486 1.00 0.00 H new ATOM 0 HH22 ARG A 345 3.164 8.181 -4.011 1.00 0.00 H new ATOM 198 N GLU A 346 8.302 7.392 1.963 1.00 0.00 N ATOM 199 CA GLU A 346 8.492 7.509 3.419 1.00 0.00 C ATOM 200 C GLU A 346 7.292 8.241 4.041 1.00 0.00 C ATOM 201 O GLU A 346 6.710 7.816 5.039 1.00 0.00 O ATOM 202 CB GLU A 346 9.781 8.302 3.724 1.00 0.00 C ATOM 203 CG GLU A 346 11.088 7.689 3.187 1.00 0.00 C ATOM 204 CD GLU A 346 11.795 6.750 4.169 1.00 0.00 C ATOM 205 OE1 GLU A 346 11.184 6.299 5.159 1.00 0.00 O ATOM 206 OE2 GLU A 346 12.984 6.443 3.935 1.00 0.00 O ATOM 0 H GLU A 346 9.043 7.835 1.419 1.00 0.00 H new ATOM 0 HA GLU A 346 8.574 6.508 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 346 9.675 9.305 3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 346 9.870 8.412 4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 346 10.868 7.140 2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 346 11.770 8.496 2.919 1.00 0.00 H new ATOM 213 N GLU A 347 6.886 9.350 3.420 1.00 0.00 N ATOM 214 CA GLU A 347 5.730 10.137 3.826 1.00 0.00 C ATOM 215 C GLU A 347 4.461 9.267 3.781 1.00 0.00 C ATOM 216 O GLU A 347 3.628 9.312 4.690 1.00 0.00 O ATOM 217 CB GLU A 347 5.681 11.375 2.911 1.00 0.00 C ATOM 218 CG GLU A 347 4.770 12.513 3.389 1.00 0.00 C ATOM 219 CD GLU A 347 3.281 12.201 3.253 1.00 0.00 C ATOM 220 OE1 GLU A 347 2.858 11.816 2.138 1.00 0.00 O ATOM 221 OE2 GLU A 347 2.573 12.349 4.273 1.00 0.00 O ATOM 0 H GLU A 347 7.365 9.731 2.604 1.00 0.00 H new ATOM 0 HA GLU A 347 5.801 10.482 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 347 6.693 11.765 2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 347 5.352 11.061 1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 347 4.993 12.732 4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 347 4.998 13.414 2.819 1.00 0.00 H new ATOM 228 N VAL A 348 4.341 8.426 2.757 1.00 0.00 N ATOM 229 CA VAL A 348 3.246 7.494 2.552 1.00 0.00 C ATOM 230 C VAL A 348 3.280 6.328 3.539 1.00 0.00 C ATOM 231 O VAL A 348 2.203 5.864 3.892 1.00 0.00 O ATOM 232 CB VAL A 348 3.280 7.037 1.087 1.00 0.00 C ATOM 233 CG1 VAL A 348 2.497 5.764 0.764 1.00 0.00 C ATOM 234 CG2 VAL A 348 2.754 8.158 0.181 1.00 0.00 C ATOM 0 H VAL A 348 5.040 8.377 2.015 1.00 0.00 H new ATOM 0 HA VAL A 348 2.297 7.992 2.751 1.00 0.00 H new ATOM 0 HB VAL A 348 4.329 6.803 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 348 2.592 5.538 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 348 2.894 4.934 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 348 1.445 5.911 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 348 2.780 7.829 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 348 1.728 8.400 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 348 3.379 9.043 0.297 1.00 0.00 H new ATOM 244 N GLU A 349 4.425 5.865 4.037 1.00 0.00 N ATOM 245 CA GLU A 349 4.475 4.889 5.124 1.00 0.00 C ATOM 246 C GLU A 349 3.788 5.450 6.367 1.00 0.00 C ATOM 247 O GLU A 349 3.041 4.752 7.052 1.00 0.00 O ATOM 248 CB GLU A 349 5.926 4.469 5.399 1.00 0.00 C ATOM 249 CG GLU A 349 6.457 3.647 4.220 1.00 0.00 C ATOM 250 CD GLU A 349 7.932 3.293 4.345 1.00 0.00 C ATOM 251 OE1 GLU A 349 8.301 2.564 5.296 1.00 0.00 O ATOM 252 OE2 GLU A 349 8.711 3.721 3.468 1.00 0.00 O ATOM 0 H GLU A 349 5.343 6.155 3.699 1.00 0.00 H new ATOM 0 HA GLU A 349 3.932 3.991 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 349 6.548 5.351 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 349 5.978 3.883 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 349 5.876 2.728 4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 349 6.302 4.207 3.298 1.00 0.00 H new ATOM 259 N LYS A 350 3.959 6.749 6.615 1.00 0.00 N ATOM 260 CA LYS A 350 3.208 7.448 7.646 1.00 0.00 C ATOM 261 C LYS A 350 1.727 7.630 7.260 1.00 0.00 C ATOM 262 O LYS A 350 0.924 7.876 8.157 1.00 0.00 O ATOM 263 CB LYS A 350 3.984 8.743 7.965 1.00 0.00 C ATOM 264 CG LYS A 350 3.415 9.625 9.086 1.00 0.00 C ATOM 265 CD LYS A 350 2.932 11.013 8.629 1.00 0.00 C ATOM 266 CE LYS A 350 1.673 10.982 7.751 1.00 0.00 C ATOM 267 NZ LYS A 350 1.962 10.833 6.309 1.00 0.00 N ATOM 0 H LYS A 350 4.619 7.339 6.108 1.00 0.00 H new ATOM 0 HA LYS A 350 3.137 6.866 8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 350 5.006 8.472 8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 350 4.039 9.341 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 350 2.582 9.101 9.554 1.00 0.00 H new ATOM 0 HG3 LYS A 350 4.180 9.755 9.851 1.00 0.00 H new ATOM 0 HD2 LYS A 350 2.733 11.624 9.509 1.00 0.00 H new ATOM 0 HD3 LYS A 350 3.735 11.501 8.077 1.00 0.00 H new ATOM 0 HE2 LYS A 350 1.036 10.158 8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 350 1.108 11.901 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 350 1.676 11.698 5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 350 2.981 10.675 6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 350 1.432 10.022 5.931 1.00 0.00 H new ATOM 281 N LEU A 351 1.336 7.598 5.974 1.00 0.00 N ATOM 282 CA LEU A 351 -0.079 7.653 5.576 1.00 0.00 C ATOM 283 C LEU A 351 -0.770 6.292 5.672 1.00 0.00 C ATOM 284 O LEU A 351 -1.721 6.154 6.435 1.00 0.00 O ATOM 285 CB LEU A 351 -0.298 8.168 4.144 1.00 0.00 C ATOM 286 CG LEU A 351 0.078 9.619 3.850 1.00 0.00 C ATOM 287 CD1 LEU A 351 -0.065 9.917 2.355 1.00 0.00 C ATOM 288 CD2 LEU A 351 -0.799 10.590 4.644 1.00 0.00 C ATOM 0 H LEU A 351 1.985 7.534 5.190 1.00 0.00 H new ATOM 0 HA LEU A 351 -0.515 8.356 6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 351 0.270 7.530 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 351 -1.352 8.037 3.897 1.00 0.00 H new ATOM 0 HG LEU A 351 1.116 9.757 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 351 0.207 10.955 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 351 0.594 9.259 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 351 -1.097 9.750 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 351 -0.508 11.615 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 351 -1.844 10.440 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 351 -0.670 10.407 5.711 1.00 0.00 H new ATOM 300 N LEU A 352 -0.303 5.296 4.903 1.00 0.00 N ATOM 301 CA LEU A 352 -0.720 3.891 4.903 1.00 0.00 C ATOM 302 C LEU A 352 -0.141 3.269 6.168 1.00 0.00 C ATOM 303 O LEU A 352 0.693 2.378 6.106 1.00 0.00 O ATOM 304 CB LEU A 352 -0.280 3.152 3.609 1.00 0.00 C ATOM 305 CG LEU A 352 -1.010 3.531 2.297 1.00 0.00 C ATOM 306 CD1 LEU A 352 -0.467 2.735 1.104 1.00 0.00 C ATOM 307 CD2 LEU A 352 -2.516 3.244 2.324 1.00 0.00 C ATOM 0 H LEU A 352 0.430 5.468 4.215 1.00 0.00 H new ATOM 0 HA LEU A 352 -1.807 3.805 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 352 0.786 3.327 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -0.408 2.082 3.770 1.00 0.00 H new ATOM 0 HG LEU A 352 -0.834 4.602 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -1.001 3.025 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 352 0.596 2.944 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -0.609 1.669 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -2.959 3.535 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -2.681 2.179 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -2.980 3.813 3.129 1.00 0.00 H new ATOM 319 N ASN A 353 -0.552 3.800 7.316 1.00 0.00 N ATOM 320 CA ASN A 353 0.015 3.541 8.624 1.00 0.00 C ATOM 321 C ASN A 353 -0.183 2.083 9.040 1.00 0.00 C ATOM 322 O ASN A 353 -0.957 1.344 8.423 1.00 0.00 O ATOM 323 CB ASN A 353 -0.625 4.493 9.654 1.00 0.00 C ATOM 324 CG ASN A 353 -1.960 3.965 10.183 1.00 0.00 C ATOM 325 OD1 ASN A 353 -2.885 3.675 9.429 1.00 0.00 O ATOM 326 ND2 ASN A 353 -2.082 3.798 11.490 1.00 0.00 N ATOM 0 H ASN A 353 -1.331 4.457 7.354 1.00 0.00 H new ATOM 0 HA ASN A 353 1.089 3.721 8.581 1.00 0.00 H new ATOM 0 HB2 ASN A 353 0.062 4.637 10.488 1.00 0.00 H new ATOM 0 HB3 ASN A 353 -0.779 5.470 9.196 1.00 0.00 H new ATOM 0 HD21 ASN A 353 -2.949 3.426 11.878 1.00 0.00 H new ATOM 0 HD22 ASN A 353 -1.309 4.041 12.110 1.00 0.00 H new ATOM 333 N GLY A 354 0.468 1.703 10.147 1.00 0.00 N ATOM 334 CA GLY A 354 0.323 0.427 10.842 1.00 0.00 C ATOM 335 C GLY A 354 -1.073 0.260 11.446 1.00 0.00 C ATOM 336 O GLY A 354 -1.227 0.269 12.660 1.00 0.00 O ATOM 0 H GLY A 354 1.146 2.314 10.603 1.00 0.00 H new ATOM 0 HA2 GLY A 354 0.517 -0.389 10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 354 1.071 0.357 11.632 1.00 0.00 H new ATOM 340 N ASP A 355 -2.061 0.109 10.571 1.00 0.00 N ATOM 341 CA ASP A 355 -3.487 -0.122 10.754 1.00 0.00 C ATOM 342 C ASP A 355 -4.134 -0.173 9.382 1.00 0.00 C ATOM 343 O ASP A 355 -4.550 -1.236 8.917 1.00 0.00 O ATOM 344 CB ASP A 355 -4.174 0.985 11.581 1.00 0.00 C ATOM 345 CG ASP A 355 -5.702 0.871 11.505 1.00 0.00 C ATOM 346 OD1 ASP A 355 -6.219 -0.208 11.851 1.00 0.00 O ATOM 347 OD2 ASP A 355 -6.320 1.853 11.018 1.00 0.00 O ATOM 0 H ASP A 355 -1.846 0.153 9.575 1.00 0.00 H new ATOM 0 HA ASP A 355 -3.607 -1.057 11.302 1.00 0.00 H new ATOM 0 HB2 ASP A 355 -3.853 0.917 12.621 1.00 0.00 H new ATOM 0 HB3 ASP A 355 -3.861 1.963 11.214 1.00 0.00 H new ATOM 352 N THR A 356 -4.167 0.973 8.702 1.00 0.00 N ATOM 353 CA THR A 356 -4.920 1.099 7.473 1.00 0.00 C ATOM 354 C THR A 356 -4.382 0.150 6.418 1.00 0.00 C ATOM 355 O THR A 356 -5.163 -0.456 5.682 1.00 0.00 O ATOM 356 CB THR A 356 -4.829 2.532 6.945 1.00 0.00 C ATOM 357 OG1 THR A 356 -5.185 3.455 7.947 1.00 0.00 O ATOM 358 CG2 THR A 356 -5.760 2.660 5.739 1.00 0.00 C ATOM 0 H THR A 356 -3.679 1.822 8.988 1.00 0.00 H new ATOM 0 HA THR A 356 -5.960 0.850 7.685 1.00 0.00 H new ATOM 0 HB THR A 356 -3.804 2.752 6.647 1.00 0.00 H new ATOM 0 HG1 THR A 356 -4.406 3.641 8.512 1.00 0.00 H new ATOM 0 HG21 THR A 356 -5.710 3.676 5.347 1.00 0.00 H new ATOM 0 HG22 THR A 356 -5.452 1.957 4.965 1.00 0.00 H new ATOM 0 HG23 THR A 356 -6.783 2.439 6.044 1.00 0.00 H new ATOM 366 N TRP A 357 -3.051 0.043 6.340 1.00 0.00 N ATOM 367 CA TRP A 357 -2.403 -0.768 5.339 1.00 0.00 C ATOM 368 C TRP A 357 -3.010 -2.185 5.356 1.00 0.00 C ATOM 369 O TRP A 357 -3.410 -2.657 4.306 1.00 0.00 O ATOM 370 CB TRP A 357 -0.879 -0.733 5.518 1.00 0.00 C ATOM 371 CG TRP A 357 -0.360 -1.829 6.392 1.00 0.00 C ATOM 372 CD1 TRP A 357 -0.273 -1.822 7.737 1.00 0.00 C ATOM 373 CD2 TRP A 357 -0.110 -3.202 5.987 1.00 0.00 C ATOM 374 NE1 TRP A 357 -0.049 -3.103 8.201 1.00 0.00 N ATOM 375 CE2 TRP A 357 0.102 -3.994 7.148 1.00 0.00 C ATOM 376 CE3 TRP A 357 -0.179 -3.869 4.749 1.00 0.00 C ATOM 377 CZ2 TRP A 357 0.325 -5.374 7.028 1.00 0.00 C ATOM 378 CZ3 TRP A 357 0.117 -5.235 4.625 1.00 0.00 C ATOM 379 CH2 TRP A 357 0.387 -5.978 5.777 1.00 0.00 C ATOM 0 H TRP A 357 -2.407 0.519 6.972 1.00 0.00 H new ATOM 0 HA TRP A 357 -2.585 -0.363 4.343 1.00 0.00 H new ATOM 0 HB2 TRP A 357 -0.404 -0.802 4.540 1.00 0.00 H new ATOM 0 HB3 TRP A 357 -0.592 0.228 5.944 1.00 0.00 H new ATOM 0 HD1 TRP A 357 -0.365 -0.944 8.360 1.00 0.00 H new ATOM 0 HE1 TRP A 357 -0.001 -3.360 9.187 1.00 0.00 H new ATOM 0 HE3 TRP A 357 -0.468 -3.313 3.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 357 0.450 -5.974 7.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 357 0.136 -5.705 3.653 1.00 0.00 H new ATOM 0 HH2 TRP A 357 0.644 -7.024 5.696 1.00 0.00 H new ATOM 390 N ARG A 358 -3.067 -2.859 6.522 1.00 0.00 N ATOM 391 CA ARG A 358 -3.674 -4.178 6.744 1.00 0.00 C ATOM 392 C ARG A 358 -5.001 -4.325 6.017 1.00 0.00 C ATOM 393 O ARG A 358 -5.202 -5.281 5.276 1.00 0.00 O ATOM 394 CB ARG A 358 -3.814 -4.525 8.246 1.00 0.00 C ATOM 395 CG ARG A 358 -2.882 -5.660 8.705 1.00 0.00 C ATOM 396 CD ARG A 358 -3.380 -6.276 10.021 1.00 0.00 C ATOM 397 NE ARG A 358 -2.477 -7.317 10.554 1.00 0.00 N ATOM 398 CZ ARG A 358 -2.530 -8.641 10.325 1.00 0.00 C ATOM 399 NH1 ARG A 358 -3.325 -9.154 9.395 1.00 0.00 N ATOM 400 NH2 ARG A 358 -1.776 -9.456 11.052 1.00 0.00 N ATOM 0 H ARG A 358 -2.668 -2.473 7.378 1.00 0.00 H new ATOM 0 HA ARG A 358 -2.983 -4.903 6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 358 -3.606 -3.633 8.837 1.00 0.00 H new ATOM 0 HB3 ARG A 358 -4.846 -4.809 8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 358 -2.831 -6.429 7.934 1.00 0.00 H new ATOM 0 HG3 ARG A 358 -1.871 -5.275 8.838 1.00 0.00 H new ATOM 0 HD2 ARG A 358 -3.493 -5.487 10.764 1.00 0.00 H new ATOM 0 HD3 ARG A 358 -4.368 -6.708 9.862 1.00 0.00 H new ATOM 0 HE ARG A 358 -1.727 -6.994 11.166 1.00 0.00 H new ATOM 0 HH11 ARG A 358 -3.915 -8.540 8.833 1.00 0.00 H new ATOM 0 HH12 ARG A 358 -3.346 -10.162 9.242 1.00 0.00 H new ATOM 0 HH21 ARG A 358 -1.165 -9.076 11.775 1.00 0.00 H new ATOM 0 HH22 ARG A 358 -1.808 -10.462 10.888 1.00 0.00 H new ATOM 414 N HIS A 359 -5.920 -3.406 6.307 1.00 0.00 N ATOM 415 CA HIS A 359 -7.273 -3.427 5.782 1.00 0.00 C ATOM 416 C HIS A 359 -7.242 -3.343 4.256 1.00 0.00 C ATOM 417 O HIS A 359 -7.923 -4.103 3.573 1.00 0.00 O ATOM 418 CB HIS A 359 -8.070 -2.273 6.406 1.00 0.00 C ATOM 419 CG HIS A 359 -8.256 -2.412 7.899 1.00 0.00 C ATOM 420 ND1 HIS A 359 -7.419 -1.951 8.899 1.00 0.00 N ATOM 421 CD2 HIS A 359 -9.318 -3.031 8.504 1.00 0.00 C ATOM 422 CE1 HIS A 359 -7.986 -2.270 10.077 1.00 0.00 C ATOM 423 NE2 HIS A 359 -9.135 -2.942 9.884 1.00 0.00 N ATOM 0 H HIS A 359 -5.737 -2.615 6.924 1.00 0.00 H new ATOM 0 HA HIS A 359 -7.767 -4.363 6.044 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -7.559 -1.333 6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -9.048 -2.217 5.929 1.00 0.00 H new ATOM 0 HD1 HIS A 359 -6.535 -1.460 8.768 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -10.149 -3.504 8.002 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -7.575 -2.021 11.044 1.00 0.00 H new ATOM 431 N LEU A 360 -6.442 -2.423 3.719 1.00 0.00 N ATOM 432 CA LEU A 360 -6.238 -2.229 2.298 1.00 0.00 C ATOM 433 C LEU A 360 -5.550 -3.414 1.625 1.00 0.00 C ATOM 434 O LEU A 360 -5.879 -3.707 0.483 1.00 0.00 O ATOM 435 CB LEU A 360 -5.483 -0.906 2.187 1.00 0.00 C ATOM 436 CG LEU A 360 -4.647 -0.739 0.912 1.00 0.00 C ATOM 437 CD1 LEU A 360 -5.550 -0.416 -0.270 1.00 0.00 C ATOM 438 CD2 LEU A 360 -3.647 0.386 1.119 1.00 0.00 C ATOM 0 H LEU A 360 -5.902 -1.772 4.289 1.00 0.00 H new ATOM 0 HA LEU A 360 -7.179 -2.178 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 360 -6.203 -0.089 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 360 -4.825 -0.808 3.050 1.00 0.00 H new ATOM 0 HG LEU A 360 -4.118 -1.669 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 360 -4.945 -0.300 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 360 -6.263 -1.227 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 360 -6.089 0.511 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 360 -3.048 0.511 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 360 -4.180 1.312 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 360 -2.994 0.143 1.957 1.00 0.00 H new ATOM 450 N ALA A 361 -4.577 -4.045 2.278 1.00 0.00 N ATOM 451 CA ALA A 361 -3.786 -5.163 1.785 1.00 0.00 C ATOM 452 C ALA A 361 -4.689 -6.208 1.115 1.00 0.00 C ATOM 453 O ALA A 361 -4.397 -6.635 0.002 1.00 0.00 O ATOM 454 CB ALA A 361 -2.865 -5.692 2.899 1.00 0.00 C ATOM 0 H ALA A 361 -4.306 -3.771 3.222 1.00 0.00 H new ATOM 0 HA ALA A 361 -3.111 -4.839 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -2.278 -6.528 2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -2.195 -4.897 3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -3.469 -6.026 3.742 1.00 0.00 H new ATOM 460 N GLY A 362 -5.785 -6.597 1.774 1.00 0.00 N ATOM 461 CA GLY A 362 -6.776 -7.501 1.200 1.00 0.00 C ATOM 462 C GLY A 362 -7.357 -7.001 -0.122 1.00 0.00 C ATOM 463 O GLY A 362 -7.493 -7.785 -1.061 1.00 0.00 O ATOM 0 H GLY A 362 -6.007 -6.291 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 362 -6.318 -8.477 1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 362 -7.587 -7.641 1.915 1.00 0.00 H new ATOM 467 N GLU A 363 -7.701 -5.712 -0.224 1.00 0.00 N ATOM 468 CA GLU A 363 -8.252 -5.165 -1.463 1.00 0.00 C ATOM 469 C GLU A 363 -7.185 -5.037 -2.559 1.00 0.00 C ATOM 470 O GLU A 363 -7.525 -4.951 -3.738 1.00 0.00 O ATOM 471 CB GLU A 363 -8.921 -3.808 -1.199 1.00 0.00 C ATOM 472 CG GLU A 363 -9.977 -3.839 -0.083 1.00 0.00 C ATOM 473 CD GLU A 363 -11.039 -4.932 -0.221 1.00 0.00 C ATOM 474 OE1 GLU A 363 -11.461 -5.242 -1.361 1.00 0.00 O ATOM 475 OE2 GLU A 363 -11.588 -5.353 0.826 1.00 0.00 O ATOM 0 H GLU A 363 -7.607 -5.034 0.533 1.00 0.00 H new ATOM 0 HA GLU A 363 -9.005 -5.866 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 363 -8.153 -3.080 -0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 363 -9.390 -3.460 -2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 363 -9.469 -3.967 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 363 -10.477 -2.871 -0.051 1.00 0.00 H new ATOM 482 N LEU A 364 -5.895 -5.065 -2.206 1.00 0.00 N ATOM 483 CA LEU A 364 -4.771 -5.039 -3.150 1.00 0.00 C ATOM 484 C LEU A 364 -4.496 -6.408 -3.792 1.00 0.00 C ATOM 485 O LEU A 364 -3.377 -6.671 -4.233 1.00 0.00 O ATOM 486 CB LEU A 364 -3.512 -4.478 -2.459 1.00 0.00 C ATOM 487 CG LEU A 364 -3.625 -2.993 -2.100 1.00 0.00 C ATOM 488 CD1 LEU A 364 -2.418 -2.563 -1.266 1.00 0.00 C ATOM 489 CD2 LEU A 364 -3.668 -2.087 -3.329 1.00 0.00 C ATOM 0 H LEU A 364 -5.596 -5.107 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 364 -5.051 -4.377 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 364 -3.320 -5.050 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 364 -2.653 -4.621 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 364 -4.559 -2.887 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 364 -2.507 -1.506 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 364 -2.381 -3.151 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 364 -1.504 -2.725 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 364 -3.748 -1.047 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 364 -2.756 -2.220 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 364 -4.531 -2.347 -3.943 1.00 0.00 H new ATOM 501 N GLY A 365 -5.522 -7.249 -3.938 1.00 0.00 N ATOM 502 CA GLY A 365 -5.419 -8.611 -4.451 1.00 0.00 C ATOM 503 C GLY A 365 -4.371 -9.481 -3.763 1.00 0.00 C ATOM 504 O GLY A 365 -3.866 -10.418 -4.381 1.00 0.00 O ATOM 0 H GLY A 365 -6.478 -6.989 -3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 365 -6.391 -9.094 -4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 365 -5.190 -8.566 -5.516 1.00 0.00 H new ATOM 508 N TYR A 366 -4.088 -9.231 -2.486 1.00 0.00 N ATOM 509 CA TYR A 366 -3.186 -10.039 -1.689 1.00 0.00 C ATOM 510 C TYR A 366 -4.008 -10.722 -0.598 1.00 0.00 C ATOM 511 O TYR A 366 -4.521 -10.075 0.313 1.00 0.00 O ATOM 512 CB TYR A 366 -2.047 -9.156 -1.158 1.00 0.00 C ATOM 513 CG TYR A 366 -0.885 -8.834 -2.100 1.00 0.00 C ATOM 514 CD1 TYR A 366 -0.503 -9.680 -3.167 1.00 0.00 C ATOM 515 CD2 TYR A 366 -0.077 -7.726 -1.785 1.00 0.00 C ATOM 516 CE1 TYR A 366 0.697 -9.456 -3.868 1.00 0.00 C ATOM 517 CE2 TYR A 366 1.138 -7.516 -2.456 1.00 0.00 C ATOM 518 CZ TYR A 366 1.540 -8.390 -3.486 1.00 0.00 C ATOM 519 OH TYR A 366 2.773 -8.231 -4.040 1.00 0.00 O ATOM 0 H TYR A 366 -4.490 -8.446 -1.973 1.00 0.00 H new ATOM 0 HA TYR A 366 -2.706 -10.824 -2.274 1.00 0.00 H new ATOM 0 HB2 TYR A 366 -2.482 -8.212 -0.831 1.00 0.00 H new ATOM 0 HB3 TYR A 366 -1.634 -9.641 -0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 366 -1.139 -10.507 -3.447 1.00 0.00 H new ATOM 0 HD2 TYR A 366 -0.394 -7.032 -1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 366 0.971 -10.096 -4.693 1.00 0.00 H new ATOM 0 HE2 TYR A 366 1.767 -6.682 -2.182 1.00 0.00 H new ATOM 0 HH TYR A 366 3.141 -9.108 -4.277 1.00 0.00 H new ATOM 529 N GLN A 367 -4.176 -12.042 -0.741 1.00 0.00 N ATOM 530 CA GLN A 367 -4.859 -12.920 0.209 1.00 0.00 C ATOM 531 C GLN A 367 -4.317 -12.737 1.643 1.00 0.00 C ATOM 532 O GLN A 367 -3.170 -12.314 1.801 1.00 0.00 O ATOM 533 CB GLN A 367 -4.706 -14.376 -0.279 1.00 0.00 C ATOM 534 CG GLN A 367 -6.025 -14.973 -0.792 1.00 0.00 C ATOM 535 CD GLN A 367 -5.957 -16.487 -1.010 1.00 0.00 C ATOM 536 OE1 GLN A 367 -6.310 -16.982 -2.074 1.00 0.00 O ATOM 537 NE2 GLN A 367 -5.550 -17.263 -0.018 1.00 0.00 N ATOM 0 H GLN A 367 -3.825 -12.545 -1.556 1.00 0.00 H new ATOM 0 HA GLN A 367 -5.917 -12.661 0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 367 -3.962 -14.411 -1.075 1.00 0.00 H new ATOM 0 HB3 GLN A 367 -4.328 -14.990 0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 367 -6.819 -14.750 -0.079 1.00 0.00 H new ATOM 0 HG3 GLN A 367 -6.295 -14.489 -1.731 1.00 0.00 H new ATOM 0 HE21 GLN A 367 -5.257 -16.848 0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 367 -5.530 -18.276 -0.138 1.00 0.00 H new ATOM 546 N PRO A 368 -5.062 -13.113 2.701 1.00 0.00 N ATOM 547 CA PRO A 368 -4.673 -12.813 4.077 1.00 0.00 C ATOM 548 C PRO A 368 -3.350 -13.466 4.483 1.00 0.00 C ATOM 549 O PRO A 368 -2.634 -12.906 5.309 1.00 0.00 O ATOM 550 CB PRO A 368 -5.845 -13.254 4.959 1.00 0.00 C ATOM 551 CG PRO A 368 -6.564 -14.300 4.113 1.00 0.00 C ATOM 552 CD PRO A 368 -6.329 -13.826 2.680 1.00 0.00 C ATOM 0 HA PRO A 368 -4.480 -11.747 4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 368 -5.499 -13.673 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 368 -6.500 -12.417 5.202 1.00 0.00 H new ATOM 0 HG2 PRO A 368 -6.157 -15.298 4.277 1.00 0.00 H new ATOM 0 HG3 PRO A 368 -7.627 -14.347 4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 368 -6.292 -14.669 1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 368 -7.138 -13.176 2.345 1.00 0.00 H new ATOM 560 N GLU A 369 -2.977 -14.586 3.864 1.00 0.00 N ATOM 561 CA GLU A 369 -1.702 -15.256 4.076 1.00 0.00 C ATOM 562 C GLU A 369 -0.529 -14.336 3.703 1.00 0.00 C ATOM 563 O GLU A 369 0.515 -14.378 4.357 1.00 0.00 O ATOM 564 CB GLU A 369 -1.653 -16.555 3.249 1.00 0.00 C ATOM 565 CG GLU A 369 -2.677 -17.632 3.667 1.00 0.00 C ATOM 566 CD GLU A 369 -4.147 -17.313 3.339 1.00 0.00 C ATOM 567 OE1 GLU A 369 -4.402 -16.508 2.411 1.00 0.00 O ATOM 568 OE2 GLU A 369 -5.032 -17.870 4.018 1.00 0.00 O ATOM 0 H GLU A 369 -3.571 -15.061 3.185 1.00 0.00 H new ATOM 0 HA GLU A 369 -1.610 -15.503 5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 369 -1.816 -16.307 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 369 -0.651 -16.978 3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 369 -2.410 -18.570 3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 369 -2.590 -17.794 4.741 1.00 0.00 H new ATOM 575 N HIS A 370 -0.704 -13.481 2.686 1.00 0.00 N ATOM 576 CA HIS A 370 0.246 -12.435 2.323 1.00 0.00 C ATOM 577 C HIS A 370 0.241 -11.358 3.402 1.00 0.00 C ATOM 578 O HIS A 370 1.303 -10.942 3.848 1.00 0.00 O ATOM 579 CB HIS A 370 -0.113 -11.757 0.994 1.00 0.00 C ATOM 580 CG HIS A 370 -0.164 -12.640 -0.223 1.00 0.00 C ATOM 581 ND1 HIS A 370 0.657 -12.525 -1.320 1.00 0.00 N ATOM 582 CD2 HIS A 370 -1.104 -13.594 -0.503 1.00 0.00 C ATOM 583 CE1 HIS A 370 0.215 -13.391 -2.248 1.00 0.00 C ATOM 584 NE2 HIS A 370 -0.859 -14.060 -1.797 1.00 0.00 N ATOM 0 H HIS A 370 -1.528 -13.502 2.085 1.00 0.00 H new ATOM 0 HA HIS A 370 1.222 -12.909 2.224 1.00 0.00 H new ATOM 0 HB2 HIS A 370 -1.086 -11.278 1.108 1.00 0.00 H new ATOM 0 HB3 HIS A 370 0.612 -10.965 0.809 1.00 0.00 H new ATOM 0 HD2 HIS A 370 -1.892 -13.926 0.156 1.00 0.00 H new ATOM 0 HE1 HIS A 370 0.662 -13.530 -3.222 1.00 0.00 H new ATOM 0 HE2 HIS A 370 -1.391 -14.769 -2.301 1.00 0.00 H new ATOM 592 N ILE A 371 -0.942 -10.876 3.798 1.00 0.00 N ATOM 593 CA ILE A 371 -1.098 -9.756 4.725 1.00 0.00 C ATOM 594 C ILE A 371 -0.374 -10.085 6.032 1.00 0.00 C ATOM 595 O ILE A 371 0.397 -9.272 6.546 1.00 0.00 O ATOM 596 CB ILE A 371 -2.593 -9.423 4.965 1.00 0.00 C ATOM 597 CG1 ILE A 371 -3.374 -9.257 3.642 1.00 0.00 C ATOM 598 CG2 ILE A 371 -2.701 -8.151 5.826 1.00 0.00 C ATOM 599 CD1 ILE A 371 -4.869 -8.965 3.825 1.00 0.00 C ATOM 0 H ILE A 371 -1.830 -11.261 3.477 1.00 0.00 H new ATOM 0 HA ILE A 371 -0.650 -8.863 4.288 1.00 0.00 H new ATOM 0 HB ILE A 371 -3.047 -10.262 5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 371 -2.925 -8.447 3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 371 -3.263 -10.166 3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 371 -3.751 -7.915 5.996 1.00 0.00 H new ATOM 0 HG22 ILE A 371 -2.207 -8.317 6.783 1.00 0.00 H new ATOM 0 HG23 ILE A 371 -2.221 -7.320 5.309 1.00 0.00 H new ATOM 0 HD11 ILE A 371 -5.342 -8.863 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 371 -5.336 -9.785 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 371 -4.993 -8.039 4.387 1.00 0.00 H new ATOM 611 N ASP A 372 -0.604 -11.277 6.577 1.00 0.00 N ATOM 612 CA ASP A 372 0.037 -11.673 7.821 1.00 0.00 C ATOM 613 C ASP A 372 1.533 -11.910 7.597 1.00 0.00 C ATOM 614 O ASP A 372 2.330 -11.657 8.501 1.00 0.00 O ATOM 615 CB ASP A 372 -0.698 -12.849 8.480 1.00 0.00 C ATOM 616 CG ASP A 372 -1.609 -12.280 9.570 1.00 0.00 C ATOM 617 OD1 ASP A 372 -2.713 -11.793 9.237 1.00 0.00 O ATOM 618 OD2 ASP A 372 -1.161 -12.111 10.724 1.00 0.00 O ATOM 0 H ASP A 372 -1.226 -11.979 6.177 1.00 0.00 H new ATOM 0 HA ASP A 372 -0.035 -10.858 8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -1.283 -13.396 7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 372 0.015 -13.554 8.908 1.00 0.00 H new ATOM 623 N SER A 373 1.948 -12.314 6.388 1.00 0.00 N ATOM 624 CA SER A 373 3.363 -12.541 6.106 1.00 0.00 C ATOM 625 C SER A 373 4.101 -11.218 5.831 1.00 0.00 C ATOM 626 O SER A 373 5.321 -11.155 5.952 1.00 0.00 O ATOM 627 CB SER A 373 3.447 -13.386 4.830 1.00 0.00 C ATOM 628 OG SER A 373 3.390 -14.762 5.141 1.00 0.00 O ATOM 0 H SER A 373 1.326 -12.488 5.599 1.00 0.00 H new ATOM 0 HA SER A 373 3.820 -13.029 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 373 2.628 -13.125 4.160 1.00 0.00 H new ATOM 0 HB3 SER A 373 4.374 -13.165 4.301 1.00 0.00 H new ATOM 0 HG SER A 373 2.474 -15.088 5.016 1.00 0.00 H new ATOM 634 N PHE A 374 3.369 -10.123 5.639 1.00 0.00 N ATOM 635 CA PHE A 374 3.908 -8.794 5.351 1.00 0.00 C ATOM 636 C PHE A 374 4.172 -8.071 6.660 1.00 0.00 C ATOM 637 O PHE A 374 5.148 -7.336 6.776 1.00 0.00 O ATOM 638 CB PHE A 374 2.911 -7.960 4.527 1.00 0.00 C ATOM 639 CG PHE A 374 3.098 -7.938 3.028 1.00 0.00 C ATOM 640 CD1 PHE A 374 4.322 -7.528 2.460 1.00 0.00 C ATOM 641 CD2 PHE A 374 2.041 -8.307 2.174 1.00 0.00 C ATOM 642 CE1 PHE A 374 4.479 -7.479 1.061 1.00 0.00 C ATOM 643 CE2 PHE A 374 2.204 -8.267 0.778 1.00 0.00 C ATOM 644 CZ PHE A 374 3.414 -7.831 0.210 1.00 0.00 C ATOM 0 H PHE A 374 2.350 -10.136 5.681 1.00 0.00 H new ATOM 0 HA PHE A 374 4.828 -8.914 4.779 1.00 0.00 H new ATOM 0 HB2 PHE A 374 1.908 -8.331 4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 374 2.953 -6.932 4.887 1.00 0.00 H new ATOM 0 HD1 PHE A 374 5.145 -7.250 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 374 1.098 -8.623 2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 374 5.423 -7.169 0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 374 1.392 -8.574 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 374 3.525 -7.767 -0.862 1.00 0.00 H new ATOM 654 N THR A 375 3.331 -8.287 7.675 1.00 0.00 N ATOM 655 CA THR A 375 3.605 -7.734 8.995 1.00 0.00 C ATOM 656 C THR A 375 4.660 -8.580 9.735 1.00 0.00 C ATOM 657 O THR A 375 5.011 -8.240 10.864 1.00 0.00 O ATOM 658 CB THR A 375 2.305 -7.552 9.793 1.00 0.00 C ATOM 659 OG1 THR A 375 2.529 -6.851 10.997 1.00 0.00 O ATOM 660 CG2 THR A 375 1.568 -8.851 10.098 1.00 0.00 C ATOM 0 H THR A 375 2.471 -8.831 7.607 1.00 0.00 H new ATOM 0 HA THR A 375 4.035 -6.739 8.880 1.00 0.00 H new ATOM 0 HB THR A 375 1.662 -6.968 9.135 1.00 0.00 H new ATOM 0 HG1 THR A 375 3.409 -7.090 11.356 1.00 0.00 H new ATOM 0 HG21 THR A 375 0.662 -8.631 10.664 1.00 0.00 H new ATOM 0 HG22 THR A 375 1.301 -9.346 9.164 1.00 0.00 H new ATOM 0 HG23 THR A 375 2.212 -9.506 10.685 1.00 0.00 H new ATOM 668 N HIS A 376 5.124 -9.677 9.128 1.00 0.00 N ATOM 669 CA HIS A 376 6.240 -10.495 9.572 1.00 0.00 C ATOM 670 C HIS A 376 7.567 -9.838 9.184 1.00 0.00 C ATOM 671 O HIS A 376 8.553 -9.980 9.908 1.00 0.00 O ATOM 672 CB HIS A 376 6.121 -11.909 8.980 1.00 0.00 C ATOM 673 CG HIS A 376 6.260 -12.995 10.012 1.00 0.00 C ATOM 674 ND1 HIS A 376 5.238 -13.801 10.458 1.00 0.00 N ATOM 675 CD2 HIS A 376 7.401 -13.348 10.681 1.00 0.00 C ATOM 676 CE1 HIS A 376 5.757 -14.634 11.374 1.00 0.00 C ATOM 677 NE2 HIS A 376 7.069 -14.398 11.547 1.00 0.00 N ATOM 0 H HIS A 376 4.704 -10.031 8.269 1.00 0.00 H new ATOM 0 HA HIS A 376 6.215 -10.578 10.659 1.00 0.00 H new ATOM 0 HB2 HIS A 376 5.155 -12.009 8.484 1.00 0.00 H new ATOM 0 HB3 HIS A 376 6.887 -12.042 8.216 1.00 0.00 H new ATOM 0 HD2 HIS A 376 8.377 -12.900 10.563 1.00 0.00 H new ATOM 0 HE1 HIS A 376 5.196 -15.392 11.901 1.00 0.00 H new ATOM 0 HE2 HIS A 376 7.699 -14.887 12.183 1.00 0.00 H new ATOM 685 N GLU A 377 7.629 -9.225 7.996 1.00 0.00 N ATOM 686 CA GLU A 377 8.814 -8.518 7.530 1.00 0.00 C ATOM 687 C GLU A 377 9.143 -7.328 8.442 1.00 0.00 C ATOM 688 O GLU A 377 8.326 -6.891 9.252 1.00 0.00 O ATOM 689 CB GLU A 377 8.613 -8.029 6.086 1.00 0.00 C ATOM 690 CG GLU A 377 8.485 -9.173 5.075 1.00 0.00 C ATOM 691 CD GLU A 377 8.628 -8.632 3.651 1.00 0.00 C ATOM 692 OE1 GLU A 377 9.794 -8.424 3.240 1.00 0.00 O ATOM 693 OE2 GLU A 377 7.582 -8.381 3.012 1.00 0.00 O ATOM 0 H GLU A 377 6.853 -9.209 7.334 1.00 0.00 H new ATOM 0 HA GLU A 377 9.651 -9.215 7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 377 7.717 -7.410 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 377 9.453 -7.395 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 377 9.251 -9.925 5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 377 7.519 -9.665 5.191 1.00 0.00 H new ATOM 700 N ALA A 378 10.338 -6.755 8.238 1.00 0.00 N ATOM 701 CA ALA A 378 10.903 -5.657 9.019 1.00 0.00 C ATOM 702 C ALA A 378 9.885 -4.537 9.248 1.00 0.00 C ATOM 703 O ALA A 378 9.757 -4.040 10.365 1.00 0.00 O ATOM 704 CB ALA A 378 12.176 -5.135 8.342 1.00 0.00 C ATOM 0 H ALA A 378 10.960 -7.061 7.490 1.00 0.00 H new ATOM 0 HA ALA A 378 11.167 -6.039 10.005 1.00 0.00 H new ATOM 0 HB1 ALA A 378 12.591 -4.317 8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 378 12.908 -5.940 8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 378 11.935 -4.777 7.341 1.00 0.00 H new ATOM 710 N CYS A 379 9.215 -4.105 8.180 1.00 0.00 N ATOM 711 CA CYS A 379 7.945 -3.402 8.230 1.00 0.00 C ATOM 712 C CYS A 379 7.154 -3.841 6.991 1.00 0.00 C ATOM 713 O CYS A 379 7.777 -3.936 5.931 1.00 0.00 O ATOM 714 CB CYS A 379 8.159 -1.879 8.187 1.00 0.00 C ATOM 715 SG CYS A 379 8.566 -1.227 9.830 1.00 0.00 S ATOM 0 H CYS A 379 9.557 -4.242 7.229 1.00 0.00 H new ATOM 0 HA CYS A 379 7.416 -3.635 9.154 1.00 0.00 H new ATOM 0 HB2 CYS A 379 8.962 -1.642 7.489 1.00 0.00 H new ATOM 0 HB3 CYS A 379 7.258 -1.393 7.813 1.00 0.00 H new ATOM 0 HG CYS A 379 9.157 -2.150 10.529 1.00 0.00 H new ATOM 721 N PRO A 380 5.814 -3.983 7.075 1.00 0.00 N ATOM 722 CA PRO A 380 4.940 -4.215 5.926 1.00 0.00 C ATOM 723 C PRO A 380 5.170 -3.131 4.890 1.00 0.00 C ATOM 724 O PRO A 380 5.794 -3.399 3.876 1.00 0.00 O ATOM 725 CB PRO A 380 3.509 -4.294 6.478 1.00 0.00 C ATOM 726 CG PRO A 380 3.581 -3.644 7.856 1.00 0.00 C ATOM 727 CD PRO A 380 5.026 -3.870 8.294 1.00 0.00 C ATOM 0 HA PRO A 380 5.147 -5.148 5.401 1.00 0.00 H new ATOM 0 HB2 PRO A 380 2.807 -3.769 5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 380 3.169 -5.327 6.546 1.00 0.00 H new ATOM 0 HG2 PRO A 380 3.339 -2.582 7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 380 2.877 -4.102 8.551 1.00 0.00 H new ATOM 0 HD2 PRO A 380 5.379 -3.042 8.909 1.00 0.00 H new ATOM 0 HD3 PRO A 380 5.112 -4.774 8.897 1.00 0.00 H new ATOM 735 N VAL A 381 4.618 -1.941 5.107 1.00 0.00 N ATOM 736 CA VAL A 381 4.465 -0.876 4.122 1.00 0.00 C ATOM 737 C VAL A 381 5.724 -0.701 3.232 1.00 0.00 C ATOM 738 O VAL A 381 5.607 -0.541 2.021 1.00 0.00 O ATOM 739 CB VAL A 381 3.976 0.415 4.795 1.00 0.00 C ATOM 740 CG1 VAL A 381 3.533 1.410 3.711 1.00 0.00 C ATOM 741 CG2 VAL A 381 2.858 0.191 5.823 1.00 0.00 C ATOM 0 H VAL A 381 4.247 -1.681 6.021 1.00 0.00 H new ATOM 0 HA VAL A 381 3.685 -1.167 3.418 1.00 0.00 H new ATOM 0 HB VAL A 381 4.813 0.821 5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 381 3.184 2.329 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 381 4.375 1.634 3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 381 2.724 0.973 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 381 2.565 1.147 6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 381 1.998 -0.264 5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 381 3.216 -0.470 6.612 1.00 0.00 H new ATOM 751 N ARG A 382 6.934 -0.787 3.799 1.00 0.00 N ATOM 752 CA ARG A 382 8.186 -0.756 3.040 1.00 0.00 C ATOM 753 C ARG A 382 8.285 -1.880 2.010 1.00 0.00 C ATOM 754 O ARG A 382 8.377 -1.585 0.816 1.00 0.00 O ATOM 755 CB ARG A 382 9.385 -0.755 4.014 1.00 0.00 C ATOM 756 CG ARG A 382 10.300 0.464 3.837 1.00 0.00 C ATOM 757 CD ARG A 382 11.086 0.741 5.125 1.00 0.00 C ATOM 758 NE ARG A 382 12.135 1.754 4.920 1.00 0.00 N ATOM 759 CZ ARG A 382 12.000 3.079 5.083 1.00 0.00 C ATOM 760 NH1 ARG A 382 10.864 3.623 5.476 1.00 0.00 N ATOM 761 NH2 ARG A 382 13.045 3.866 4.853 1.00 0.00 N ATOM 0 H ARG A 382 7.070 -0.881 4.805 1.00 0.00 H new ATOM 0 HA ARG A 382 8.203 0.167 2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 382 9.014 -0.778 5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 382 9.967 -1.664 3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 382 10.992 0.290 3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 382 9.704 1.338 3.573 1.00 0.00 H new ATOM 0 HD2 ARG A 382 10.401 1.079 5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 382 11.539 -0.185 5.480 1.00 0.00 H new ATOM 0 HE ARG A 382 13.051 1.416 4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 382 10.054 3.032 5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 382 10.795 4.634 5.590 1.00 0.00 H new ATOM 0 HH21 ARG A 382 13.933 3.461 4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 382 12.959 4.875 4.972 1.00 0.00 H new ATOM 775 N ALA A 383 8.262 -3.150 2.428 1.00 0.00 N ATOM 776 CA ALA A 383 8.379 -4.240 1.463 1.00 0.00 C ATOM 777 C ALA A 383 7.066 -4.453 0.702 1.00 0.00 C ATOM 778 O ALA A 383 7.063 -5.014 -0.391 1.00 0.00 O ATOM 779 CB ALA A 383 8.737 -5.517 2.222 1.00 0.00 C ATOM 0 H ALA A 383 8.166 -3.440 3.401 1.00 0.00 H new ATOM 0 HA ALA A 383 9.152 -3.989 0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 383 8.829 -6.345 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 383 9.684 -5.377 2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 383 7.954 -5.742 2.946 1.00 0.00 H new ATOM 785 N LEU A 384 5.980 -3.837 1.160 1.00 0.00 N ATOM 786 CA LEU A 384 4.669 -3.856 0.546 1.00 0.00 C ATOM 787 C LEU A 384 4.681 -2.979 -0.688 1.00 0.00 C ATOM 788 O LEU A 384 4.183 -3.403 -1.720 1.00 0.00 O ATOM 789 CB LEU A 384 3.666 -3.323 1.562 1.00 0.00 C ATOM 790 CG LEU A 384 2.192 -3.338 1.155 1.00 0.00 C ATOM 791 CD1 LEU A 384 1.673 -4.777 1.125 1.00 0.00 C ATOM 792 CD2 LEU A 384 1.451 -2.545 2.228 1.00 0.00 C ATOM 0 H LEU A 384 5.999 -3.283 2.016 1.00 0.00 H new ATOM 0 HA LEU A 384 4.395 -4.868 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 384 3.770 -3.904 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 384 3.941 -2.296 1.803 1.00 0.00 H new ATOM 0 HG LEU A 384 2.047 -2.909 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 384 0.622 -4.779 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 384 2.250 -5.357 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 384 1.776 -5.222 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 384 0.387 -2.520 1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 384 1.596 -3.021 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 384 1.840 -1.527 2.262 1.00 0.00 H new ATOM 804 N LEU A 385 5.252 -1.773 -0.628 1.00 0.00 N ATOM 805 CA LEU A 385 5.250 -0.891 -1.792 1.00 0.00 C ATOM 806 C LEU A 385 6.332 -1.329 -2.779 1.00 0.00 C ATOM 807 O LEU A 385 6.206 -1.021 -3.964 1.00 0.00 O ATOM 808 CB LEU A 385 5.414 0.593 -1.372 1.00 0.00 C ATOM 809 CG LEU A 385 4.252 1.060 -0.464 1.00 0.00 C ATOM 810 CD1 LEU A 385 4.551 2.461 0.077 1.00 0.00 C ATOM 811 CD2 LEU A 385 2.888 0.979 -1.163 1.00 0.00 C ATOM 0 H LEU A 385 5.713 -1.392 0.199 1.00 0.00 H new ATOM 0 HA LEU A 385 4.285 -0.970 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 385 6.361 0.721 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 385 5.456 1.221 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 385 4.181 0.374 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 385 3.730 2.787 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 385 5.475 2.438 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 385 4.661 3.156 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 385 2.109 1.318 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 385 2.895 1.613 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 385 2.690 -0.052 -1.456 1.00 0.00 H new ATOM 823 N ALA A 386 7.341 -2.087 -2.329 1.00 0.00 N ATOM 824 CA ALA A 386 8.281 -2.751 -3.224 1.00 0.00 C ATOM 825 C ALA A 386 7.658 -3.978 -3.910 1.00 0.00 C ATOM 826 O ALA A 386 7.847 -4.147 -5.111 1.00 0.00 O ATOM 827 CB ALA A 386 9.522 -3.171 -2.428 1.00 0.00 C ATOM 0 H ALA A 386 7.523 -2.253 -1.339 1.00 0.00 H new ATOM 0 HA ALA A 386 8.556 -2.046 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 386 10.229 -3.668 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 386 9.991 -2.288 -1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 386 9.229 -3.855 -1.632 1.00 0.00 H new ATOM 833 N SER A 387 6.880 -4.797 -3.194 1.00 0.00 N ATOM 834 CA SER A 387 6.391 -6.081 -3.692 1.00 0.00 C ATOM 835 C SER A 387 5.072 -5.874 -4.420 1.00 0.00 C ATOM 836 O SER A 387 4.896 -6.361 -5.539 1.00 0.00 O ATOM 837 CB SER A 387 6.217 -7.069 -2.525 1.00 0.00 C ATOM 838 OG SER A 387 5.738 -8.326 -2.973 1.00 0.00 O ATOM 0 H SER A 387 6.571 -4.583 -2.246 1.00 0.00 H new ATOM 0 HA SER A 387 7.117 -6.500 -4.389 1.00 0.00 H new ATOM 0 HB2 SER A 387 7.171 -7.203 -2.016 1.00 0.00 H new ATOM 0 HB3 SER A 387 5.522 -6.653 -1.796 1.00 0.00 H new ATOM 0 HG SER A 387 4.800 -8.241 -3.245 1.00 0.00 H new ATOM 844 N TRP A 388 4.124 -5.159 -3.808 1.00 0.00 N ATOM 845 CA TRP A 388 2.883 -4.849 -4.487 1.00 0.00 C ATOM 846 C TRP A 388 3.205 -4.030 -5.740 1.00 0.00 C ATOM 847 O TRP A 388 2.713 -4.330 -6.821 1.00 0.00 O ATOM 848 CB TRP A 388 1.897 -4.083 -3.602 1.00 0.00 C ATOM 849 CG TRP A 388 0.564 -3.968 -4.270 1.00 0.00 C ATOM 850 CD1 TRP A 388 -0.267 -4.991 -4.594 1.00 0.00 C ATOM 851 CD2 TRP A 388 0.011 -2.790 -4.918 1.00 0.00 C ATOM 852 NE1 TRP A 388 -1.311 -4.511 -5.364 1.00 0.00 N ATOM 853 CE2 TRP A 388 -1.160 -3.181 -5.630 1.00 0.00 C ATOM 854 CE3 TRP A 388 0.445 -1.456 -5.067 1.00 0.00 C ATOM 855 CZ2 TRP A 388 -1.882 -2.310 -6.443 1.00 0.00 C ATOM 856 CZ3 TRP A 388 -0.245 -0.592 -5.931 1.00 0.00 C ATOM 857 CH2 TRP A 388 -1.386 -1.015 -6.605 1.00 0.00 C ATOM 0 H TRP A 388 4.198 -4.793 -2.859 1.00 0.00 H new ATOM 0 HA TRP A 388 2.399 -5.790 -4.749 1.00 0.00 H new ATOM 0 HB2 TRP A 388 1.787 -4.594 -2.646 1.00 0.00 H new ATOM 0 HB3 TRP A 388 2.289 -3.089 -3.389 1.00 0.00 H new ATOM 0 HD1 TRP A 388 -0.134 -6.021 -4.297 1.00 0.00 H new ATOM 0 HE1 TRP A 388 -2.093 -5.078 -5.691 1.00 0.00 H new ATOM 0 HE3 TRP A 388 1.305 -1.101 -4.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 388 -2.793 -2.625 -6.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 388 0.115 0.416 -6.075 1.00 0.00 H new ATOM 0 HH2 TRP A 388 -1.897 -0.330 -7.265 1.00 0.00 H new ATOM 868 N GLY A 389 4.143 -3.082 -5.630 1.00 0.00 N ATOM 869 CA GLY A 389 4.629 -2.264 -6.733 1.00 0.00 C ATOM 870 C GLY A 389 5.471 -3.028 -7.760 1.00 0.00 C ATOM 871 O GLY A 389 6.134 -2.374 -8.569 1.00 0.00 O ATOM 0 H GLY A 389 4.594 -2.861 -4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 389 3.775 -1.816 -7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 389 5.225 -1.446 -6.328 1.00 0.00 H new ATOM 875 N ALA A 390 5.466 -4.364 -7.730 1.00 0.00 N ATOM 876 CA ALA A 390 6.055 -5.247 -8.724 1.00 0.00 C ATOM 877 C ALA A 390 4.997 -6.109 -9.432 1.00 0.00 C ATOM 878 O ALA A 390 5.351 -6.821 -10.370 1.00 0.00 O ATOM 879 CB ALA A 390 7.103 -6.139 -8.046 1.00 0.00 C ATOM 0 H ALA A 390 5.026 -4.880 -6.968 1.00 0.00 H new ATOM 0 HA ALA A 390 6.527 -4.631 -9.490 1.00 0.00 H new ATOM 0 HB1 ALA A 390 7.549 -6.804 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 390 7.880 -5.516 -7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 390 6.626 -6.732 -7.266 1.00 0.00 H new ATOM 885 N GLN A 391 3.723 -6.083 -9.013 1.00 0.00 N ATOM 886 CA GLN A 391 2.662 -6.762 -9.751 1.00 0.00 C ATOM 887 C GLN A 391 2.350 -5.886 -10.973 1.00 0.00 C ATOM 888 O GLN A 391 2.028 -4.707 -10.814 1.00 0.00 O ATOM 889 CB GLN A 391 1.406 -7.009 -8.883 1.00 0.00 C ATOM 890 CG GLN A 391 1.641 -7.515 -7.451 1.00 0.00 C ATOM 891 CD GLN A 391 2.528 -8.750 -7.369 1.00 0.00 C ATOM 892 OE1 GLN A 391 2.178 -9.826 -7.828 1.00 0.00 O ATOM 893 NE2 GLN A 391 3.678 -8.647 -6.721 1.00 0.00 N ATOM 0 H GLN A 391 3.409 -5.600 -8.171 1.00 0.00 H new ATOM 0 HA GLN A 391 2.989 -7.755 -10.058 1.00 0.00 H new ATOM 0 HB2 GLN A 391 0.844 -6.077 -8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 391 0.773 -7.731 -9.399 1.00 0.00 H new ATOM 0 HG2 GLN A 391 2.093 -6.716 -6.864 1.00 0.00 H new ATOM 0 HG3 GLN A 391 0.678 -7.741 -6.994 1.00 0.00 H new ATOM 0 HE21 GLN A 391 3.969 -7.747 -6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 391 4.273 -9.467 -6.605 1.00 0.00 H new ATOM 902 N ASP A 392 2.482 -6.415 -12.190 1.00 0.00 N ATOM 903 CA ASP A 392 2.170 -5.670 -13.413 1.00 0.00 C ATOM 904 C ASP A 392 0.673 -5.361 -13.478 1.00 0.00 C ATOM 905 O ASP A 392 -0.128 -6.269 -13.706 1.00 0.00 O ATOM 906 CB ASP A 392 2.646 -6.364 -14.694 1.00 0.00 C ATOM 907 CG ASP A 392 2.369 -5.479 -15.922 1.00 0.00 C ATOM 908 OD1 ASP A 392 2.274 -4.240 -15.745 1.00 0.00 O ATOM 909 OD2 ASP A 392 2.295 -6.044 -17.034 1.00 0.00 O ATOM 0 H ASP A 392 2.807 -7.367 -12.357 1.00 0.00 H new ATOM 0 HA ASP A 392 2.730 -4.736 -13.359 1.00 0.00 H new ATOM 0 HB2 ASP A 392 3.713 -6.576 -14.625 1.00 0.00 H new ATOM 0 HB3 ASP A 392 2.137 -7.321 -14.806 1.00 0.00 H new ATOM 914 N SER A 393 0.320 -4.115 -13.140 1.00 0.00 N ATOM 915 CA SER A 393 -0.977 -3.420 -13.068 1.00 0.00 C ATOM 916 C SER A 393 -1.122 -2.613 -11.770 1.00 0.00 C ATOM 917 O SER A 393 -2.032 -1.790 -11.665 1.00 0.00 O ATOM 918 CB SER A 393 -2.208 -4.316 -13.302 1.00 0.00 C ATOM 919 OG SER A 393 -2.244 -5.421 -12.426 1.00 0.00 O ATOM 0 H SER A 393 1.058 -3.466 -12.866 1.00 0.00 H new ATOM 0 HA SER A 393 -0.960 -2.730 -13.911 1.00 0.00 H new ATOM 0 HB2 SER A 393 -3.114 -3.724 -13.173 1.00 0.00 H new ATOM 0 HB3 SER A 393 -2.204 -4.673 -14.332 1.00 0.00 H new ATOM 0 HG SER A 393 -1.634 -6.116 -12.751 1.00 0.00 H new ATOM 925 N ALA A 394 -0.219 -2.795 -10.798 1.00 0.00 N ATOM 926 CA ALA A 394 -0.275 -2.212 -9.461 1.00 0.00 C ATOM 927 C ALA A 394 0.077 -0.717 -9.428 1.00 0.00 C ATOM 928 O ALA A 394 0.900 -0.271 -8.625 1.00 0.00 O ATOM 929 CB ALA A 394 0.679 -3.012 -8.574 1.00 0.00 C ATOM 0 H ALA A 394 0.606 -3.380 -10.933 1.00 0.00 H new ATOM 0 HA ALA A 394 -1.302 -2.270 -9.099 1.00 0.00 H new ATOM 0 HB1 ALA A 394 0.664 -2.604 -7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 394 0.364 -4.055 -8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 394 1.690 -2.948 -8.976 1.00 0.00 H new ATOM 935 N THR A 395 -0.513 0.097 -10.295 1.00 0.00 N ATOM 936 CA THR A 395 -0.162 1.502 -10.397 1.00 0.00 C ATOM 937 C THR A 395 -0.701 2.297 -9.197 1.00 0.00 C ATOM 938 O THR A 395 -1.472 1.768 -8.395 1.00 0.00 O ATOM 939 CB THR A 395 -0.548 2.000 -11.796 1.00 0.00 C ATOM 940 OG1 THR A 395 -1.904 1.783 -12.102 1.00 0.00 O ATOM 941 CG2 THR A 395 0.253 1.267 -12.876 1.00 0.00 C ATOM 0 H THR A 395 -1.244 -0.199 -10.942 1.00 0.00 H new ATOM 0 HA THR A 395 0.913 1.663 -10.320 1.00 0.00 H new ATOM 0 HB THR A 395 -0.337 3.069 -11.784 1.00 0.00 H new ATOM 0 HG1 THR A 395 -2.447 2.498 -11.709 1.00 0.00 H new ATOM 0 HG21 THR A 395 -0.038 1.637 -13.859 1.00 0.00 H new ATOM 0 HG22 THR A 395 1.318 1.444 -12.722 1.00 0.00 H new ATOM 0 HG23 THR A 395 0.050 0.198 -12.816 1.00 0.00 H new ATOM 949 N LEU A 396 -0.306 3.563 -9.003 1.00 0.00 N ATOM 950 CA LEU A 396 -0.774 4.292 -7.822 1.00 0.00 C ATOM 951 C LEU A 396 -2.301 4.437 -7.867 1.00 0.00 C ATOM 952 O LEU A 396 -2.969 4.317 -6.849 1.00 0.00 O ATOM 953 CB LEU A 396 -0.049 5.642 -7.649 1.00 0.00 C ATOM 954 CG LEU A 396 0.340 5.898 -6.175 1.00 0.00 C ATOM 955 CD1 LEU A 396 1.080 7.227 -5.990 1.00 0.00 C ATOM 956 CD2 LEU A 396 -0.826 5.861 -5.179 1.00 0.00 C ATOM 0 H LEU A 396 0.313 4.085 -9.623 1.00 0.00 H new ATOM 0 HA LEU A 396 -0.522 3.712 -6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 396 0.847 5.656 -8.269 1.00 0.00 H new ATOM 0 HB3 LEU A 396 -0.693 6.448 -8.001 1.00 0.00 H new ATOM 0 HG LEU A 396 0.996 5.058 -5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 396 1.331 7.360 -4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 396 1.994 7.220 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 396 0.441 8.048 -6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 396 -0.452 6.052 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 396 -1.556 6.625 -5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 396 -1.300 4.880 -5.210 1.00 0.00 H new ATOM 968 N ASP A 397 -2.867 4.574 -9.063 1.00 0.00 N ATOM 969 CA ASP A 397 -4.299 4.579 -9.347 1.00 0.00 C ATOM 970 C ASP A 397 -4.973 3.213 -9.137 1.00 0.00 C ATOM 971 O ASP A 397 -6.192 3.191 -8.973 1.00 0.00 O ATOM 972 CB ASP A 397 -4.592 5.174 -10.743 1.00 0.00 C ATOM 973 CG ASP A 397 -3.806 4.558 -11.903 1.00 0.00 C ATOM 974 OD1 ASP A 397 -2.609 4.232 -11.721 1.00 0.00 O ATOM 975 OD2 ASP A 397 -4.293 4.494 -13.051 1.00 0.00 O ATOM 0 H ASP A 397 -2.307 4.691 -9.907 1.00 0.00 H new ATOM 0 HA ASP A 397 -4.756 5.235 -8.606 1.00 0.00 H new ATOM 0 HB2 ASP A 397 -5.656 5.063 -10.949 1.00 0.00 H new ATOM 0 HB3 ASP A 397 -4.383 6.243 -10.714 1.00 0.00 H new ATOM 980 N ALA A 398 -4.228 2.108 -8.986 1.00 0.00 N ATOM 981 CA ALA A 398 -4.789 0.857 -8.464 1.00 0.00 C ATOM 982 C ALA A 398 -4.906 0.975 -6.944 1.00 0.00 C ATOM 983 O ALA A 398 -5.989 0.760 -6.401 1.00 0.00 O ATOM 984 CB ALA A 398 -3.934 -0.385 -8.805 1.00 0.00 C ATOM 0 H ALA A 398 -3.236 2.057 -9.218 1.00 0.00 H new ATOM 0 HA ALA A 398 -5.761 0.714 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 398 -4.405 -1.276 -8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 398 -3.856 -0.487 -9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 398 -2.938 -0.269 -8.379 1.00 0.00 H new ATOM 990 N LEU A 399 -3.820 1.322 -6.242 1.00 0.00 N ATOM 991 CA LEU A 399 -3.852 1.351 -4.778 1.00 0.00 C ATOM 992 C LEU A 399 -4.833 2.393 -4.265 1.00 0.00 C ATOM 993 O LEU A 399 -5.503 2.174 -3.263 1.00 0.00 O ATOM 994 CB LEU A 399 -2.460 1.597 -4.184 1.00 0.00 C ATOM 995 CG LEU A 399 -2.446 1.482 -2.641 1.00 0.00 C ATOM 996 CD1 LEU A 399 -1.171 0.781 -2.151 1.00 0.00 C ATOM 997 CD2 LEU A 399 -2.617 2.826 -1.922 1.00 0.00 C ATOM 0 H LEU A 399 -2.925 1.582 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 399 -4.191 0.368 -4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 399 -1.757 0.879 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 399 -2.115 2.589 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 399 -3.316 0.877 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 399 -1.188 0.714 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 399 -1.121 -0.222 -2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 399 -0.298 1.352 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 399 -2.597 2.667 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 399 -1.805 3.496 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 399 -3.570 3.272 -2.206 1.00 0.00 H new ATOM 1009 N LEU A 400 -4.925 3.531 -4.942 1.00 0.00 N ATOM 1010 CA LEU A 400 -5.845 4.604 -4.636 1.00 0.00 C ATOM 1011 C LEU A 400 -7.290 4.090 -4.709 1.00 0.00 C ATOM 1012 O LEU A 400 -8.123 4.460 -3.879 1.00 0.00 O ATOM 1013 CB LEU A 400 -5.560 5.703 -5.688 1.00 0.00 C ATOM 1014 CG LEU A 400 -6.680 6.691 -6.061 1.00 0.00 C ATOM 1015 CD1 LEU A 400 -6.062 8.027 -6.503 1.00 0.00 C ATOM 1016 CD2 LEU A 400 -7.591 6.232 -7.212 1.00 0.00 C ATOM 0 H LEU A 400 -4.335 3.733 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 400 -5.715 4.998 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 400 -4.712 6.287 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 400 -5.242 5.206 -6.604 1.00 0.00 H new ATOM 0 HG LEU A 400 -7.289 6.772 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 400 -6.856 8.726 -6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 400 -5.470 8.442 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 400 -5.421 7.862 -7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 400 -8.348 6.993 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 400 -6.994 6.082 -8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 400 -8.078 5.296 -6.940 1.00 0.00 H new ATOM 1028 N ALA A 401 -7.599 3.243 -5.699 1.00 0.00 N ATOM 1029 CA ALA A 401 -8.922 2.662 -5.859 1.00 0.00 C ATOM 1030 C ALA A 401 -9.176 1.660 -4.737 1.00 0.00 C ATOM 1031 O ALA A 401 -10.230 1.716 -4.099 1.00 0.00 O ATOM 1032 CB ALA A 401 -9.049 1.998 -7.232 1.00 0.00 C ATOM 0 H ALA A 401 -6.931 2.946 -6.410 1.00 0.00 H new ATOM 0 HA ALA A 401 -9.674 3.449 -5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -10.045 1.567 -7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -8.891 2.743 -8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 401 -8.301 1.210 -7.326 1.00 0.00 H new ATOM 1038 N ALA A 402 -8.198 0.787 -4.474 1.00 0.00 N ATOM 1039 CA ALA A 402 -8.230 -0.156 -3.369 1.00 0.00 C ATOM 1040 C ALA A 402 -8.503 0.594 -2.061 1.00 0.00 C ATOM 1041 O ALA A 402 -9.425 0.224 -1.348 1.00 0.00 O ATOM 1042 CB ALA A 402 -6.933 -0.974 -3.332 1.00 0.00 C ATOM 0 H ALA A 402 -7.350 0.721 -5.037 1.00 0.00 H new ATOM 0 HA ALA A 402 -9.043 -0.869 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 402 -6.970 -1.677 -2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 402 -6.823 -1.524 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 402 -6.083 -0.303 -3.203 1.00 0.00 H new ATOM 1048 N LEU A 403 -7.798 1.694 -1.773 1.00 0.00 N ATOM 1049 CA LEU A 403 -8.013 2.517 -0.580 1.00 0.00 C ATOM 1050 C LEU A 403 -9.439 3.034 -0.477 1.00 0.00 C ATOM 1051 O LEU A 403 -10.023 3.079 0.607 1.00 0.00 O ATOM 1052 CB LEU A 403 -7.080 3.727 -0.557 1.00 0.00 C ATOM 1053 CG LEU A 403 -5.756 3.527 0.174 1.00 0.00 C ATOM 1054 CD1 LEU A 403 -4.904 4.769 -0.110 1.00 0.00 C ATOM 1055 CD2 LEU A 403 -6.003 3.369 1.683 1.00 0.00 C ATOM 0 H LEU A 403 -7.050 2.042 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 403 -7.805 1.859 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -6.866 4.017 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -7.608 4.561 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 403 -5.248 2.625 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -3.942 4.673 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -4.743 4.862 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -5.420 5.656 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -5.051 3.227 2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -6.491 4.264 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -6.642 2.504 1.858 1.00 0.00 H new ATOM 1067 N ARG A 404 -9.999 3.480 -1.596 1.00 0.00 N ATOM 1068 CA ARG A 404 -11.341 4.033 -1.610 1.00 0.00 C ATOM 1069 C ARG A 404 -12.367 2.905 -1.384 1.00 0.00 C ATOM 1070 O ARG A 404 -13.417 3.181 -0.811 1.00 0.00 O ATOM 1071 CB ARG A 404 -11.488 4.900 -2.869 1.00 0.00 C ATOM 1072 CG ARG A 404 -12.806 5.685 -2.943 1.00 0.00 C ATOM 1073 CD ARG A 404 -12.663 6.911 -3.873 1.00 0.00 C ATOM 1074 NE ARG A 404 -12.850 8.197 -3.164 1.00 0.00 N ATOM 1075 CZ ARG A 404 -11.928 9.123 -2.839 1.00 0.00 C ATOM 1076 NH1 ARG A 404 -10.633 8.939 -3.064 1.00 0.00 N ATOM 1077 NH2 ARG A 404 -12.321 10.254 -2.270 1.00 0.00 N ATOM 0 H ARG A 404 -9.539 3.468 -2.506 1.00 0.00 H new ATOM 0 HA ARG A 404 -11.544 4.715 -0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 404 -10.656 5.603 -2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 404 -11.409 4.260 -3.748 1.00 0.00 H new ATOM 0 HG2 ARG A 404 -13.601 5.036 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 404 -13.096 6.012 -1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 404 -11.676 6.897 -4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 404 -13.393 6.837 -4.679 1.00 0.00 H new ATOM 0 HE ARG A 404 -13.807 8.411 -2.884 1.00 0.00 H new ATOM 0 HH11 ARG A 404 -10.308 8.074 -3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 404 -9.962 9.663 -2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 404 -13.311 10.414 -2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 404 -11.633 10.964 -2.019 1.00 0.00 H new ATOM 1091 N ARG A 405 -12.080 1.651 -1.767 1.00 0.00 N ATOM 1092 CA ARG A 405 -12.872 0.450 -1.439 1.00 0.00 C ATOM 1093 C ARG A 405 -13.088 0.308 0.072 1.00 0.00 C ATOM 1094 O ARG A 405 -14.217 0.100 0.505 1.00 0.00 O ATOM 1095 CB ARG A 405 -12.150 -0.796 -1.987 1.00 0.00 C ATOM 1096 CG ARG A 405 -13.001 -2.031 -2.277 1.00 0.00 C ATOM 1097 CD ARG A 405 -13.881 -2.516 -1.118 1.00 0.00 C ATOM 1098 NE ARG A 405 -14.281 -3.918 -1.320 1.00 0.00 N ATOM 1099 CZ ARG A 405 -14.177 -4.865 -0.383 1.00 0.00 C ATOM 1100 NH1 ARG A 405 -14.209 -4.568 0.911 1.00 0.00 N ATOM 1101 NH2 ARG A 405 -13.947 -6.114 -0.757 1.00 0.00 N ATOM 0 H ARG A 405 -11.260 1.435 -2.335 1.00 0.00 H new ATOM 0 HA ARG A 405 -13.854 0.549 -1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -11.642 -0.513 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -11.378 -1.079 -1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -13.643 -1.816 -3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -12.339 -2.845 -2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -13.338 -2.419 -0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -14.768 -1.887 -1.040 1.00 0.00 H new ATOM 0 HE ARG A 405 -14.660 -4.182 -2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 405 -14.315 -3.598 1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 405 -14.128 -5.310 1.607 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -13.852 -6.341 -1.747 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -13.865 -6.850 -0.055 1.00 0.00 H new ATOM 1115 N ILE A 406 -12.031 0.466 0.869 1.00 0.00 N ATOM 1116 CA ILE A 406 -12.042 0.574 2.329 1.00 0.00 C ATOM 1117 C ILE A 406 -12.217 1.989 2.865 1.00 0.00 C ATOM 1118 O ILE A 406 -11.992 2.243 4.045 1.00 0.00 O ATOM 1119 CB ILE A 406 -11.001 -0.343 3.036 1.00 0.00 C ATOM 1120 CG1 ILE A 406 -9.762 -0.863 2.298 1.00 0.00 C ATOM 1121 CG2 ILE A 406 -11.615 -1.486 3.792 1.00 0.00 C ATOM 1122 CD1 ILE A 406 -8.882 0.120 1.595 1.00 0.00 C ATOM 0 H ILE A 406 -11.086 0.526 0.490 1.00 0.00 H new ATOM 0 HA ILE A 406 -12.983 0.127 2.650 1.00 0.00 H new ATOM 0 HB ILE A 406 -10.594 0.430 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -9.147 -1.400 3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -10.098 -1.593 1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -10.828 -2.079 4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -12.280 -1.097 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -12.184 -2.113 3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -8.052 -0.407 1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -9.458 0.644 0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -8.493 0.840 2.315 1.00 0.00 H new ATOM 1134 N GLN A 407 -12.728 2.887 2.018 1.00 0.00 N ATOM 1135 CA GLN A 407 -13.100 4.269 2.292 1.00 0.00 C ATOM 1136 C GLN A 407 -12.030 5.050 3.067 1.00 0.00 C ATOM 1137 O GLN A 407 -12.296 6.149 3.559 1.00 0.00 O ATOM 1138 CB GLN A 407 -14.493 4.293 2.956 1.00 0.00 C ATOM 1139 CG GLN A 407 -15.239 5.632 2.787 1.00 0.00 C ATOM 1140 CD GLN A 407 -15.666 6.244 4.121 1.00 0.00 C ATOM 1141 OE1 GLN A 407 -16.845 6.309 4.442 1.00 0.00 O ATOM 1142 NE2 GLN A 407 -14.722 6.717 4.917 1.00 0.00 N ATOM 0 H GLN A 407 -12.905 2.641 1.044 1.00 0.00 H new ATOM 0 HA GLN A 407 -13.163 4.806 1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 407 -15.101 3.493 2.533 1.00 0.00 H new ATOM 0 HB3 GLN A 407 -14.382 4.081 4.019 1.00 0.00 H new ATOM 0 HG2 GLN A 407 -14.597 6.336 2.258 1.00 0.00 H new ATOM 0 HG3 GLN A 407 -16.121 5.476 2.165 1.00 0.00 H new ATOM 0 HE21 GLN A 407 -13.743 6.657 4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 407 -14.973 7.142 5.810 1.00 0.00 H new ATOM 1151 N ARG A 408 -10.789 4.563 3.075 1.00 0.00 N ATOM 1152 CA ARG A 408 -9.617 5.282 3.572 1.00 0.00 C ATOM 1153 C ARG A 408 -9.123 6.258 2.500 1.00 0.00 C ATOM 1154 O ARG A 408 -7.975 6.264 2.059 1.00 0.00 O ATOM 1155 CB ARG A 408 -8.587 4.279 4.097 1.00 0.00 C ATOM 1156 CG ARG A 408 -8.964 3.881 5.537 1.00 0.00 C ATOM 1157 CD ARG A 408 -8.510 4.949 6.550 1.00 0.00 C ATOM 1158 NE ARG A 408 -8.236 4.371 7.874 1.00 0.00 N ATOM 1159 CZ ARG A 408 -7.615 5.005 8.879 1.00 0.00 C ATOM 1160 NH1 ARG A 408 -7.363 6.314 8.796 1.00 0.00 N ATOM 1161 NH2 ARG A 408 -7.252 4.339 9.981 1.00 0.00 N ATOM 0 H ARG A 408 -10.566 3.631 2.726 1.00 0.00 H new ATOM 0 HA ARG A 408 -9.856 5.910 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 408 -8.560 3.397 3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 408 -7.589 4.718 4.076 1.00 0.00 H new ATOM 0 HG2 ARG A 408 -10.043 3.745 5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 408 -8.505 2.924 5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 408 -7.613 5.444 6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 408 -9.281 5.714 6.641 1.00 0.00 H new ATOM 0 HE ARG A 408 -8.542 3.413 8.041 1.00 0.00 H new ATOM 0 HH11 ARG A 408 -7.643 6.836 7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 408 -6.890 6.792 9.563 1.00 0.00 H new ATOM 0 HH21 ARG A 408 -7.447 3.341 10.061 1.00 0.00 H new ATOM 0 HH22 ARG A 408 -6.780 4.829 10.741 1.00 0.00 H new ATOM 1175 N ALA A 409 -10.064 7.077 2.038 1.00 0.00 N ATOM 1176 CA ALA A 409 -9.880 8.143 1.076 1.00 0.00 C ATOM 1177 C ALA A 409 -9.094 9.316 1.674 1.00 0.00 C ATOM 1178 O ALA A 409 -8.506 10.099 0.935 1.00 0.00 O ATOM 1179 CB ALA A 409 -11.270 8.581 0.629 1.00 0.00 C ATOM 0 H ALA A 409 -11.033 7.004 2.349 1.00 0.00 H new ATOM 0 HA ALA A 409 -9.293 7.791 0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 409 -11.181 9.387 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 409 -11.789 7.737 0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 409 -11.835 8.933 1.492 1.00 0.00 H new ATOM 1185 N ASP A 410 -9.033 9.395 3.004 1.00 0.00 N ATOM 1186 CA ASP A 410 -8.135 10.257 3.762 1.00 0.00 C ATOM 1187 C ASP A 410 -6.696 10.067 3.295 1.00 0.00 C ATOM 1188 O ASP A 410 -6.006 11.051 3.022 1.00 0.00 O ATOM 1189 CB ASP A 410 -8.284 10.001 5.285 1.00 0.00 C ATOM 1190 CG ASP A 410 -8.008 8.557 5.757 1.00 0.00 C ATOM 1191 OD1 ASP A 410 -8.225 7.621 4.957 1.00 0.00 O ATOM 1192 OD2 ASP A 410 -7.662 8.348 6.942 1.00 0.00 O ATOM 0 H ASP A 410 -9.636 8.834 3.606 1.00 0.00 H new ATOM 0 HA ASP A 410 -8.408 11.296 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 410 -7.607 10.671 5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 410 -9.297 10.272 5.582 1.00 0.00 H new ATOM 1197 N ILE A 411 -6.247 8.821 3.135 1.00 0.00 N ATOM 1198 CA ILE A 411 -4.910 8.570 2.618 1.00 0.00 C ATOM 1199 C ILE A 411 -4.855 8.892 1.134 1.00 0.00 C ATOM 1200 O ILE A 411 -3.827 9.385 0.692 1.00 0.00 O ATOM 1201 CB ILE A 411 -4.434 7.128 2.886 1.00 0.00 C ATOM 1202 CG1 ILE A 411 -4.501 6.839 4.403 1.00 0.00 C ATOM 1203 CG2 ILE A 411 -3.024 6.926 2.290 1.00 0.00 C ATOM 1204 CD1 ILE A 411 -4.244 5.375 4.736 1.00 0.00 C ATOM 0 H ILE A 411 -6.785 7.983 3.354 1.00 0.00 H new ATOM 0 HA ILE A 411 -4.225 9.228 3.153 1.00 0.00 H new ATOM 0 HB ILE A 411 -5.088 6.408 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 411 -3.768 7.459 4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 411 -5.483 7.126 4.780 1.00 0.00 H new ATOM 0 HG21 ILE A 411 -2.691 5.906 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 411 -3.055 7.102 1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 411 -2.330 7.627 2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 411 -4.304 5.231 5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 411 -4.993 4.753 4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 411 -3.251 5.091 4.387 1.00 0.00 H new ATOM 1216 N VAL A 412 -5.898 8.609 0.353 1.00 0.00 N ATOM 1217 CA VAL A 412 -5.837 8.772 -1.094 1.00 0.00 C ATOM 1218 C VAL A 412 -5.561 10.234 -1.450 1.00 0.00 C ATOM 1219 O VAL A 412 -4.657 10.522 -2.235 1.00 0.00 O ATOM 1220 CB VAL A 412 -7.167 8.339 -1.745 1.00 0.00 C ATOM 1221 CG1 VAL A 412 -7.170 8.613 -3.248 1.00 0.00 C ATOM 1222 CG2 VAL A 412 -7.431 6.851 -1.539 1.00 0.00 C ATOM 0 H VAL A 412 -6.793 8.266 0.701 1.00 0.00 H new ATOM 0 HA VAL A 412 -5.030 8.144 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 412 -7.948 8.925 -1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 412 -8.122 8.296 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 412 -7.032 9.680 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 412 -6.359 8.059 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 412 -8.376 6.580 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 412 -6.623 6.273 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 412 -7.483 6.635 -0.472 1.00 0.00 H new ATOM 1232 N GLU A 413 -6.371 11.153 -0.929 1.00 0.00 N ATOM 1233 CA GLU A 413 -6.233 12.559 -1.268 1.00 0.00 C ATOM 1234 C GLU A 413 -4.844 13.058 -0.824 1.00 0.00 C ATOM 1235 O GLU A 413 -4.190 13.824 -1.534 1.00 0.00 O ATOM 1236 CB GLU A 413 -7.421 13.332 -0.667 1.00 0.00 C ATOM 1237 CG GLU A 413 -8.644 13.392 -1.611 1.00 0.00 C ATOM 1238 CD GLU A 413 -9.502 12.111 -1.700 1.00 0.00 C ATOM 1239 OE1 GLU A 413 -9.126 11.133 -2.387 1.00 0.00 O ATOM 1240 OE2 GLU A 413 -10.646 12.109 -1.191 1.00 0.00 O ATOM 0 H GLU A 413 -7.125 10.946 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 413 -6.274 12.726 -2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -7.716 12.862 0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.103 14.347 -0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -9.286 14.212 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -8.292 13.638 -2.613 1.00 0.00 H new ATOM 1247 N SER A 414 -4.347 12.569 0.318 1.00 0.00 N ATOM 1248 CA SER A 414 -3.023 12.905 0.827 1.00 0.00 C ATOM 1249 C SER A 414 -1.910 12.265 -0.021 1.00 0.00 C ATOM 1250 O SER A 414 -0.836 12.850 -0.190 1.00 0.00 O ATOM 1251 CB SER A 414 -2.959 12.420 2.275 1.00 0.00 C ATOM 1252 OG SER A 414 -2.029 13.171 3.028 1.00 0.00 O ATOM 0 H SER A 414 -4.862 11.923 0.917 1.00 0.00 H new ATOM 0 HA SER A 414 -2.863 13.982 0.774 1.00 0.00 H new ATOM 0 HB2 SER A 414 -3.946 12.498 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 414 -2.680 11.366 2.296 1.00 0.00 H new ATOM 0 HG SER A 414 -2.227 13.074 3.983 1.00 0.00 H new ATOM 1258 N LEU A 415 -2.161 11.078 -0.574 1.00 0.00 N ATOM 1259 CA LEU A 415 -1.281 10.363 -1.492 1.00 0.00 C ATOM 1260 C LEU A 415 -0.868 11.174 -2.689 1.00 0.00 C ATOM 1261 O LEU A 415 0.311 11.094 -3.038 1.00 0.00 O ATOM 1262 CB LEU A 415 -1.847 9.014 -1.985 1.00 0.00 C ATOM 1263 CG LEU A 415 -1.247 7.795 -1.292 1.00 0.00 C ATOM 1264 CD1 LEU A 415 -2.075 6.542 -1.604 1.00 0.00 C ATOM 1265 CD2 LEU A 415 0.168 7.641 -1.869 1.00 0.00 C ATOM 0 H LEU A 415 -3.023 10.568 -0.384 1.00 0.00 H new ATOM 0 HA LEU A 415 -0.402 10.166 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -2.927 9.009 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -1.674 8.930 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 415 -1.235 7.919 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -1.634 5.680 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -3.097 6.684 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -2.083 6.370 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 415 0.656 6.780 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 415 0.107 7.493 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 415 0.747 8.540 -1.658 1.00 0.00 H new