USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=16 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 30:sc= -0.178 USER MOD Set 1.2: A 387 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 353 ASN : amide:sc= 1.67 K(o=3.6,f=-4.3!) USER MOD Set 2.2: A 356 THR OG1 : rot 87:sc= 1.95 USER MOD Single : A 337 TYR OH : rot 80:sc= -2.09 USER MOD Single : A 338 SER OG : rot -78:sc= 1.15 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 344 LYS NZ :NH3+ 176:sc= 2.41 (180deg=2.26) USER MOD Single : A 350 LYS NZ :NH3+ -125:sc= 1.03 (180deg=-2.09!) USER MOD Single : A 359 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.6!) USER MOD Single : A 367 GLN : amide:sc= 1.07 K(o=1.1,f=-0.019) USER MOD Single : A 370 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 373 SER OG : rot 97:sc= 0.159 USER MOD Single : A 375 THR OG1 : rot -31:sc= 0.545 USER MOD Single : A 376 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.5!) USER MOD Single : A 379 CYS SG : rot 7:sc= 0.566 USER MOD Single : A 391 GLN : amide:sc= 1.18 K(o=1.2,f=-2.5) USER MOD Single : A 393 SER OG : rot -100:sc= 1.26 USER MOD Single : A 395 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 407 GLN : amide:sc= 0.752 K(o=0.75,f=0) USER MOD Single : A 414 SER OG : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 336 3.571 4.072 -11.800 1.00 0.00 N ATOM 25 CA LEU A 336 3.420 2.989 -10.829 1.00 0.00 C ATOM 26 C LEU A 336 3.505 3.566 -9.418 1.00 0.00 C ATOM 27 O LEU A 336 3.925 4.714 -9.239 1.00 0.00 O ATOM 28 CB LEU A 336 4.464 1.879 -11.069 1.00 0.00 C ATOM 29 CG LEU A 336 4.123 0.849 -12.177 1.00 0.00 C ATOM 30 CD1 LEU A 336 4.276 -0.568 -11.613 1.00 0.00 C ATOM 31 CD2 LEU A 336 2.732 0.959 -12.827 1.00 0.00 C ATOM 0 HA LEU A 336 2.443 2.522 -10.951 1.00 0.00 H new ATOM 0 HB2 LEU A 336 5.414 2.350 -11.320 1.00 0.00 H new ATOM 0 HB3 LEU A 336 4.613 1.340 -10.133 1.00 0.00 H new ATOM 0 HG LEU A 336 4.829 1.077 -12.975 1.00 0.00 H new ATOM 0 HD11 LEU A 336 4.037 -1.296 -12.388 1.00 0.00 H new ATOM 0 HD12 LEU A 336 5.303 -0.718 -11.278 1.00 0.00 H new ATOM 0 HD13 LEU A 336 3.597 -0.700 -10.770 1.00 0.00 H new ATOM 0 HD21 LEU A 336 2.622 0.182 -13.584 1.00 0.00 H new ATOM 0 HD22 LEU A 336 1.963 0.835 -12.064 1.00 0.00 H new ATOM 0 HD23 LEU A 336 2.625 1.938 -13.294 1.00 0.00 H new ATOM 43 N TYR A 337 3.336 2.716 -8.408 1.00 0.00 N ATOM 44 CA TYR A 337 3.608 3.146 -7.047 1.00 0.00 C ATOM 45 C TYR A 337 5.116 3.126 -6.865 1.00 0.00 C ATOM 46 O TYR A 337 5.719 4.133 -6.506 1.00 0.00 O ATOM 47 CB TYR A 337 2.874 2.316 -5.983 1.00 0.00 C ATOM 48 CG TYR A 337 2.767 3.100 -4.688 1.00 0.00 C ATOM 49 CD1 TYR A 337 3.932 3.571 -4.056 1.00 0.00 C ATOM 50 CD2 TYR A 337 1.506 3.490 -4.192 1.00 0.00 C ATOM 51 CE1 TYR A 337 3.843 4.556 -3.071 1.00 0.00 C ATOM 52 CE2 TYR A 337 1.412 4.429 -3.147 1.00 0.00 C ATOM 53 CZ TYR A 337 2.593 5.007 -2.620 1.00 0.00 C ATOM 54 OH TYR A 337 2.633 6.003 -1.712 1.00 0.00 O ATOM 0 H TYR A 337 3.020 1.751 -8.505 1.00 0.00 H new ATOM 0 HA TYR A 337 3.219 4.154 -6.900 1.00 0.00 H new ATOM 0 HB2 TYR A 337 1.879 2.052 -6.340 1.00 0.00 H new ATOM 0 HB3 TYR A 337 3.408 1.382 -5.808 1.00 0.00 H new ATOM 0 HD1 TYR A 337 4.896 3.170 -4.333 1.00 0.00 H new ATOM 0 HD2 TYR A 337 0.608 3.066 -4.616 1.00 0.00 H new ATOM 0 HE1 TYR A 337 4.746 4.975 -2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 337 0.447 4.706 -2.750 1.00 0.00 H new ATOM 0 HH TYR A 337 2.783 6.857 -2.169 1.00 0.00 H new ATOM 64 N SER A 338 5.740 1.983 -7.143 1.00 0.00 N ATOM 65 CA SER A 338 7.148 1.708 -6.888 1.00 0.00 C ATOM 66 C SER A 338 8.097 2.671 -7.619 1.00 0.00 C ATOM 67 O SER A 338 9.274 2.737 -7.269 1.00 0.00 O ATOM 68 CB SER A 338 7.418 0.252 -7.285 1.00 0.00 C ATOM 69 OG SER A 338 6.325 -0.565 -6.902 1.00 0.00 O ATOM 0 H SER A 338 5.257 1.193 -7.569 1.00 0.00 H new ATOM 0 HA SER A 338 7.349 1.865 -5.828 1.00 0.00 H new ATOM 0 HB2 SER A 338 7.575 0.183 -8.361 1.00 0.00 H new ATOM 0 HB3 SER A 338 8.332 -0.101 -6.807 1.00 0.00 H new ATOM 0 HG SER A 338 6.377 -0.751 -5.941 1.00 0.00 H new ATOM 75 N SER A 339 7.581 3.434 -8.589 1.00 0.00 N ATOM 76 CA SER A 339 8.245 4.552 -9.237 1.00 0.00 C ATOM 77 C SER A 339 8.701 5.591 -8.205 1.00 0.00 C ATOM 78 O SER A 339 9.770 6.174 -8.370 1.00 0.00 O ATOM 79 CB SER A 339 7.275 5.168 -10.256 1.00 0.00 C ATOM 80 OG SER A 339 7.960 5.824 -11.301 1.00 0.00 O ATOM 0 H SER A 339 6.643 3.274 -8.956 1.00 0.00 H new ATOM 0 HA SER A 339 9.140 4.203 -9.752 1.00 0.00 H new ATOM 0 HB2 SER A 339 6.640 4.386 -10.672 1.00 0.00 H new ATOM 0 HB3 SER A 339 6.618 5.876 -9.751 1.00 0.00 H new ATOM 0 HG SER A 339 7.311 6.202 -11.931 1.00 0.00 H new ATOM 86 N LEU A 340 7.900 5.857 -7.164 1.00 0.00 N ATOM 87 CA LEU A 340 8.352 6.577 -5.980 1.00 0.00 C ATOM 88 C LEU A 340 9.475 5.751 -5.351 1.00 0.00 C ATOM 89 O LEU A 340 9.185 4.645 -4.884 1.00 0.00 O ATOM 90 CB LEU A 340 7.209 6.769 -4.968 1.00 0.00 C ATOM 91 CG LEU A 340 6.166 7.819 -5.386 1.00 0.00 C ATOM 92 CD1 LEU A 340 4.983 7.742 -4.417 1.00 0.00 C ATOM 93 CD2 LEU A 340 6.764 9.235 -5.390 1.00 0.00 C ATOM 0 H LEU A 340 6.920 5.576 -7.126 1.00 0.00 H new ATOM 0 HA LEU A 340 8.700 7.571 -6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 340 6.706 5.813 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 340 7.634 7.058 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 340 5.834 7.607 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 340 4.233 8.481 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 340 4.544 6.745 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 340 5.329 7.945 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 340 6.000 9.952 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 340 7.121 9.482 -4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 340 7.596 9.277 -6.093 1.00 0.00 H new ATOM 152 N LYS A 344 8.789 9.486 -0.322 1.00 0.00 N ATOM 153 CA LYS A 344 7.334 9.592 -0.218 1.00 0.00 C ATOM 154 C LYS A 344 6.748 8.344 0.441 1.00 0.00 C ATOM 155 O LYS A 344 5.804 8.479 1.204 1.00 0.00 O ATOM 156 CB LYS A 344 6.696 9.906 -1.581 1.00 0.00 C ATOM 157 CG LYS A 344 5.156 10.015 -1.587 1.00 0.00 C ATOM 158 CD LYS A 344 4.562 11.093 -0.665 1.00 0.00 C ATOM 159 CE LYS A 344 3.032 11.105 -0.801 1.00 0.00 C ATOM 160 NZ LYS A 344 2.392 12.074 0.115 1.00 0.00 N ATOM 0 HA LYS A 344 7.092 10.435 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 344 7.110 10.845 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 344 6.990 9.130 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 344 4.828 10.214 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 344 4.740 9.049 -1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 344 4.843 10.896 0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 344 4.967 12.071 -0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 344 2.763 11.349 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 344 2.644 10.107 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 344 1.367 12.094 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 344 2.568 11.790 1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 344 2.790 13.021 -0.048 1.00 0.00 H new ATOM 174 N ARG A 345 7.259 7.139 0.156 1.00 0.00 N ATOM 175 CA ARG A 345 6.724 5.920 0.761 1.00 0.00 C ATOM 176 C ARG A 345 6.832 5.979 2.282 1.00 0.00 C ATOM 177 O ARG A 345 5.982 5.416 2.950 1.00 0.00 O ATOM 178 CB ARG A 345 7.433 4.643 0.288 1.00 0.00 C ATOM 179 CG ARG A 345 7.603 4.505 -1.231 1.00 0.00 C ATOM 180 CD ARG A 345 7.815 3.028 -1.567 1.00 0.00 C ATOM 181 NE ARG A 345 8.477 2.828 -2.861 1.00 0.00 N ATOM 182 CZ ARG A 345 9.095 1.719 -3.277 1.00 0.00 C ATOM 183 NH1 ARG A 345 9.117 0.616 -2.523 1.00 0.00 N ATOM 184 NH2 ARG A 345 9.676 1.725 -4.473 1.00 0.00 N ATOM 0 H ARG A 345 8.037 6.986 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 345 5.683 5.873 0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 345 8.419 4.603 0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 345 6.874 3.782 0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 345 6.722 4.887 -1.746 1.00 0.00 H new ATOM 0 HG3 ARG A 345 8.453 5.096 -1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 345 8.413 2.564 -0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 345 6.851 2.520 -1.575 1.00 0.00 H new ATOM 0 HE ARG A 345 8.464 3.616 -3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 345 8.657 0.611 -1.613 1.00 0.00 H new ATOM 0 HH12 ARG A 345 9.594 -0.221 -2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 345 9.644 2.565 -5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 345 10.154 0.890 -4.812 1.00 0.00 H new ATOM 198 N GLU A 346 7.877 6.597 2.824 1.00 0.00 N ATOM 199 CA GLU A 346 8.101 6.721 4.262 1.00 0.00 C ATOM 200 C GLU A 346 7.108 7.701 4.891 1.00 0.00 C ATOM 201 O GLU A 346 6.535 7.413 5.939 1.00 0.00 O ATOM 202 CB GLU A 346 9.586 7.035 4.531 1.00 0.00 C ATOM 203 CG GLU A 346 10.448 5.883 3.972 1.00 0.00 C ATOM 204 CD GLU A 346 11.954 6.016 4.197 1.00 0.00 C ATOM 205 OE1 GLU A 346 12.514 7.087 3.885 1.00 0.00 O ATOM 206 OE2 GLU A 346 12.553 4.980 4.586 1.00 0.00 O ATOM 0 H GLU A 346 8.608 7.035 2.264 1.00 0.00 H new ATOM 0 HA GLU A 346 7.900 5.773 4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 346 9.864 7.977 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 346 9.759 7.151 5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 346 10.112 4.950 4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 346 10.264 5.803 2.901 1.00 0.00 H new ATOM 213 N GLU A 347 6.826 8.823 4.225 1.00 0.00 N ATOM 214 CA GLU A 347 5.724 9.707 4.611 1.00 0.00 C ATOM 215 C GLU A 347 4.382 8.960 4.531 1.00 0.00 C ATOM 216 O GLU A 347 3.501 9.132 5.375 1.00 0.00 O ATOM 217 CB GLU A 347 5.787 10.963 3.724 1.00 0.00 C ATOM 218 CG GLU A 347 4.879 12.121 4.166 1.00 0.00 C ATOM 219 CD GLU A 347 3.396 11.944 3.823 1.00 0.00 C ATOM 220 OE1 GLU A 347 3.086 11.538 2.680 1.00 0.00 O ATOM 221 OE2 GLU A 347 2.559 12.275 4.694 1.00 0.00 O ATOM 0 H GLU A 347 7.350 9.142 3.410 1.00 0.00 H new ATOM 0 HA GLU A 347 5.816 10.025 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 347 6.817 11.319 3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 347 5.521 10.682 2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 347 4.975 12.248 5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 347 5.237 13.041 3.704 1.00 0.00 H new ATOM 228 N VAL A 348 4.245 8.080 3.543 1.00 0.00 N ATOM 229 CA VAL A 348 3.071 7.257 3.331 1.00 0.00 C ATOM 230 C VAL A 348 2.987 6.127 4.353 1.00 0.00 C ATOM 231 O VAL A 348 1.871 5.745 4.658 1.00 0.00 O ATOM 232 CB VAL A 348 3.014 6.779 1.874 1.00 0.00 C ATOM 233 CG1 VAL A 348 1.899 5.753 1.619 1.00 0.00 C ATOM 234 CG2 VAL A 348 2.789 7.980 0.934 1.00 0.00 C ATOM 0 H VAL A 348 4.975 7.919 2.849 1.00 0.00 H new ATOM 0 HA VAL A 348 2.178 7.859 3.497 1.00 0.00 H new ATOM 0 HB VAL A 348 3.970 6.295 1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 348 1.912 5.455 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 348 2.060 4.877 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 348 0.933 6.198 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 348 2.750 7.632 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 348 1.849 8.470 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 348 3.609 8.689 1.047 1.00 0.00 H new ATOM 244 N GLU A 349 4.068 5.592 4.920 1.00 0.00 N ATOM 245 CA GLU A 349 3.949 4.643 6.038 1.00 0.00 C ATOM 246 C GLU A 349 3.145 5.273 7.178 1.00 0.00 C ATOM 247 O GLU A 349 2.343 4.613 7.836 1.00 0.00 O ATOM 248 CB GLU A 349 5.306 4.191 6.589 1.00 0.00 C ATOM 249 CG GLU A 349 6.144 3.397 5.584 1.00 0.00 C ATOM 250 CD GLU A 349 6.782 2.162 6.218 1.00 0.00 C ATOM 251 OE1 GLU A 349 7.584 2.330 7.161 1.00 0.00 O ATOM 252 OE2 GLU A 349 6.544 1.048 5.701 1.00 0.00 O ATOM 0 H GLU A 349 5.026 5.793 4.632 1.00 0.00 H new ATOM 0 HA GLU A 349 3.440 3.765 5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 349 5.870 5.068 6.906 1.00 0.00 H new ATOM 0 HB3 GLU A 349 5.143 3.579 7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 349 5.514 3.091 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 349 6.925 4.039 5.176 1.00 0.00 H new ATOM 259 N LYS A 350 3.325 6.578 7.397 1.00 0.00 N ATOM 260 CA LYS A 350 2.513 7.330 8.340 1.00 0.00 C ATOM 261 C LYS A 350 1.076 7.540 7.822 1.00 0.00 C ATOM 262 O LYS A 350 0.189 7.751 8.646 1.00 0.00 O ATOM 263 CB LYS A 350 3.312 8.604 8.690 1.00 0.00 C ATOM 264 CG LYS A 350 2.605 9.677 9.530 1.00 0.00 C ATOM 265 CD LYS A 350 2.270 10.950 8.733 1.00 0.00 C ATOM 266 CE LYS A 350 1.292 10.672 7.588 1.00 0.00 C ATOM 267 NZ LYS A 350 1.004 11.874 6.781 1.00 0.00 N ATOM 0 H LYS A 350 4.036 7.136 6.925 1.00 0.00 H new ATOM 0 HA LYS A 350 2.337 6.786 9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 350 4.213 8.300 9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 350 3.634 9.066 7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 350 1.685 9.260 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 350 3.239 9.942 10.376 1.00 0.00 H new ATOM 0 HD2 LYS A 350 1.840 11.694 9.403 1.00 0.00 H new ATOM 0 HD3 LYS A 350 3.188 11.377 8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 350 1.705 9.897 6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 350 0.360 10.283 7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 350 -0.023 12.032 6.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 350 1.467 12.700 7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 350 1.365 11.738 5.815 1.00 0.00 H new ATOM 281 N LEU A 351 0.816 7.570 6.506 1.00 0.00 N ATOM 282 CA LEU A 351 -0.545 7.672 5.957 1.00 0.00 C ATOM 283 C LEU A 351 -1.277 6.326 5.912 1.00 0.00 C ATOM 284 O LEU A 351 -2.289 6.163 6.584 1.00 0.00 O ATOM 285 CB LEU A 351 -0.533 8.231 4.524 1.00 0.00 C ATOM 286 CG LEU A 351 -0.127 9.698 4.352 1.00 0.00 C ATOM 287 CD1 LEU A 351 0.091 10.020 2.870 1.00 0.00 C ATOM 288 CD2 LEU A 351 -1.222 10.610 4.918 1.00 0.00 C ATOM 0 H LEU A 351 1.543 7.524 5.792 1.00 0.00 H new ATOM 0 HA LEU A 351 -1.070 8.345 6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 351 0.145 7.620 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 351 -1.530 8.104 4.103 1.00 0.00 H new ATOM 0 HG LEU A 351 0.804 9.868 4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 351 0.379 11.066 2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 351 0.881 9.384 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 351 -0.832 9.840 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 351 -0.928 11.652 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 351 -2.156 10.430 4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 351 -1.361 10.397 5.978 1.00 0.00 H new ATOM 300 N LEU A 352 -0.750 5.356 5.151 1.00 0.00 N ATOM 301 CA LEU A 352 -1.097 3.936 5.080 1.00 0.00 C ATOM 302 C LEU A 352 -0.630 3.331 6.412 1.00 0.00 C ATOM 303 O LEU A 352 0.269 2.500 6.452 1.00 0.00 O ATOM 304 CB LEU A 352 -0.472 3.257 3.817 1.00 0.00 C ATOM 305 CG LEU A 352 -1.021 3.635 2.407 1.00 0.00 C ATOM 306 CD1 LEU A 352 -0.266 2.964 1.245 1.00 0.00 C ATOM 307 CD2 LEU A 352 -2.492 3.260 2.210 1.00 0.00 C ATOM 0 H LEU A 352 0.008 5.573 4.504 1.00 0.00 H new ATOM 0 HA LEU A 352 -2.168 3.774 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 352 0.597 3.472 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -0.581 2.179 3.935 1.00 0.00 H new ATOM 0 HG LEU A 352 -0.882 4.716 2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -0.706 3.275 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 352 0.783 3.260 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -0.340 1.881 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -2.811 3.550 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -2.612 2.183 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -3.102 3.779 2.949 1.00 0.00 H new ATOM 319 N ASN A 353 -1.194 3.817 7.521 1.00 0.00 N ATOM 320 CA ASN A 353 -0.733 3.533 8.873 1.00 0.00 C ATOM 321 C ASN A 353 -0.826 2.039 9.175 1.00 0.00 C ATOM 322 O ASN A 353 -1.533 1.301 8.481 1.00 0.00 O ATOM 323 CB ASN A 353 -1.531 4.353 9.911 1.00 0.00 C ATOM 324 CG ASN A 353 -2.732 3.585 10.468 1.00 0.00 C ATOM 325 OD1 ASN A 353 -3.676 3.277 9.752 1.00 0.00 O ATOM 326 ND2 ASN A 353 -2.716 3.209 11.737 1.00 0.00 N ATOM 0 H ASN A 353 -2.005 4.435 7.497 1.00 0.00 H new ATOM 0 HA ASN A 353 0.314 3.829 8.942 1.00 0.00 H new ATOM 0 HB2 ASN A 353 -0.871 4.634 10.732 1.00 0.00 H new ATOM 0 HB3 ASN A 353 -1.878 5.278 9.450 1.00 0.00 H new ATOM 0 HD21 ASN A 353 -3.489 2.663 12.117 1.00 0.00 H new ATOM 0 HD22 ASN A 353 -1.930 3.465 12.335 1.00 0.00 H new ATOM 333 N GLY A 354 -0.186 1.629 10.277 1.00 0.00 N ATOM 334 CA GLY A 354 -0.237 0.297 10.871 1.00 0.00 C ATOM 335 C GLY A 354 -1.637 -0.081 11.356 1.00 0.00 C ATOM 336 O GLY A 354 -1.851 -0.212 12.554 1.00 0.00 O ATOM 0 H GLY A 354 0.416 2.260 10.806 1.00 0.00 H new ATOM 0 HA2 GLY A 354 0.099 -0.436 10.138 1.00 0.00 H new ATOM 0 HA3 GLY A 354 0.458 0.251 11.709 1.00 0.00 H new ATOM 340 N ASP A 355 -2.551 -0.279 10.408 1.00 0.00 N ATOM 341 CA ASP A 355 -3.913 -0.800 10.473 1.00 0.00 C ATOM 342 C ASP A 355 -4.583 -0.553 9.122 1.00 0.00 C ATOM 343 O ASP A 355 -5.051 -1.491 8.473 1.00 0.00 O ATOM 344 CB ASP A 355 -4.781 -0.160 11.568 1.00 0.00 C ATOM 345 CG ASP A 355 -6.237 -0.581 11.350 1.00 0.00 C ATOM 346 OD1 ASP A 355 -6.515 -1.792 11.458 1.00 0.00 O ATOM 347 OD2 ASP A 355 -7.046 0.292 10.958 1.00 0.00 O ATOM 0 H ASP A 355 -2.318 -0.044 9.443 1.00 0.00 H new ATOM 0 HA ASP A 355 -3.834 -1.859 10.718 1.00 0.00 H new ATOM 0 HB2 ASP A 355 -4.440 -0.477 12.554 1.00 0.00 H new ATOM 0 HB3 ASP A 355 -4.693 0.926 11.534 1.00 0.00 H new ATOM 352 N THR A 356 -4.597 0.699 8.652 1.00 0.00 N ATOM 353 CA THR A 356 -5.257 1.007 7.394 1.00 0.00 C ATOM 354 C THR A 356 -4.588 0.257 6.248 1.00 0.00 C ATOM 355 O THR A 356 -5.286 -0.252 5.370 1.00 0.00 O ATOM 356 CB THR A 356 -5.253 2.519 7.114 1.00 0.00 C ATOM 357 OG1 THR A 356 -5.811 3.233 8.201 1.00 0.00 O ATOM 358 CG2 THR A 356 -6.074 2.793 5.853 1.00 0.00 C ATOM 0 H THR A 356 -4.166 1.497 9.119 1.00 0.00 H new ATOM 0 HA THR A 356 -6.295 0.683 7.473 1.00 0.00 H new ATOM 0 HB THR A 356 -4.224 2.849 6.975 1.00 0.00 H new ATOM 0 HG1 THR A 356 -5.110 3.429 8.858 1.00 0.00 H new ATOM 0 HG21 THR A 356 -6.077 3.863 5.646 1.00 0.00 H new ATOM 0 HG22 THR A 356 -5.633 2.262 5.009 1.00 0.00 H new ATOM 0 HG23 THR A 356 -7.098 2.450 6.003 1.00 0.00 H new ATOM 366 N TRP A 357 -3.252 0.185 6.236 1.00 0.00 N ATOM 367 CA TRP A 357 -2.567 -0.615 5.241 1.00 0.00 C ATOM 368 C TRP A 357 -3.134 -2.047 5.209 1.00 0.00 C ATOM 369 O TRP A 357 -3.457 -2.515 4.131 1.00 0.00 O ATOM 370 CB TRP A 357 -1.047 -0.553 5.379 1.00 0.00 C ATOM 371 CG TRP A 357 -0.457 -1.621 6.238 1.00 0.00 C ATOM 372 CD1 TRP A 357 -0.242 -1.580 7.567 1.00 0.00 C ATOM 373 CD2 TRP A 357 -0.117 -2.970 5.821 1.00 0.00 C ATOM 374 NE1 TRP A 357 0.140 -2.829 8.017 1.00 0.00 N ATOM 375 CE2 TRP A 357 0.261 -3.720 6.967 1.00 0.00 C ATOM 376 CE3 TRP A 357 -0.156 -3.643 4.584 1.00 0.00 C ATOM 377 CZ2 TRP A 357 0.621 -5.069 6.852 1.00 0.00 C ATOM 378 CZ3 TRP A 357 0.260 -4.978 4.461 1.00 0.00 C ATOM 379 CH2 TRP A 357 0.656 -5.676 5.604 1.00 0.00 C ATOM 0 H TRP A 357 -2.641 0.666 6.896 1.00 0.00 H new ATOM 0 HA TRP A 357 -2.767 -0.179 4.262 1.00 0.00 H new ATOM 0 HB2 TRP A 357 -0.602 -0.617 4.386 1.00 0.00 H new ATOM 0 HB3 TRP A 357 -0.772 0.419 5.790 1.00 0.00 H new ATOM 0 HD1 TRP A 357 -0.352 -0.703 8.187 1.00 0.00 H new ATOM 0 HE1 TRP A 357 0.310 -3.063 8.995 1.00 0.00 H new ATOM 0 HE3 TRP A 357 -0.514 -3.120 3.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 357 0.872 -5.637 7.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 357 0.274 -5.459 3.494 1.00 0.00 H new ATOM 0 HH2 TRP A 357 0.993 -6.698 5.516 1.00 0.00 H new ATOM 390 N ARG A 358 -3.210 -2.769 6.346 1.00 0.00 N ATOM 391 CA ARG A 358 -3.852 -4.091 6.456 1.00 0.00 C ATOM 392 C ARG A 358 -5.172 -4.184 5.697 1.00 0.00 C ATOM 393 O ARG A 358 -5.369 -5.158 4.976 1.00 0.00 O ATOM 394 CB ARG A 358 -4.015 -4.608 7.900 1.00 0.00 C ATOM 395 CG ARG A 358 -2.752 -5.243 8.503 1.00 0.00 C ATOM 396 CD ARG A 358 -3.122 -5.962 9.811 1.00 0.00 C ATOM 397 NE ARG A 358 -2.007 -6.745 10.380 1.00 0.00 N ATOM 398 CZ ARG A 358 -1.844 -8.078 10.319 1.00 0.00 C ATOM 399 NH1 ARG A 358 -2.624 -8.835 9.556 1.00 0.00 N ATOM 400 NH2 ARG A 358 -0.891 -8.652 11.041 1.00 0.00 N ATOM 0 H ARG A 358 -2.819 -2.441 7.229 1.00 0.00 H new ATOM 0 HA ARG A 358 -3.139 -4.758 5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 358 -4.326 -3.779 8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 358 -4.819 -5.344 7.919 1.00 0.00 H new ATOM 0 HG2 ARG A 358 -2.313 -5.949 7.798 1.00 0.00 H new ATOM 0 HG3 ARG A 358 -2.001 -4.476 8.695 1.00 0.00 H new ATOM 0 HD2 ARG A 358 -3.450 -5.224 10.543 1.00 0.00 H new ATOM 0 HD3 ARG A 358 -3.967 -6.626 9.627 1.00 0.00 H new ATOM 0 HE ARG A 358 -1.284 -6.219 10.871 1.00 0.00 H new ATOM 0 HH11 ARG A 358 -3.365 -8.407 9.001 1.00 0.00 H new ATOM 0 HH12 ARG A 358 -2.482 -9.845 9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 358 -0.289 -8.083 11.636 1.00 0.00 H new ATOM 0 HH22 ARG A 358 -0.760 -9.663 11.001 1.00 0.00 H new ATOM 414 N HIS A 359 -6.078 -3.218 5.901 1.00 0.00 N ATOM 415 CA HIS A 359 -7.376 -3.203 5.227 1.00 0.00 C ATOM 416 C HIS A 359 -7.146 -3.265 3.716 1.00 0.00 C ATOM 417 O HIS A 359 -7.649 -4.150 3.029 1.00 0.00 O ATOM 418 CB HIS A 359 -8.183 -1.936 5.570 1.00 0.00 C ATOM 419 CG HIS A 359 -8.706 -1.794 6.980 1.00 0.00 C ATOM 420 ND1 HIS A 359 -7.988 -1.742 8.161 1.00 0.00 N ATOM 421 CD2 HIS A 359 -10.018 -1.550 7.287 1.00 0.00 C ATOM 422 CE1 HIS A 359 -8.864 -1.504 9.154 1.00 0.00 C ATOM 423 NE2 HIS A 359 -10.106 -1.332 8.663 1.00 0.00 N ATOM 0 H HIS A 359 -5.930 -2.432 6.534 1.00 0.00 H new ATOM 0 HA HIS A 359 -7.950 -4.065 5.567 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -7.555 -1.071 5.357 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -9.034 -1.887 4.891 1.00 0.00 H new ATOM 0 HD1 HIS A 359 -6.980 -1.862 8.261 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -10.840 -1.530 6.587 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -8.606 -1.457 10.202 1.00 0.00 H new ATOM 431 N LEU A 360 -6.360 -2.313 3.216 1.00 0.00 N ATOM 432 CA LEU A 360 -5.976 -2.187 1.820 1.00 0.00 C ATOM 433 C LEU A 360 -5.257 -3.440 1.307 1.00 0.00 C ATOM 434 O LEU A 360 -5.454 -3.811 0.160 1.00 0.00 O ATOM 435 CB LEU A 360 -5.112 -0.920 1.706 1.00 0.00 C ATOM 436 CG LEU A 360 -4.246 -0.843 0.439 1.00 0.00 C ATOM 437 CD1 LEU A 360 -5.120 -0.536 -0.772 1.00 0.00 C ATOM 438 CD2 LEU A 360 -3.185 0.239 0.609 1.00 0.00 C ATOM 0 H LEU A 360 -5.959 -1.580 3.801 1.00 0.00 H new ATOM 0 HA LEU A 360 -6.858 -2.095 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 360 -5.765 -0.048 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 360 -4.461 -0.861 2.578 1.00 0.00 H new ATOM 0 HG LEU A 360 -3.754 -1.803 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 360 -4.498 -0.483 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 360 -5.863 -1.324 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 360 -5.624 0.419 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 360 -2.572 0.292 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 360 -3.670 1.201 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 360 -2.554 -0.002 1.465 1.00 0.00 H new ATOM 450 N ALA A 361 -4.392 -4.063 2.105 1.00 0.00 N ATOM 451 CA ALA A 361 -3.571 -5.204 1.727 1.00 0.00 C ATOM 452 C ALA A 361 -4.428 -6.308 1.097 1.00 0.00 C ATOM 453 O ALA A 361 -4.093 -6.795 0.019 1.00 0.00 O ATOM 454 CB ALA A 361 -2.721 -5.657 2.924 1.00 0.00 C ATOM 0 H ALA A 361 -4.240 -3.772 3.071 1.00 0.00 H new ATOM 0 HA ALA A 361 -2.864 -4.917 0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -2.109 -6.511 2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -2.074 -4.839 3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -3.375 -5.943 3.748 1.00 0.00 H new ATOM 460 N GLY A 362 -5.542 -6.672 1.740 1.00 0.00 N ATOM 461 CA GLY A 362 -6.480 -7.646 1.194 1.00 0.00 C ATOM 462 C GLY A 362 -7.118 -7.167 -0.110 1.00 0.00 C ATOM 463 O GLY A 362 -7.280 -7.950 -1.046 1.00 0.00 O ATOM 0 H GLY A 362 -5.814 -6.299 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 362 -5.961 -8.588 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 362 -7.262 -7.845 1.927 1.00 0.00 H new ATOM 467 N GLU A 363 -7.455 -5.878 -0.190 1.00 0.00 N ATOM 468 CA GLU A 363 -8.046 -5.270 -1.382 1.00 0.00 C ATOM 469 C GLU A 363 -7.062 -5.266 -2.564 1.00 0.00 C ATOM 470 O GLU A 363 -7.490 -5.201 -3.716 1.00 0.00 O ATOM 471 CB GLU A 363 -8.500 -3.831 -1.077 1.00 0.00 C ATOM 472 CG GLU A 363 -9.520 -3.705 0.065 1.00 0.00 C ATOM 473 CD GLU A 363 -10.931 -4.088 -0.377 1.00 0.00 C ATOM 474 OE1 GLU A 363 -11.178 -5.265 -0.732 1.00 0.00 O ATOM 475 OE2 GLU A 363 -11.780 -3.173 -0.499 1.00 0.00 O ATOM 0 H GLU A 363 -7.324 -5.221 0.579 1.00 0.00 H new ATOM 0 HA GLU A 363 -8.910 -5.872 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 363 -7.623 -3.233 -0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 363 -8.933 -3.402 -1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 363 -9.215 -4.343 0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 363 -9.523 -2.680 0.436 1.00 0.00 H new ATOM 482 N LEU A 364 -5.755 -5.381 -2.298 1.00 0.00 N ATOM 483 CA LEU A 364 -4.677 -5.506 -3.279 1.00 0.00 C ATOM 484 C LEU A 364 -4.418 -6.974 -3.638 1.00 0.00 C ATOM 485 O LEU A 364 -3.289 -7.350 -3.947 1.00 0.00 O ATOM 486 CB LEU A 364 -3.403 -4.799 -2.773 1.00 0.00 C ATOM 487 CG LEU A 364 -3.535 -3.273 -2.638 1.00 0.00 C ATOM 488 CD1 LEU A 364 -2.197 -2.675 -2.194 1.00 0.00 C ATOM 489 CD2 LEU A 364 -3.987 -2.602 -3.938 1.00 0.00 C ATOM 0 H LEU A 364 -5.405 -5.389 -1.340 1.00 0.00 H new ATOM 0 HA LEU A 364 -4.987 -5.009 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 364 -3.132 -5.215 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 364 -2.583 -5.022 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 364 -4.304 -3.084 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 364 -2.295 -1.594 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 364 -1.911 -3.099 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 364 -1.431 -2.907 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 364 -4.063 -1.526 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 364 -3.260 -2.806 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 364 -4.960 -2.996 -4.232 1.00 0.00 H new ATOM 501 N GLY A 365 -5.468 -7.799 -3.628 1.00 0.00 N ATOM 502 CA GLY A 365 -5.444 -9.203 -4.021 1.00 0.00 C ATOM 503 C GLY A 365 -4.364 -10.044 -3.351 1.00 0.00 C ATOM 504 O GLY A 365 -3.938 -11.048 -3.920 1.00 0.00 O ATOM 0 H GLY A 365 -6.394 -7.491 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 365 -6.416 -9.643 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 365 -5.309 -9.260 -5.101 1.00 0.00 H new ATOM 508 N TYR A 366 -3.959 -9.687 -2.133 1.00 0.00 N ATOM 509 CA TYR A 366 -2.991 -10.438 -1.360 1.00 0.00 C ATOM 510 C TYR A 366 -3.755 -11.092 -0.212 1.00 0.00 C ATOM 511 O TYR A 366 -4.243 -10.407 0.686 1.00 0.00 O ATOM 512 CB TYR A 366 -1.878 -9.489 -0.893 1.00 0.00 C ATOM 513 CG TYR A 366 -0.791 -9.158 -1.910 1.00 0.00 C ATOM 514 CD1 TYR A 366 -0.088 -10.194 -2.561 1.00 0.00 C ATOM 515 CD2 TYR A 366 -0.358 -7.826 -2.047 1.00 0.00 C ATOM 516 CE1 TYR A 366 1.042 -9.905 -3.344 1.00 0.00 C ATOM 517 CE2 TYR A 366 0.789 -7.534 -2.801 1.00 0.00 C ATOM 518 CZ TYR A 366 1.493 -8.571 -3.449 1.00 0.00 C ATOM 519 OH TYR A 366 2.614 -8.271 -4.157 1.00 0.00 O ATOM 0 H TYR A 366 -4.304 -8.854 -1.655 1.00 0.00 H new ATOM 0 HA TYR A 366 -2.500 -11.221 -1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 366 -2.339 -8.555 -0.571 1.00 0.00 H new ATOM 0 HB3 TYR A 366 -1.402 -9.928 -0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 366 -0.421 -11.216 -2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 366 -0.909 -7.028 -1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 366 1.562 -10.697 -3.862 1.00 0.00 H new ATOM 0 HE2 TYR A 366 1.133 -6.514 -2.885 1.00 0.00 H new ATOM 0 HH TYR A 366 2.723 -8.917 -4.886 1.00 0.00 H new ATOM 529 N GLN A 367 -3.917 -12.419 -0.283 1.00 0.00 N ATOM 530 CA GLN A 367 -4.547 -13.237 0.758 1.00 0.00 C ATOM 531 C GLN A 367 -3.910 -12.958 2.138 1.00 0.00 C ATOM 532 O GLN A 367 -2.752 -12.530 2.180 1.00 0.00 O ATOM 533 CB GLN A 367 -4.456 -14.727 0.364 1.00 0.00 C ATOM 534 CG GLN A 367 -5.021 -15.025 -1.038 1.00 0.00 C ATOM 535 CD GLN A 367 -5.329 -16.503 -1.312 1.00 0.00 C ATOM 536 OE1 GLN A 367 -6.137 -16.808 -2.182 1.00 0.00 O ATOM 537 NE2 GLN A 367 -4.721 -17.458 -0.628 1.00 0.00 N ATOM 0 H GLN A 367 -3.606 -12.966 -1.086 1.00 0.00 H new ATOM 0 HA GLN A 367 -5.601 -12.972 0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 367 -3.413 -15.042 0.402 1.00 0.00 H new ATOM 0 HB3 GLN A 367 -4.996 -15.323 1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 367 -5.935 -14.447 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 367 -4.307 -14.674 -1.783 1.00 0.00 H new ATOM 0 HE21 GLN A 367 -4.047 -17.215 0.098 1.00 0.00 H new ATOM 0 HE22 GLN A 367 -4.926 -18.437 -0.827 1.00 0.00 H new ATOM 546 N PRO A 368 -4.579 -13.247 3.273 1.00 0.00 N ATOM 547 CA PRO A 368 -4.076 -12.866 4.592 1.00 0.00 C ATOM 548 C PRO A 368 -2.707 -13.460 4.940 1.00 0.00 C ATOM 549 O PRO A 368 -1.978 -12.850 5.717 1.00 0.00 O ATOM 550 CB PRO A 368 -5.163 -13.238 5.605 1.00 0.00 C ATOM 551 CG PRO A 368 -6.060 -14.219 4.855 1.00 0.00 C ATOM 552 CD PRO A 368 -5.923 -13.789 3.396 1.00 0.00 C ATOM 0 HA PRO A 368 -3.883 -11.793 4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 368 -4.735 -13.694 6.498 1.00 0.00 H new ATOM 0 HB3 PRO A 368 -5.720 -12.360 5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 368 -5.737 -15.250 5.001 1.00 0.00 H new ATOM 0 HG3 PRO A 368 -7.094 -14.158 5.196 1.00 0.00 H new ATOM 0 HD2 PRO A 368 -6.068 -14.634 2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 368 -6.672 -13.042 3.135 1.00 0.00 H new ATOM 560 N GLU A 369 -2.310 -14.570 4.317 1.00 0.00 N ATOM 561 CA GLU A 369 -0.989 -15.171 4.471 1.00 0.00 C ATOM 562 C GLU A 369 0.094 -14.167 4.056 1.00 0.00 C ATOM 563 O GLU A 369 1.119 -14.038 4.730 1.00 0.00 O ATOM 564 CB GLU A 369 -0.847 -16.442 3.606 1.00 0.00 C ATOM 565 CG GLU A 369 -1.986 -17.470 3.718 1.00 0.00 C ATOM 566 CD GLU A 369 -3.146 -17.120 2.778 1.00 0.00 C ATOM 567 OE1 GLU A 369 -3.078 -17.487 1.585 1.00 0.00 O ATOM 568 OE2 GLU A 369 -4.074 -16.415 3.228 1.00 0.00 O ATOM 0 H GLU A 369 -2.913 -15.086 3.677 1.00 0.00 H new ATOM 0 HA GLU A 369 -0.869 -15.443 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 369 -0.761 -16.139 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 369 0.088 -16.936 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 369 -1.607 -18.463 3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 369 -2.346 -17.506 4.746 1.00 0.00 H new ATOM 575 N HIS A 370 -0.144 -13.441 2.958 1.00 0.00 N ATOM 576 CA HIS A 370 0.716 -12.369 2.483 1.00 0.00 C ATOM 577 C HIS A 370 0.630 -11.173 3.424 1.00 0.00 C ATOM 578 O HIS A 370 1.663 -10.593 3.736 1.00 0.00 O ATOM 579 CB HIS A 370 0.319 -11.917 1.074 1.00 0.00 C ATOM 580 CG HIS A 370 0.573 -12.923 -0.013 1.00 0.00 C ATOM 581 ND1 HIS A 370 1.714 -13.006 -0.780 1.00 0.00 N ATOM 582 CD2 HIS A 370 -0.311 -13.865 -0.466 1.00 0.00 C ATOM 583 CE1 HIS A 370 1.520 -13.985 -1.680 1.00 0.00 C ATOM 584 NE2 HIS A 370 0.301 -14.527 -1.534 1.00 0.00 N ATOM 0 H HIS A 370 -0.961 -13.592 2.366 1.00 0.00 H new ATOM 0 HA HIS A 370 1.735 -12.754 2.456 1.00 0.00 H new ATOM 0 HB2 HIS A 370 -0.742 -11.666 1.075 1.00 0.00 H new ATOM 0 HB3 HIS A 370 0.862 -11.003 0.836 1.00 0.00 H new ATOM 0 HD2 HIS A 370 -1.297 -14.060 -0.072 1.00 0.00 H new ATOM 0 HE1 HIS A 370 2.245 -14.293 -2.419 1.00 0.00 H new ATOM 0 HE2 HIS A 370 -0.102 -15.278 -2.095 1.00 0.00 H new ATOM 592 N ILE A 371 -0.575 -10.782 3.857 1.00 0.00 N ATOM 593 CA ILE A 371 -0.768 -9.610 4.712 1.00 0.00 C ATOM 594 C ILE A 371 0.059 -9.786 5.987 1.00 0.00 C ATOM 595 O ILE A 371 0.806 -8.886 6.371 1.00 0.00 O ATOM 596 CB ILE A 371 -2.264 -9.350 5.025 1.00 0.00 C ATOM 597 CG1 ILE A 371 -3.114 -9.274 3.735 1.00 0.00 C ATOM 598 CG2 ILE A 371 -2.403 -8.054 5.851 1.00 0.00 C ATOM 599 CD1 ILE A 371 -4.612 -9.055 3.983 1.00 0.00 C ATOM 0 H ILE A 371 -1.440 -11.270 3.624 1.00 0.00 H new ATOM 0 HA ILE A 371 -0.422 -8.725 4.178 1.00 0.00 H new ATOM 0 HB ILE A 371 -2.643 -10.190 5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 371 -2.738 -8.463 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 371 -2.981 -10.197 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 371 -3.455 -7.873 6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 371 -1.851 -8.157 6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 371 -2.001 -7.215 5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 371 -5.137 -9.013 3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 371 -5.006 -9.879 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 371 -4.759 -8.117 4.519 1.00 0.00 H new ATOM 611 N ASP A 372 -0.041 -10.935 6.652 1.00 0.00 N ATOM 612 CA ASP A 372 0.741 -11.141 7.863 1.00 0.00 C ATOM 613 C ASP A 372 2.225 -11.272 7.517 1.00 0.00 C ATOM 614 O ASP A 372 3.069 -10.766 8.257 1.00 0.00 O ATOM 615 CB ASP A 372 0.195 -12.297 8.711 1.00 0.00 C ATOM 616 CG ASP A 372 -0.658 -11.692 9.826 1.00 0.00 C ATOM 617 OD1 ASP A 372 -0.094 -11.263 10.856 1.00 0.00 O ATOM 618 OD2 ASP A 372 -1.862 -11.444 9.597 1.00 0.00 O ATOM 0 H ASP A 372 -0.639 -11.716 6.381 1.00 0.00 H new ATOM 0 HA ASP A 372 0.643 -10.262 8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -0.401 -12.973 8.098 1.00 0.00 H new ATOM 0 HB3 ASP A 372 1.013 -12.883 9.130 1.00 0.00 H new ATOM 623 N SER A 373 2.572 -11.837 6.355 1.00 0.00 N ATOM 624 CA SER A 373 3.970 -11.991 5.956 1.00 0.00 C ATOM 625 C SER A 373 4.597 -10.641 5.563 1.00 0.00 C ATOM 626 O SER A 373 5.817 -10.514 5.500 1.00 0.00 O ATOM 627 CB SER A 373 4.011 -12.902 4.725 1.00 0.00 C ATOM 628 OG SER A 373 4.080 -14.258 5.111 1.00 0.00 O ATOM 0 H SER A 373 1.901 -12.195 5.676 1.00 0.00 H new ATOM 0 HA SER A 373 4.528 -12.405 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 373 3.123 -12.737 4.114 1.00 0.00 H new ATOM 0 HB3 SER A 373 4.874 -12.650 4.108 1.00 0.00 H new ATOM 0 HG SER A 373 3.182 -14.650 5.092 1.00 0.00 H new ATOM 634 N PHE A 374 3.789 -9.598 5.399 1.00 0.00 N ATOM 635 CA PHE A 374 4.238 -8.264 5.018 1.00 0.00 C ATOM 636 C PHE A 374 4.583 -7.452 6.254 1.00 0.00 C ATOM 637 O PHE A 374 5.468 -6.607 6.184 1.00 0.00 O ATOM 638 CB PHE A 374 3.151 -7.531 4.216 1.00 0.00 C ATOM 639 CG PHE A 374 3.273 -7.605 2.717 1.00 0.00 C ATOM 640 CD1 PHE A 374 4.472 -7.222 2.085 1.00 0.00 C ATOM 641 CD2 PHE A 374 2.196 -8.064 1.931 1.00 0.00 C ATOM 642 CE1 PHE A 374 4.603 -7.325 0.689 1.00 0.00 C ATOM 643 CE2 PHE A 374 2.323 -8.153 0.533 1.00 0.00 C ATOM 644 CZ PHE A 374 3.525 -7.783 -0.092 1.00 0.00 C ATOM 0 H PHE A 374 2.779 -9.659 5.531 1.00 0.00 H new ATOM 0 HA PHE A 374 5.126 -8.373 4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 374 2.181 -7.937 4.502 1.00 0.00 H new ATOM 0 HB3 PHE A 374 3.157 -6.481 4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 374 5.295 -6.847 2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 374 1.268 -8.349 2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 374 5.534 -7.052 0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 374 1.494 -8.507 -0.062 1.00 0.00 H new ATOM 0 HZ PHE A 374 3.622 -7.849 -1.166 1.00 0.00 H new ATOM 654 N THR A 375 3.927 -7.696 7.390 1.00 0.00 N ATOM 655 CA THR A 375 4.304 -7.020 8.625 1.00 0.00 C ATOM 656 C THR A 375 5.522 -7.698 9.290 1.00 0.00 C ATOM 657 O THR A 375 5.922 -7.263 10.369 1.00 0.00 O ATOM 658 CB THR A 375 3.085 -6.847 9.545 1.00 0.00 C ATOM 659 OG1 THR A 375 3.395 -6.093 10.696 1.00 0.00 O ATOM 660 CG2 THR A 375 2.410 -8.150 9.959 1.00 0.00 C ATOM 0 H THR A 375 3.146 -8.346 7.477 1.00 0.00 H new ATOM 0 HA THR A 375 4.640 -6.010 8.393 1.00 0.00 H new ATOM 0 HB THR A 375 2.368 -6.303 8.930 1.00 0.00 H new ATOM 0 HG1 THR A 375 4.330 -6.248 10.947 1.00 0.00 H new ATOM 0 HG21 THR A 375 1.561 -7.930 10.606 1.00 0.00 H new ATOM 0 HG22 THR A 375 2.062 -8.678 9.071 1.00 0.00 H new ATOM 0 HG23 THR A 375 3.124 -8.775 10.496 1.00 0.00 H new ATOM 668 N HIS A 376 6.074 -8.764 8.694 1.00 0.00 N ATOM 669 CA HIS A 376 7.339 -9.383 9.079 1.00 0.00 C ATOM 670 C HIS A 376 8.534 -8.594 8.532 1.00 0.00 C ATOM 671 O HIS A 376 9.578 -8.576 9.183 1.00 0.00 O ATOM 672 CB HIS A 376 7.392 -10.861 8.667 1.00 0.00 C ATOM 673 CG HIS A 376 6.595 -11.762 9.581 1.00 0.00 C ATOM 674 ND1 HIS A 376 5.223 -11.844 9.669 1.00 0.00 N ATOM 675 CD2 HIS A 376 7.116 -12.626 10.507 1.00 0.00 C ATOM 676 CE1 HIS A 376 4.927 -12.740 10.625 1.00 0.00 C ATOM 677 NE2 HIS A 376 6.048 -13.246 11.165 1.00 0.00 N ATOM 0 H HIS A 376 5.632 -9.232 7.903 1.00 0.00 H new ATOM 0 HA HIS A 376 7.403 -9.354 10.167 1.00 0.00 H new ATOM 0 HB2 HIS A 376 7.015 -10.962 7.649 1.00 0.00 H new ATOM 0 HB3 HIS A 376 8.431 -11.192 8.657 1.00 0.00 H new ATOM 0 HD1 HIS A 376 4.552 -11.319 9.109 1.00 0.00 H new ATOM 0 HD2 HIS A 376 8.165 -12.798 10.696 1.00 0.00 H new ATOM 0 HE1 HIS A 376 3.925 -13.016 10.919 1.00 0.00 H new ATOM 685 N GLU A 377 8.435 -8.059 7.307 1.00 0.00 N ATOM 686 CA GLU A 377 9.444 -7.147 6.767 1.00 0.00 C ATOM 687 C GLU A 377 9.800 -5.976 7.678 1.00 0.00 C ATOM 688 O GLU A 377 9.070 -5.638 8.611 1.00 0.00 O ATOM 689 CB GLU A 377 9.003 -6.625 5.382 1.00 0.00 C ATOM 690 CG GLU A 377 9.322 -7.611 4.255 1.00 0.00 C ATOM 691 CD GLU A 377 10.769 -7.377 3.775 1.00 0.00 C ATOM 692 OE1 GLU A 377 11.612 -6.965 4.613 1.00 0.00 O ATOM 693 OE2 GLU A 377 11.009 -7.552 2.560 1.00 0.00 O ATOM 0 H GLU A 377 7.660 -8.246 6.671 1.00 0.00 H new ATOM 0 HA GLU A 377 10.355 -7.739 6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 377 7.931 -6.429 5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 377 9.499 -5.675 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 377 9.204 -8.636 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 377 8.625 -7.475 3.428 1.00 0.00 H new ATOM 700 N ALA A 378 10.887 -5.289 7.295 1.00 0.00 N ATOM 701 CA ALA A 378 11.462 -4.142 7.996 1.00 0.00 C ATOM 702 C ALA A 378 10.371 -3.143 8.378 1.00 0.00 C ATOM 703 O ALA A 378 10.335 -2.672 9.512 1.00 0.00 O ATOM 704 CB ALA A 378 12.557 -3.499 7.138 1.00 0.00 C ATOM 0 H ALA A 378 11.408 -5.532 6.452 1.00 0.00 H new ATOM 0 HA ALA A 378 11.924 -4.481 8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 378 12.980 -2.645 7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 378 13.342 -4.230 6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 378 12.129 -3.164 6.193 1.00 0.00 H new ATOM 710 N CYS A 379 9.525 -2.810 7.402 1.00 0.00 N ATOM 711 CA CYS A 379 8.198 -2.261 7.600 1.00 0.00 C ATOM 712 C CYS A 379 7.317 -2.863 6.493 1.00 0.00 C ATOM 713 O CYS A 379 7.854 -3.131 5.411 1.00 0.00 O ATOM 714 CB CYS A 379 8.183 -0.738 7.444 1.00 0.00 C ATOM 715 SG CYS A 379 9.255 0.182 8.578 1.00 0.00 S ATOM 0 H CYS A 379 9.762 -2.923 6.416 1.00 0.00 H new ATOM 0 HA CYS A 379 7.849 -2.497 8.605 1.00 0.00 H new ATOM 0 HB2 CYS A 379 8.472 -0.494 6.422 1.00 0.00 H new ATOM 0 HB3 CYS A 379 7.159 -0.388 7.578 1.00 0.00 H new ATOM 0 HG CYS A 379 9.977 -0.652 9.265 1.00 0.00 H new ATOM 721 N PRO A 380 5.988 -2.982 6.690 1.00 0.00 N ATOM 722 CA PRO A 380 5.047 -3.346 5.637 1.00 0.00 C ATOM 723 C PRO A 380 5.130 -2.342 4.499 1.00 0.00 C ATOM 724 O PRO A 380 5.745 -2.666 3.497 1.00 0.00 O ATOM 725 CB PRO A 380 3.673 -3.468 6.303 1.00 0.00 C ATOM 726 CG PRO A 380 3.798 -2.616 7.565 1.00 0.00 C ATOM 727 CD PRO A 380 5.277 -2.734 7.936 1.00 0.00 C ATOM 0 HA PRO A 380 5.274 -4.303 5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 380 2.880 -3.102 5.651 1.00 0.00 H new ATOM 0 HB3 PRO A 380 3.436 -4.505 6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 380 3.513 -1.580 7.379 1.00 0.00 H new ATOM 0 HG3 PRO A 380 3.154 -2.985 8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 380 5.633 -1.821 8.413 1.00 0.00 H new ATOM 0 HD3 PRO A 380 5.437 -3.547 8.644 1.00 0.00 H new ATOM 735 N VAL A 381 4.491 -1.176 4.592 1.00 0.00 N ATOM 736 CA VAL A 381 4.323 -0.231 3.489 1.00 0.00 C ATOM 737 C VAL A 381 5.582 -0.051 2.612 1.00 0.00 C ATOM 738 O VAL A 381 5.479 -0.094 1.387 1.00 0.00 O ATOM 739 CB VAL A 381 3.656 1.049 4.020 1.00 0.00 C ATOM 740 CG1 VAL A 381 3.539 2.163 2.973 1.00 0.00 C ATOM 741 CG2 VAL A 381 2.237 0.713 4.497 1.00 0.00 C ATOM 0 H VAL A 381 4.064 -0.854 5.461 1.00 0.00 H new ATOM 0 HA VAL A 381 3.637 -0.650 2.753 1.00 0.00 H new ATOM 0 HB VAL A 381 4.293 1.414 4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 381 3.059 3.034 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 381 4.533 2.438 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 381 2.941 1.811 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 381 1.757 1.616 4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 381 1.658 0.316 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 381 2.287 -0.031 5.292 1.00 0.00 H new ATOM 751 N ARG A 382 6.791 0.028 3.164 1.00 0.00 N ATOM 752 CA ARG A 382 8.014 0.108 2.361 1.00 0.00 C ATOM 753 C ARG A 382 8.202 -1.128 1.475 1.00 0.00 C ATOM 754 O ARG A 382 8.327 -0.949 0.255 1.00 0.00 O ATOM 755 CB ARG A 382 9.216 0.409 3.276 1.00 0.00 C ATOM 756 CG ARG A 382 9.228 1.904 3.672 1.00 0.00 C ATOM 757 CD ARG A 382 9.780 2.186 5.077 1.00 0.00 C ATOM 758 NE ARG A 382 11.209 2.531 5.116 1.00 0.00 N ATOM 759 CZ ARG A 382 12.079 2.189 6.068 1.00 0.00 C ATOM 760 NH1 ARG A 382 11.807 1.232 6.955 1.00 0.00 N ATOM 761 NH2 ARG A 382 13.231 2.846 6.119 1.00 0.00 N ATOM 0 H ARG A 382 6.952 0.038 4.171 1.00 0.00 H new ATOM 0 HA ARG A 382 7.929 0.937 1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 382 9.165 -0.211 4.171 1.00 0.00 H new ATOM 0 HB3 ARG A 382 10.144 0.154 2.764 1.00 0.00 H new ATOM 0 HG2 ARG A 382 9.824 2.455 2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 382 8.211 2.291 3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 382 9.210 3.003 5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 382 9.615 1.308 5.701 1.00 0.00 H new ATOM 0 HE ARG A 382 11.570 3.086 4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 382 10.914 0.740 6.917 1.00 0.00 H new ATOM 0 HH12 ARG A 382 12.492 0.992 7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 382 13.427 3.585 5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 382 13.920 2.612 6.833 1.00 0.00 H new ATOM 775 N ALA A 383 8.233 -2.346 2.034 1.00 0.00 N ATOM 776 CA ALA A 383 8.421 -3.554 1.224 1.00 0.00 C ATOM 777 C ALA A 383 7.126 -4.030 0.542 1.00 0.00 C ATOM 778 O ALA A 383 7.172 -4.747 -0.456 1.00 0.00 O ATOM 779 CB ALA A 383 8.921 -4.676 2.141 1.00 0.00 C ATOM 0 H ALA A 383 8.131 -2.518 3.034 1.00 0.00 H new ATOM 0 HA ALA A 383 9.136 -3.312 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 383 9.067 -5.585 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 383 9.867 -4.380 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 383 8.185 -4.862 2.923 1.00 0.00 H new ATOM 785 N LEU A 384 5.980 -3.485 0.936 1.00 0.00 N ATOM 786 CA LEU A 384 4.658 -3.714 0.369 1.00 0.00 C ATOM 787 C LEU A 384 4.623 -3.060 -0.991 1.00 0.00 C ATOM 788 O LEU A 384 4.283 -3.686 -1.983 1.00 0.00 O ATOM 789 CB LEU A 384 3.624 -3.066 1.296 1.00 0.00 C ATOM 790 CG LEU A 384 2.146 -3.172 0.905 1.00 0.00 C ATOM 791 CD1 LEU A 384 1.715 -4.637 0.992 1.00 0.00 C ATOM 792 CD2 LEU A 384 1.343 -2.333 1.897 1.00 0.00 C ATOM 0 H LEU A 384 5.950 -2.826 1.714 1.00 0.00 H new ATOM 0 HA LEU A 384 4.438 -4.777 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 384 3.740 -3.506 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 384 3.871 -2.008 1.386 1.00 0.00 H new ATOM 0 HG LEU A 384 1.980 -2.813 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 384 0.664 -4.724 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 384 2.320 -5.235 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 384 1.853 -4.997 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 384 0.284 -2.387 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 384 1.497 -2.716 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 384 1.675 -1.296 1.848 1.00 0.00 H new ATOM 804 N LEU A 385 5.056 -1.805 -1.039 1.00 0.00 N ATOM 805 CA LEU A 385 5.072 -0.993 -2.238 1.00 0.00 C ATOM 806 C LEU A 385 6.267 -1.376 -3.115 1.00 0.00 C ATOM 807 O LEU A 385 6.283 -1.031 -4.296 1.00 0.00 O ATOM 808 CB LEU A 385 5.131 0.481 -1.822 1.00 0.00 C ATOM 809 CG LEU A 385 3.914 0.961 -0.997 1.00 0.00 C ATOM 810 CD1 LEU A 385 4.202 2.360 -0.444 1.00 0.00 C ATOM 811 CD2 LEU A 385 2.615 0.935 -1.790 1.00 0.00 C ATOM 0 H LEU A 385 5.414 -1.316 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 385 4.170 -1.161 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 385 6.037 0.645 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 385 5.212 1.096 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 385 3.769 0.264 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 385 3.347 2.704 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 385 5.085 2.324 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 385 4.378 3.049 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 385 1.797 1.282 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 385 2.706 1.587 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 385 2.411 -0.083 -2.121 1.00 0.00 H new ATOM 823 N ALA A 386 7.287 -2.050 -2.564 1.00 0.00 N ATOM 824 CA ALA A 386 8.298 -2.722 -3.375 1.00 0.00 C ATOM 825 C ALA A 386 7.732 -3.969 -4.073 1.00 0.00 C ATOM 826 O ALA A 386 8.038 -4.181 -5.241 1.00 0.00 O ATOM 827 CB ALA A 386 9.508 -3.099 -2.511 1.00 0.00 C ATOM 0 H ALA A 386 7.429 -2.141 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 386 8.615 -2.025 -4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 386 10.254 -3.599 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 386 9.941 -2.197 -2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 386 9.190 -3.769 -1.712 1.00 0.00 H new ATOM 833 N SER A 387 6.906 -4.765 -3.389 1.00 0.00 N ATOM 834 CA SER A 387 6.503 -6.101 -3.825 1.00 0.00 C ATOM 835 C SER A 387 5.255 -6.017 -4.709 1.00 0.00 C ATOM 836 O SER A 387 5.233 -6.569 -5.808 1.00 0.00 O ATOM 837 CB SER A 387 6.274 -6.952 -2.568 1.00 0.00 C ATOM 838 OG SER A 387 6.048 -8.317 -2.856 1.00 0.00 O ATOM 0 H SER A 387 6.491 -4.491 -2.498 1.00 0.00 H new ATOM 0 HA SER A 387 7.278 -6.568 -4.433 1.00 0.00 H new ATOM 0 HB2 SER A 387 7.141 -6.864 -1.914 1.00 0.00 H new ATOM 0 HB3 SER A 387 5.419 -6.556 -2.019 1.00 0.00 H new ATOM 0 HG SER A 387 5.911 -8.809 -2.020 1.00 0.00 H new ATOM 844 N TRP A 388 4.230 -5.286 -4.261 1.00 0.00 N ATOM 845 CA TRP A 388 2.981 -5.064 -4.980 1.00 0.00 C ATOM 846 C TRP A 388 3.214 -4.537 -6.397 1.00 0.00 C ATOM 847 O TRP A 388 2.423 -4.826 -7.286 1.00 0.00 O ATOM 848 CB TRP A 388 2.117 -4.073 -4.196 1.00 0.00 C ATOM 849 CG TRP A 388 0.797 -3.821 -4.839 1.00 0.00 C ATOM 850 CD1 TRP A 388 -0.164 -4.751 -5.030 1.00 0.00 C ATOM 851 CD2 TRP A 388 0.328 -2.622 -5.518 1.00 0.00 C ATOM 852 NE1 TRP A 388 -1.196 -4.215 -5.765 1.00 0.00 N ATOM 853 CE2 TRP A 388 -0.975 -2.894 -6.029 1.00 0.00 C ATOM 854 CE3 TRP A 388 0.879 -1.353 -5.800 1.00 0.00 C ATOM 855 CZ2 TRP A 388 -1.748 -1.942 -6.683 1.00 0.00 C ATOM 856 CZ3 TRP A 388 0.111 -0.395 -6.487 1.00 0.00 C ATOM 857 CH2 TRP A 388 -1.197 -0.678 -6.878 1.00 0.00 C ATOM 0 H TRP A 388 4.252 -4.818 -3.355 1.00 0.00 H new ATOM 0 HA TRP A 388 2.473 -6.024 -5.070 1.00 0.00 H new ATOM 0 HB2 TRP A 388 1.957 -4.456 -3.188 1.00 0.00 H new ATOM 0 HB3 TRP A 388 2.654 -3.129 -4.097 1.00 0.00 H new ATOM 0 HD1 TRP A 388 -0.128 -5.765 -4.660 1.00 0.00 H new ATOM 0 HE1 TRP A 388 -2.018 -4.736 -6.072 1.00 0.00 H new ATOM 0 HE3 TRP A 388 1.886 -1.119 -5.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 388 -2.744 -2.175 -7.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 388 0.539 0.570 -6.714 1.00 0.00 H new ATOM 0 HH2 TRP A 388 -1.793 0.096 -7.340 1.00 0.00 H new ATOM 868 N GLY A 389 4.310 -3.810 -6.636 1.00 0.00 N ATOM 869 CA GLY A 389 4.657 -3.296 -7.952 1.00 0.00 C ATOM 870 C GLY A 389 4.943 -4.377 -9.000 1.00 0.00 C ATOM 871 O GLY A 389 5.154 -4.028 -10.158 1.00 0.00 O ATOM 0 H GLY A 389 4.983 -3.563 -5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 389 3.841 -2.668 -8.310 1.00 0.00 H new ATOM 0 HA3 GLY A 389 5.535 -2.657 -7.859 1.00 0.00 H new ATOM 875 N ALA A 390 4.978 -5.659 -8.617 1.00 0.00 N ATOM 876 CA ALA A 390 5.043 -6.792 -9.532 1.00 0.00 C ATOM 877 C ALA A 390 3.652 -7.319 -9.928 1.00 0.00 C ATOM 878 O ALA A 390 3.578 -8.240 -10.742 1.00 0.00 O ATOM 879 CB ALA A 390 5.871 -7.906 -8.879 1.00 0.00 C ATOM 0 H ALA A 390 4.961 -5.938 -7.636 1.00 0.00 H new ATOM 0 HA ALA A 390 5.516 -6.454 -10.454 1.00 0.00 H new ATOM 0 HB1 ALA A 390 5.928 -8.760 -9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 390 6.876 -7.539 -8.673 1.00 0.00 H new ATOM 0 HB3 ALA A 390 5.398 -8.211 -7.946 1.00 0.00 H new ATOM 885 N GLN A 391 2.558 -6.807 -9.350 1.00 0.00 N ATOM 886 CA GLN A 391 1.215 -7.093 -9.839 1.00 0.00 C ATOM 887 C GLN A 391 0.964 -6.299 -11.131 1.00 0.00 C ATOM 888 O GLN A 391 1.606 -5.280 -11.384 1.00 0.00 O ATOM 889 CB GLN A 391 0.153 -6.783 -8.764 1.00 0.00 C ATOM 890 CG GLN A 391 0.159 -7.759 -7.582 1.00 0.00 C ATOM 891 CD GLN A 391 -1.019 -7.498 -6.639 1.00 0.00 C ATOM 892 OE1 GLN A 391 -1.950 -6.755 -6.942 1.00 0.00 O ATOM 893 NE2 GLN A 391 -0.995 -8.076 -5.453 1.00 0.00 N ATOM 0 H GLN A 391 2.584 -6.190 -8.539 1.00 0.00 H new ATOM 0 HA GLN A 391 1.134 -8.157 -10.062 1.00 0.00 H new ATOM 0 HB2 GLN A 391 0.315 -5.773 -8.388 1.00 0.00 H new ATOM 0 HB3 GLN A 391 -0.833 -6.796 -9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 391 0.111 -8.783 -7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 391 1.096 -7.663 -7.033 1.00 0.00 H new ATOM 0 HE21 GLN A 391 -0.222 -8.693 -5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 391 -1.749 -7.906 -4.788 1.00 0.00 H new ATOM 902 N ASP A 392 -0.028 -6.750 -11.903 1.00 0.00 N ATOM 903 CA ASP A 392 -0.296 -6.406 -13.306 1.00 0.00 C ATOM 904 C ASP A 392 -0.278 -4.902 -13.584 1.00 0.00 C ATOM 905 O ASP A 392 0.544 -4.414 -14.357 1.00 0.00 O ATOM 906 CB ASP A 392 -1.662 -7.014 -13.669 1.00 0.00 C ATOM 907 CG ASP A 392 -2.203 -6.510 -15.009 1.00 0.00 C ATOM 908 OD1 ASP A 392 -1.790 -7.059 -16.051 1.00 0.00 O ATOM 909 OD2 ASP A 392 -3.060 -5.596 -14.953 1.00 0.00 O ATOM 0 H ASP A 392 -0.714 -7.412 -11.541 1.00 0.00 H new ATOM 0 HA ASP A 392 0.503 -6.814 -13.925 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -1.572 -8.100 -13.705 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -2.379 -6.779 -12.882 1.00 0.00 H new ATOM 914 N SER A 393 -1.161 -4.158 -12.927 1.00 0.00 N ATOM 915 CA SER A 393 -1.414 -2.752 -13.199 1.00 0.00 C ATOM 916 C SER A 393 -1.276 -1.936 -11.913 1.00 0.00 C ATOM 917 O SER A 393 -2.096 -1.057 -11.629 1.00 0.00 O ATOM 918 CB SER A 393 -2.742 -2.626 -13.968 1.00 0.00 C ATOM 919 OG SER A 393 -3.728 -3.532 -13.506 1.00 0.00 O ATOM 0 H SER A 393 -1.735 -4.529 -12.170 1.00 0.00 H new ATOM 0 HA SER A 393 -0.666 -2.313 -13.859 1.00 0.00 H new ATOM 0 HB2 SER A 393 -3.117 -1.607 -13.873 1.00 0.00 H new ATOM 0 HB3 SER A 393 -2.561 -2.801 -15.029 1.00 0.00 H new ATOM 0 HG SER A 393 -3.770 -4.304 -14.108 1.00 0.00 H new ATOM 925 N ALA A 394 -0.211 -2.231 -11.148 1.00 0.00 N ATOM 926 CA ALA A 394 0.172 -1.672 -9.847 1.00 0.00 C ATOM 927 C ALA A 394 0.557 -0.174 -9.902 1.00 0.00 C ATOM 928 O ALA A 394 1.625 0.275 -9.465 1.00 0.00 O ATOM 929 CB ALA A 394 1.279 -2.553 -9.260 1.00 0.00 C ATOM 0 H ALA A 394 0.463 -2.932 -11.456 1.00 0.00 H new ATOM 0 HA ALA A 394 -0.696 -1.686 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA A 394 1.582 -2.158 -8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 394 0.908 -3.570 -9.137 1.00 0.00 H new ATOM 0 HB3 ALA A 394 2.136 -2.558 -9.934 1.00 0.00 H new ATOM 935 N THR A 395 -0.344 0.620 -10.463 1.00 0.00 N ATOM 936 CA THR A 395 -0.300 2.059 -10.595 1.00 0.00 C ATOM 937 C THR A 395 -0.448 2.706 -9.216 1.00 0.00 C ATOM 938 O THR A 395 -1.001 2.095 -8.302 1.00 0.00 O ATOM 939 CB THR A 395 -1.358 2.485 -11.627 1.00 0.00 C ATOM 940 OG1 THR A 395 -2.618 1.895 -11.381 1.00 0.00 O ATOM 941 CG2 THR A 395 -0.925 2.130 -13.054 1.00 0.00 C ATOM 0 H THR A 395 -1.196 0.235 -10.871 1.00 0.00 H new ATOM 0 HA THR A 395 0.661 2.408 -10.974 1.00 0.00 H new ATOM 0 HB THR A 395 -1.450 3.567 -11.527 1.00 0.00 H new ATOM 0 HG1 THR A 395 -3.258 2.195 -12.060 1.00 0.00 H new ATOM 0 HG21 THR A 395 -1.696 2.445 -13.757 1.00 0.00 H new ATOM 0 HG22 THR A 395 0.010 2.640 -13.288 1.00 0.00 H new ATOM 0 HG23 THR A 395 -0.781 1.053 -13.133 1.00 0.00 H new ATOM 949 N LEU A 396 -0.024 3.965 -9.045 1.00 0.00 N ATOM 950 CA LEU A 396 -0.463 4.732 -7.875 1.00 0.00 C ATOM 951 C LEU A 396 -1.998 4.688 -7.864 1.00 0.00 C ATOM 952 O LEU A 396 -2.610 4.470 -6.824 1.00 0.00 O ATOM 953 CB LEU A 396 0.069 6.182 -7.927 1.00 0.00 C ATOM 954 CG LEU A 396 0.186 6.925 -6.571 1.00 0.00 C ATOM 955 CD1 LEU A 396 -0.990 6.744 -5.606 1.00 0.00 C ATOM 956 CD2 LEU A 396 1.470 6.539 -5.827 1.00 0.00 C ATOM 0 H LEU A 396 0.602 4.460 -9.680 1.00 0.00 H new ATOM 0 HA LEU A 396 -0.066 4.301 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 396 1.054 6.168 -8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 396 -0.585 6.762 -8.579 1.00 0.00 H new ATOM 0 HG LEU A 396 0.193 7.974 -6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 396 -0.801 7.307 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 396 -1.904 7.109 -6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 396 -1.103 5.687 -5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 396 1.519 7.079 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 396 1.470 5.466 -5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 396 2.336 6.797 -6.437 1.00 0.00 H new ATOM 968 N ASP A 397 -2.601 4.771 -9.052 1.00 0.00 N ATOM 969 CA ASP A 397 -4.029 4.897 -9.294 1.00 0.00 C ATOM 970 C ASP A 397 -4.787 3.619 -8.915 1.00 0.00 C ATOM 971 O ASP A 397 -5.957 3.687 -8.544 1.00 0.00 O ATOM 972 CB ASP A 397 -4.290 5.164 -10.797 1.00 0.00 C ATOM 973 CG ASP A 397 -3.335 6.131 -11.514 1.00 0.00 C ATOM 974 OD1 ASP A 397 -2.094 5.946 -11.444 1.00 0.00 O ATOM 975 OD2 ASP A 397 -3.789 7.007 -12.281 1.00 0.00 O ATOM 0 H ASP A 397 -2.067 4.750 -9.921 1.00 0.00 H new ATOM 0 HA ASP A 397 -4.382 5.724 -8.678 1.00 0.00 H new ATOM 0 HB2 ASP A 397 -4.259 4.208 -11.320 1.00 0.00 H new ATOM 0 HB3 ASP A 397 -5.304 5.551 -10.900 1.00 0.00 H new ATOM 980 N ALA A 398 -4.099 2.475 -8.865 1.00 0.00 N ATOM 981 CA ALA A 398 -4.661 1.197 -8.448 1.00 0.00 C ATOM 982 C ALA A 398 -4.731 1.171 -6.928 1.00 0.00 C ATOM 983 O ALA A 398 -5.768 0.820 -6.369 1.00 0.00 O ATOM 984 CB ALA A 398 -3.828 0.010 -8.969 1.00 0.00 C ATOM 0 H ALA A 398 -3.113 2.415 -9.120 1.00 0.00 H new ATOM 0 HA ALA A 398 -5.660 1.095 -8.873 1.00 0.00 H new ATOM 0 HB1 ALA A 398 -4.279 -0.925 -8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 398 -3.802 0.034 -10.058 1.00 0.00 H new ATOM 0 HB3 ALA A 398 -2.812 0.080 -8.581 1.00 0.00 H new ATOM 990 N LEU A 399 -3.648 1.555 -6.247 1.00 0.00 N ATOM 991 CA LEU A 399 -3.616 1.567 -4.788 1.00 0.00 C ATOM 992 C LEU A 399 -4.570 2.630 -4.248 1.00 0.00 C ATOM 993 O LEU A 399 -5.263 2.410 -3.256 1.00 0.00 O ATOM 994 CB LEU A 399 -2.176 1.782 -4.302 1.00 0.00 C ATOM 995 CG LEU A 399 -2.037 1.490 -2.797 1.00 0.00 C ATOM 996 CD1 LEU A 399 -0.666 0.878 -2.500 1.00 0.00 C ATOM 997 CD2 LEU A 399 -2.177 2.748 -1.939 1.00 0.00 C ATOM 0 H LEU A 399 -2.781 1.862 -6.687 1.00 0.00 H new ATOM 0 HA LEU A 399 -3.955 0.604 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 399 -1.502 1.135 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 399 -1.873 2.809 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 399 -2.842 0.799 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 399 -0.581 0.677 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 399 -0.555 -0.054 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 399 0.116 1.575 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 399 -2.071 2.484 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 399 -1.402 3.464 -2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 399 -3.158 3.194 -2.104 1.00 0.00 H new ATOM 1009 N LEU A 400 -4.634 3.769 -4.933 1.00 0.00 N ATOM 1010 CA LEU A 400 -5.532 4.878 -4.672 1.00 0.00 C ATOM 1011 C LEU A 400 -6.981 4.392 -4.762 1.00 0.00 C ATOM 1012 O LEU A 400 -7.787 4.675 -3.875 1.00 0.00 O ATOM 1013 CB LEU A 400 -5.196 5.956 -5.733 1.00 0.00 C ATOM 1014 CG LEU A 400 -6.284 6.974 -6.138 1.00 0.00 C ATOM 1015 CD1 LEU A 400 -5.643 8.351 -6.380 1.00 0.00 C ATOM 1016 CD2 LEU A 400 -7.059 6.625 -7.417 1.00 0.00 C ATOM 0 H LEU A 400 -4.023 3.947 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 400 -5.412 5.296 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 400 -4.337 6.520 -5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 400 -4.877 5.439 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 400 -6.989 6.964 -5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 400 -6.414 9.066 -6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 400 -5.154 8.690 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 400 -4.906 8.274 -7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 400 -7.799 7.400 -7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 400 -6.366 6.560 -8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 400 -7.562 5.667 -7.287 1.00 0.00 H new ATOM 1028 N ALA A 401 -7.320 3.641 -5.814 1.00 0.00 N ATOM 1029 CA ALA A 401 -8.651 3.079 -5.974 1.00 0.00 C ATOM 1030 C ALA A 401 -8.929 2.065 -4.872 1.00 0.00 C ATOM 1031 O ALA A 401 -10.006 2.087 -4.277 1.00 0.00 O ATOM 1032 CB ALA A 401 -8.774 2.408 -7.340 1.00 0.00 C ATOM 0 H ALA A 401 -6.678 3.410 -6.572 1.00 0.00 H new ATOM 0 HA ALA A 401 -9.382 3.884 -5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -9.774 1.990 -7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -8.599 3.145 -8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 401 -8.036 1.610 -7.421 1.00 0.00 H new ATOM 1038 N ALA A 402 -7.965 1.181 -4.608 1.00 0.00 N ATOM 1039 CA ALA A 402 -8.082 0.129 -3.621 1.00 0.00 C ATOM 1040 C ALA A 402 -8.376 0.713 -2.244 1.00 0.00 C ATOM 1041 O ALA A 402 -9.304 0.257 -1.589 1.00 0.00 O ATOM 1042 CB ALA A 402 -6.842 -0.760 -3.647 1.00 0.00 C ATOM 0 H ALA A 402 -7.066 1.185 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 402 -8.930 -0.509 -3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 402 -6.943 -1.547 -2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 402 -6.737 -1.209 -4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 402 -5.959 -0.160 -3.425 1.00 0.00 H new ATOM 1048 N LEU A 403 -7.675 1.774 -1.839 1.00 0.00 N ATOM 1049 CA LEU A 403 -7.981 2.510 -0.612 1.00 0.00 C ATOM 1050 C LEU A 403 -9.413 3.016 -0.584 1.00 0.00 C ATOM 1051 O LEU A 403 -10.098 2.946 0.439 1.00 0.00 O ATOM 1052 CB LEU A 403 -7.081 3.744 -0.517 1.00 0.00 C ATOM 1053 CG LEU A 403 -5.762 3.552 0.221 1.00 0.00 C ATOM 1054 CD1 LEU A 403 -4.921 4.800 -0.073 1.00 0.00 C ATOM 1055 CD2 LEU A 403 -6.030 3.383 1.723 1.00 0.00 C ATOM 0 H LEU A 403 -6.878 2.147 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 403 -7.823 1.817 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -6.862 4.089 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -7.639 4.539 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 403 -5.232 2.657 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -3.959 4.718 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -4.760 4.885 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -5.446 5.685 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -5.085 3.246 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -6.532 4.272 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -6.664 2.511 1.884 1.00 0.00 H new ATOM 1067 N ARG A 404 -9.844 3.602 -1.697 1.00 0.00 N ATOM 1068 CA ARG A 404 -11.132 4.258 -1.782 1.00 0.00 C ATOM 1069 C ARG A 404 -12.245 3.215 -1.595 1.00 0.00 C ATOM 1070 O ARG A 404 -13.289 3.590 -1.066 1.00 0.00 O ATOM 1071 CB ARG A 404 -11.162 5.096 -3.071 1.00 0.00 C ATOM 1072 CG ARG A 404 -12.402 5.990 -3.237 1.00 0.00 C ATOM 1073 CD ARG A 404 -12.014 7.372 -3.806 1.00 0.00 C ATOM 1074 NE ARG A 404 -11.327 8.211 -2.802 1.00 0.00 N ATOM 1075 CZ ARG A 404 -10.709 9.389 -2.999 1.00 0.00 C ATOM 1076 NH1 ARG A 404 -10.543 9.921 -4.203 1.00 0.00 N ATOM 1077 NH2 ARG A 404 -10.240 10.064 -1.968 1.00 0.00 N ATOM 0 H ARG A 404 -9.305 3.632 -2.563 1.00 0.00 H new ATOM 0 HA ARG A 404 -11.310 4.974 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 404 -10.273 5.726 -3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 404 -11.101 4.422 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 404 -13.117 5.506 -3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 404 -12.897 6.115 -2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 404 -11.365 7.238 -4.672 1.00 0.00 H new ATOM 0 HD3 ARG A 404 -12.910 7.885 -4.155 1.00 0.00 H new ATOM 0 HE ARG A 404 -11.321 7.854 -1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 404 -10.891 9.433 -5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 404 -10.067 10.818 -4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 404 -10.346 9.692 -1.024 1.00 0.00 H new ATOM 0 HH22 ARG A 404 -9.771 10.958 -2.114 1.00 0.00 H new ATOM 1091 N ARG A 405 -12.038 1.933 -1.954 1.00 0.00 N ATOM 1092 CA ARG A 405 -12.955 0.839 -1.635 1.00 0.00 C ATOM 1093 C ARG A 405 -13.284 0.805 -0.145 1.00 0.00 C ATOM 1094 O ARG A 405 -14.467 0.777 0.182 1.00 0.00 O ATOM 1095 CB ARG A 405 -12.384 -0.533 -2.025 1.00 0.00 C ATOM 1096 CG ARG A 405 -12.041 -0.752 -3.504 1.00 0.00 C ATOM 1097 CD ARG A 405 -11.224 -2.042 -3.704 1.00 0.00 C ATOM 1098 NE ARG A 405 -11.896 -3.108 -4.469 1.00 0.00 N ATOM 1099 CZ ARG A 405 -12.329 -4.258 -3.938 1.00 0.00 C ATOM 1100 NH1 ARG A 405 -12.758 -4.323 -2.692 1.00 0.00 N ATOM 1101 NH2 ARG A 405 -12.335 -5.367 -4.673 1.00 0.00 N ATOM 0 H ARG A 405 -11.217 1.632 -2.480 1.00 0.00 H new ATOM 0 HA ARG A 405 -13.857 1.032 -2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -11.480 -0.702 -1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -13.104 -1.296 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -12.960 -0.807 -4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -11.475 0.101 -3.878 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -10.293 -1.787 -4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -10.955 -2.437 -2.724 1.00 0.00 H new ATOM 0 HE ARG A 405 -12.040 -2.960 -5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 405 -12.765 -3.485 -2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 405 -13.083 -5.211 -2.310 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -12.010 -5.340 -5.639 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -12.665 -6.244 -4.270 1.00 0.00 H new ATOM 1115 N ILE A 406 -12.299 0.868 0.766 1.00 0.00 N ATOM 1116 CA ILE A 406 -12.594 0.750 2.196 1.00 0.00 C ATOM 1117 C ILE A 406 -12.907 2.124 2.801 1.00 0.00 C ATOM 1118 O ILE A 406 -12.743 2.323 4.002 1.00 0.00 O ATOM 1119 CB ILE A 406 -11.469 -0.003 2.945 1.00 0.00 C ATOM 1120 CG1 ILE A 406 -10.076 0.663 2.898 1.00 0.00 C ATOM 1121 CG2 ILE A 406 -11.427 -1.461 2.484 1.00 0.00 C ATOM 1122 CD1 ILE A 406 -9.063 0.101 1.894 1.00 0.00 C ATOM 0 H ILE A 406 -11.313 0.997 0.541 1.00 0.00 H new ATOM 0 HA ILE A 406 -13.491 0.143 2.317 1.00 0.00 H new ATOM 0 HB ILE A 406 -11.731 0.043 4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -10.215 1.722 2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -9.637 0.597 3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -10.633 -1.987 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -12.384 -1.938 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -11.234 -1.498 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -8.130 0.660 1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -8.875 -0.949 2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -9.463 0.192 0.884 1.00 0.00 H new ATOM 1134 N GLN A 407 -13.323 3.085 1.966 1.00 0.00 N ATOM 1135 CA GLN A 407 -13.565 4.492 2.253 1.00 0.00 C ATOM 1136 C GLN A 407 -12.425 5.198 3.000 1.00 0.00 C ATOM 1137 O GLN A 407 -12.644 6.280 3.552 1.00 0.00 O ATOM 1138 CB GLN A 407 -14.969 4.713 2.858 1.00 0.00 C ATOM 1139 CG GLN A 407 -15.117 4.415 4.365 1.00 0.00 C ATOM 1140 CD GLN A 407 -15.684 5.604 5.140 1.00 0.00 C ATOM 1141 OE1 GLN A 407 -16.806 5.576 5.628 1.00 0.00 O ATOM 1142 NE2 GLN A 407 -14.919 6.677 5.269 1.00 0.00 N ATOM 0 H GLN A 407 -13.514 2.871 0.987 1.00 0.00 H new ATOM 0 HA GLN A 407 -13.565 5.005 1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 407 -15.258 5.750 2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 407 -15.678 4.089 2.314 1.00 0.00 H new ATOM 0 HG2 GLN A 407 -15.769 3.552 4.500 1.00 0.00 H new ATOM 0 HG3 GLN A 407 -14.144 4.147 4.777 1.00 0.00 H new ATOM 0 HE21 GLN A 407 -13.985 6.690 4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 407 -15.263 7.491 5.779 1.00 0.00 H new ATOM 1151 N ARG A 408 -11.202 4.653 2.990 1.00 0.00 N ATOM 1152 CA ARG A 408 -10.011 5.322 3.535 1.00 0.00 C ATOM 1153 C ARG A 408 -9.498 6.332 2.502 1.00 0.00 C ATOM 1154 O ARG A 408 -8.393 6.239 1.970 1.00 0.00 O ATOM 1155 CB ARG A 408 -8.979 4.270 3.972 1.00 0.00 C ATOM 1156 CG ARG A 408 -9.513 3.375 5.111 1.00 0.00 C ATOM 1157 CD ARG A 408 -9.611 4.078 6.478 1.00 0.00 C ATOM 1158 NE ARG A 408 -8.782 3.429 7.511 1.00 0.00 N ATOM 1159 CZ ARG A 408 -9.025 2.308 8.207 1.00 0.00 C ATOM 1160 NH1 ARG A 408 -10.129 1.593 8.015 1.00 0.00 N ATOM 1161 NH2 ARG A 408 -8.117 1.921 9.089 1.00 0.00 N ATOM 0 H ARG A 408 -11.008 3.730 2.601 1.00 0.00 H new ATOM 0 HA ARG A 408 -10.243 5.891 4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 408 -8.711 3.648 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 408 -8.068 4.770 4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 408 -10.500 3.006 4.834 1.00 0.00 H new ATOM 0 HG3 ARG A 408 -8.863 2.505 5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 408 -9.302 5.118 6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 408 -10.651 4.086 6.804 1.00 0.00 H new ATOM 0 HE ARG A 408 -7.902 3.897 7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 408 -10.817 1.893 7.324 1.00 0.00 H new ATOM 0 HH12 ARG A 408 -10.288 0.745 8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 408 -7.268 2.470 9.221 1.00 0.00 H new ATOM 0 HH22 ARG A 408 -8.267 1.074 9.637 1.00 0.00 H new ATOM 1175 N ALA A 409 -10.395 7.245 2.134 1.00 0.00 N ATOM 1176 CA ALA A 409 -10.271 8.241 1.086 1.00 0.00 C ATOM 1177 C ALA A 409 -9.369 9.402 1.494 1.00 0.00 C ATOM 1178 O ALA A 409 -8.911 10.122 0.618 1.00 0.00 O ATOM 1179 CB ALA A 409 -11.691 8.742 0.782 1.00 0.00 C ATOM 0 H ALA A 409 -11.299 7.307 2.603 1.00 0.00 H new ATOM 0 HA ALA A 409 -9.806 7.796 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 409 -11.650 9.496 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 409 -12.309 7.907 0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 409 -12.123 9.179 1.682 1.00 0.00 H new ATOM 1185 N ASP A 410 -9.112 9.570 2.782 1.00 0.00 N ATOM 1186 CA ASP A 410 -8.195 10.534 3.368 1.00 0.00 C ATOM 1187 C ASP A 410 -6.768 10.290 2.889 1.00 0.00 C ATOM 1188 O ASP A 410 -6.114 11.221 2.414 1.00 0.00 O ATOM 1189 CB ASP A 410 -8.303 10.436 4.905 1.00 0.00 C ATOM 1190 CG ASP A 410 -7.979 9.032 5.449 1.00 0.00 C ATOM 1191 OD1 ASP A 410 -8.667 8.069 5.021 1.00 0.00 O ATOM 1192 OD2 ASP A 410 -7.026 8.917 6.242 1.00 0.00 O ATOM 0 H ASP A 410 -9.569 8.998 3.492 1.00 0.00 H new ATOM 0 HA ASP A 410 -8.462 11.542 3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 410 -7.624 11.159 5.357 1.00 0.00 H new ATOM 0 HB3 ASP A 410 -9.312 10.713 5.210 1.00 0.00 H new ATOM 1197 N ILE A 411 -6.292 9.043 2.937 1.00 0.00 N ATOM 1198 CA ILE A 411 -4.941 8.741 2.485 1.00 0.00 C ATOM 1199 C ILE A 411 -4.829 9.017 0.991 1.00 0.00 C ATOM 1200 O ILE A 411 -3.760 9.399 0.536 1.00 0.00 O ATOM 1201 CB ILE A 411 -4.535 7.282 2.796 1.00 0.00 C ATOM 1202 CG1 ILE A 411 -4.694 6.973 4.303 1.00 0.00 C ATOM 1203 CG2 ILE A 411 -3.104 7.023 2.275 1.00 0.00 C ATOM 1204 CD1 ILE A 411 -4.532 5.490 4.640 1.00 0.00 C ATOM 0 H ILE A 411 -6.818 8.239 3.280 1.00 0.00 H new ATOM 0 HA ILE A 411 -4.253 9.387 3.031 1.00 0.00 H new ATOM 0 HB ILE A 411 -5.203 6.595 2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 411 -3.957 7.548 4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 411 -5.678 7.308 4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 411 -2.818 5.994 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 411 -3.074 7.186 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 411 -2.409 7.705 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 411 -4.656 5.345 5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 411 -5.286 4.911 4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 411 -3.539 5.155 4.341 1.00 0.00 H new ATOM 1216 N VAL A 412 -5.887 8.787 0.220 1.00 0.00 N ATOM 1217 CA VAL A 412 -5.829 8.836 -1.228 1.00 0.00 C ATOM 1218 C VAL A 412 -5.428 10.233 -1.730 1.00 0.00 C ATOM 1219 O VAL A 412 -4.497 10.340 -2.527 1.00 0.00 O ATOM 1220 CB VAL A 412 -7.197 8.412 -1.791 1.00 0.00 C ATOM 1221 CG1 VAL A 412 -7.286 8.636 -3.293 1.00 0.00 C ATOM 1222 CG2 VAL A 412 -7.496 6.945 -1.484 1.00 0.00 C ATOM 0 H VAL A 412 -6.811 8.561 0.588 1.00 0.00 H new ATOM 0 HA VAL A 412 -5.061 8.147 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 412 -7.940 9.040 -1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 412 -8.267 8.324 -3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 412 -7.140 9.694 -3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 412 -6.515 8.051 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 412 -8.469 6.678 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 412 -6.728 6.315 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 412 -7.505 6.794 -0.405 1.00 0.00 H new ATOM 1232 N GLU A 413 -6.130 11.304 -1.343 1.00 0.00 N ATOM 1233 CA GLU A 413 -5.685 12.637 -1.763 1.00 0.00 C ATOM 1234 C GLU A 413 -4.283 12.945 -1.217 1.00 0.00 C ATOM 1235 O GLU A 413 -3.461 13.537 -1.919 1.00 0.00 O ATOM 1236 CB GLU A 413 -6.716 13.717 -1.404 1.00 0.00 C ATOM 1237 CG GLU A 413 -7.751 13.916 -2.527 1.00 0.00 C ATOM 1238 CD GLU A 413 -8.795 12.799 -2.610 1.00 0.00 C ATOM 1239 OE1 GLU A 413 -9.599 12.666 -1.667 1.00 0.00 O ATOM 1240 OE2 GLU A 413 -8.846 12.028 -3.598 1.00 0.00 O ATOM 0 H GLU A 413 -6.971 11.281 -0.766 1.00 0.00 H new ATOM 0 HA GLU A 413 -5.608 12.643 -2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -7.228 13.439 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -6.203 14.659 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -8.261 14.867 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -7.229 13.985 -3.481 1.00 0.00 H new ATOM 1247 N SER A 414 -3.966 12.487 -0.001 1.00 0.00 N ATOM 1248 CA SER A 414 -2.661 12.742 0.601 1.00 0.00 C ATOM 1249 C SER A 414 -1.545 11.983 -0.131 1.00 0.00 C ATOM 1250 O SER A 414 -0.382 12.393 -0.097 1.00 0.00 O ATOM 1251 CB SER A 414 -2.719 12.321 2.065 1.00 0.00 C ATOM 1252 OG SER A 414 -1.775 13.056 2.822 1.00 0.00 O ATOM 0 H SER A 414 -4.598 11.938 0.582 1.00 0.00 H new ATOM 0 HA SER A 414 -2.430 13.804 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 414 -3.721 12.487 2.460 1.00 0.00 H new ATOM 0 HB3 SER A 414 -2.515 11.254 2.153 1.00 0.00 H new ATOM 0 HG SER A 414 -2.104 13.164 3.739 1.00 0.00 H new ATOM 1258 N LEU A 415 -1.879 10.841 -0.731 1.00 0.00 N ATOM 1259 CA LEU A 415 -1.021 10.047 -1.599 1.00 0.00 C ATOM 1260 C LEU A 415 -0.531 10.869 -2.772 1.00 0.00 C ATOM 1261 O LEU A 415 0.671 10.836 -3.025 1.00 0.00 O ATOM 1262 CB LEU A 415 -1.719 8.783 -2.148 1.00 0.00 C ATOM 1263 CG LEU A 415 -1.376 7.462 -1.474 1.00 0.00 C ATOM 1264 CD1 LEU A 415 -2.152 6.302 -2.114 1.00 0.00 C ATOM 1265 CD2 LEU A 415 0.096 7.120 -1.643 1.00 0.00 C ATOM 0 H LEU A 415 -2.804 10.426 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 415 -0.184 9.732 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -2.796 8.931 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -1.480 8.696 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 415 -1.633 7.584 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -1.889 5.369 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -3.222 6.480 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -1.896 6.232 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 415 0.308 6.171 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 415 0.331 7.038 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 415 0.706 7.905 -1.196 1.00 0.00 H new