USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 637 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: S 471 THR OG1 : rot 65:sc= 0.953 USER MOD Set 1.2: S 472 GLN : amide:sc= -0.392 K(o=0.56,f=-6.3!) USER MOD Single : P 360 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 362 GLN : amide:sc= 0.0452 K(o=0.045,f=-5.9!) USER MOD Single : P 370 SER OG : rot 180:sc= 0 USER MOD Single : P 376 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 378 CYS SG : rot -32:sc= -7.73! USER MOD Single : P 379 SER OG : rot 180:sc= -0.0421 USER MOD Single : P 381 SER OG : rot 170:sc= -0.513 USER MOD Single : P 382 THR OG1 : rot -173:sc= -6.64! USER MOD Single : P 383 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.683) USER MOD Single : P 385 LYS NZ :NH3+ -146:sc= 1.23 (180deg=0.406) USER MOD Single : S 460 SER OG : rot 180:sc= -0.225 USER MOD Single : S 461 GLN : amide:sc= -0.032 K(o=-0.032,f=-1.5!) USER MOD Single : S 467 SER OG : rot 180:sc= -0.107 USER MOD Single : S 468 TYR OH : rot -174:sc= 0.878 USER MOD Single : S 479 GLN : amide:sc=-0.00692 X(o=-0.0069,f=0) USER MOD Single : S 488 SER OG : rot 180:sc= 0 USER MOD Single : S 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 491 ASN :FLIP amide:sc= -10.9! C(o=-18!,f=-11!) USER MOD Single : S 499 SER OG : rot 180:sc= -1.21 USER MOD Single : S 500 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 502 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 508 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.00975) USER MOD ----------------------------------------------------------------- ATOM 90 N SER S 460 -3.911 -10.071 2.456 1.00 0.00 N ATOM 91 CA SER S 460 -5.079 -10.246 1.601 1.00 0.00 C ATOM 92 C SER S 460 -4.845 -9.597 0.238 1.00 0.00 C ATOM 93 O SER S 460 -3.702 -9.350 -0.147 1.00 0.00 O ATOM 94 CB SER S 460 -6.315 -9.647 2.273 1.00 0.00 C ATOM 95 OG SER S 460 -6.473 -8.278 1.936 1.00 0.00 O ATOM 0 HA SER S 460 -5.245 -11.312 1.449 1.00 0.00 H new ATOM 0 HB2 SER S 460 -7.202 -10.203 1.969 1.00 0.00 H new ATOM 0 HB3 SER S 460 -6.229 -9.750 3.355 1.00 0.00 H new ATOM 0 HG SER S 460 -7.272 -7.922 2.379 1.00 0.00 H new ATOM 101 N GLN S 461 -5.924 -9.319 -0.493 1.00 0.00 N ATOM 102 CA GLN S 461 -5.797 -8.700 -1.810 1.00 0.00 C ATOM 103 C GLN S 461 -6.966 -7.770 -2.111 1.00 0.00 C ATOM 104 O GLN S 461 -8.031 -7.865 -1.501 1.00 0.00 O ATOM 105 CB GLN S 461 -5.702 -9.763 -2.906 1.00 0.00 C ATOM 106 CG GLN S 461 -5.055 -11.064 -2.450 1.00 0.00 C ATOM 107 CD GLN S 461 -4.681 -11.967 -3.610 1.00 0.00 C ATOM 108 OE1 GLN S 461 -4.664 -11.538 -4.764 1.00 0.00 O ATOM 109 NE2 GLN S 461 -4.380 -13.224 -3.307 1.00 0.00 N ATOM 0 H GLN S 461 -6.882 -9.510 -0.200 1.00 0.00 H new ATOM 0 HA GLN S 461 -4.880 -8.111 -1.796 1.00 0.00 H new ATOM 0 HB2 GLN S 461 -6.704 -9.978 -3.278 1.00 0.00 H new ATOM 0 HB3 GLN S 461 -5.132 -9.359 -3.742 1.00 0.00 H new ATOM 0 HG2 GLN S 461 -4.162 -10.837 -1.868 1.00 0.00 H new ATOM 0 HG3 GLN S 461 -5.740 -11.594 -1.788 1.00 0.00 H new ATOM 0 HE21 GLN S 461 -4.408 -13.535 -2.336 1.00 0.00 H new ATOM 0 HE22 GLN S 461 -4.121 -13.879 -4.045 1.00 0.00 H new ATOM 118 N VAL S 462 -6.747 -6.872 -3.066 1.00 0.00 N ATOM 119 CA VAL S 462 -7.762 -5.912 -3.478 1.00 0.00 C ATOM 120 C VAL S 462 -7.443 -5.355 -4.861 1.00 0.00 C ATOM 121 O VAL S 462 -6.407 -4.719 -5.057 1.00 0.00 O ATOM 122 CB VAL S 462 -7.860 -4.743 -2.483 1.00 0.00 C ATOM 123 CG1 VAL S 462 -8.521 -5.193 -1.189 1.00 0.00 C ATOM 124 CG2 VAL S 462 -6.478 -4.167 -2.214 1.00 0.00 C ATOM 0 H VAL S 462 -5.866 -6.790 -3.573 1.00 0.00 H new ATOM 0 HA VAL S 462 -8.715 -6.440 -3.504 1.00 0.00 H new ATOM 0 HB VAL S 462 -8.480 -3.962 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL S 462 -8.581 -4.351 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL S 462 -9.525 -5.560 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL S 462 -7.932 -5.991 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL S 462 -6.559 -3.340 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL S 462 -5.837 -4.941 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL S 462 -6.046 -3.806 -3.148 1.00 0.00 H new ATOM 134 N GLU S 463 -8.332 -5.593 -5.822 1.00 0.00 N ATOM 135 CA GLU S 463 -8.125 -5.107 -7.183 1.00 0.00 C ATOM 136 C GLU S 463 -7.904 -3.595 -7.188 1.00 0.00 C ATOM 137 O GLU S 463 -8.393 -2.885 -6.310 1.00 0.00 O ATOM 138 CB GLU S 463 -9.317 -5.480 -8.074 1.00 0.00 C ATOM 139 CG GLU S 463 -10.428 -4.438 -8.096 1.00 0.00 C ATOM 140 CD GLU S 463 -11.747 -5.002 -8.587 1.00 0.00 C ATOM 141 OE1 GLU S 463 -11.733 -5.796 -9.552 1.00 0.00 O ATOM 142 OE2 GLU S 463 -12.795 -4.648 -8.006 1.00 0.00 O ATOM 0 H GLU S 463 -9.197 -6.116 -5.685 1.00 0.00 H new ATOM 0 HA GLU S 463 -7.231 -5.584 -7.585 1.00 0.00 H new ATOM 0 HB2 GLU S 463 -8.961 -5.637 -9.092 1.00 0.00 H new ATOM 0 HB3 GLU S 463 -9.730 -6.429 -7.731 1.00 0.00 H new ATOM 0 HG2 GLU S 463 -10.561 -4.033 -7.093 1.00 0.00 H new ATOM 0 HG3 GLU S 463 -10.130 -3.609 -8.738 1.00 0.00 H new ATOM 149 N ALA S 464 -7.174 -3.110 -8.184 1.00 0.00 N ATOM 150 CA ALA S 464 -6.899 -1.687 -8.301 1.00 0.00 C ATOM 151 C ALA S 464 -7.969 -1.005 -9.144 1.00 0.00 C ATOM 152 O ALA S 464 -8.600 -1.637 -9.990 1.00 0.00 O ATOM 153 CB ALA S 464 -5.519 -1.455 -8.897 1.00 0.00 C ATOM 0 H ALA S 464 -6.763 -3.682 -8.921 1.00 0.00 H new ATOM 0 HA ALA S 464 -6.917 -1.250 -7.303 1.00 0.00 H new ATOM 0 HB1 ALA S 464 -5.332 -0.384 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA S 464 -4.764 -1.908 -8.254 1.00 0.00 H new ATOM 0 HB3 ALA S 464 -5.470 -1.906 -9.888 1.00 0.00 H new ATOM 159 N LEU S 465 -8.178 0.278 -8.899 1.00 0.00 N ATOM 160 CA LEU S 465 -9.184 1.034 -9.631 1.00 0.00 C ATOM 161 C LEU S 465 -8.675 2.413 -10.042 1.00 0.00 C ATOM 162 O LEU S 465 -9.384 3.166 -10.709 1.00 0.00 O ATOM 163 CB LEU S 465 -10.430 1.186 -8.769 1.00 0.00 C ATOM 164 CG LEU S 465 -11.039 -0.131 -8.290 1.00 0.00 C ATOM 165 CD1 LEU S 465 -10.414 -0.559 -6.975 1.00 0.00 C ATOM 166 CD2 LEU S 465 -12.548 -0.005 -8.155 1.00 0.00 C ATOM 0 H LEU S 465 -7.667 0.818 -8.201 1.00 0.00 H new ATOM 0 HA LEU S 465 -9.419 0.483 -10.542 1.00 0.00 H new ATOM 0 HB2 LEU S 465 -10.181 1.793 -7.899 1.00 0.00 H new ATOM 0 HB3 LEU S 465 -11.183 1.734 -9.336 1.00 0.00 H new ATOM 0 HG LEU S 465 -10.828 -0.899 -9.034 1.00 0.00 H new ATOM 0 HD11 LEU S 465 -10.860 -1.499 -6.649 1.00 0.00 H new ATOM 0 HD12 LEU S 465 -9.341 -0.694 -7.109 1.00 0.00 H new ATOM 0 HD13 LEU S 465 -10.592 0.208 -6.221 1.00 0.00 H new ATOM 0 HD21 LEU S 465 -12.963 -0.953 -7.813 1.00 0.00 H new ATOM 0 HD22 LEU S 465 -12.785 0.776 -7.433 1.00 0.00 H new ATOM 0 HD23 LEU S 465 -12.980 0.252 -9.122 1.00 0.00 H new ATOM 178 N PHE S 466 -7.458 2.749 -9.632 1.00 0.00 N ATOM 179 CA PHE S 466 -6.890 4.050 -9.953 1.00 0.00 C ATOM 180 C PHE S 466 -5.392 3.984 -10.204 1.00 0.00 C ATOM 181 O PHE S 466 -4.719 3.031 -9.811 1.00 0.00 O ATOM 182 CB PHE S 466 -7.155 5.018 -8.807 1.00 0.00 C ATOM 183 CG PHE S 466 -8.607 5.189 -8.503 1.00 0.00 C ATOM 184 CD1 PHE S 466 -9.482 5.608 -9.485 1.00 0.00 C ATOM 185 CD2 PHE S 466 -9.098 4.925 -7.236 1.00 0.00 C ATOM 186 CE1 PHE S 466 -10.821 5.771 -9.211 1.00 0.00 C ATOM 187 CE2 PHE S 466 -10.438 5.081 -6.955 1.00 0.00 C ATOM 188 CZ PHE S 466 -11.299 5.507 -7.947 1.00 0.00 C ATOM 0 H PHE S 466 -6.850 2.143 -9.081 1.00 0.00 H new ATOM 0 HA PHE S 466 -7.368 4.393 -10.870 1.00 0.00 H new ATOM 0 HB2 PHE S 466 -6.643 4.661 -7.913 1.00 0.00 H new ATOM 0 HB3 PHE S 466 -6.726 5.989 -9.054 1.00 0.00 H new ATOM 0 HD1 PHE S 466 -9.112 5.810 -10.479 1.00 0.00 H new ATOM 0 HD2 PHE S 466 -8.424 4.593 -6.460 1.00 0.00 H new ATOM 0 HE1 PHE S 466 -11.495 6.105 -9.986 1.00 0.00 H new ATOM 0 HE2 PHE S 466 -10.813 4.871 -5.964 1.00 0.00 H new ATOM 0 HZ PHE S 466 -12.350 5.633 -7.731 1.00 0.00 H new ATOM 198 N SER S 467 -4.879 5.034 -10.834 1.00 0.00 N ATOM 199 CA SER S 467 -3.458 5.146 -11.114 1.00 0.00 C ATOM 200 C SER S 467 -2.846 6.157 -10.155 1.00 0.00 C ATOM 201 O SER S 467 -2.872 7.362 -10.403 1.00 0.00 O ATOM 202 CB SER S 467 -3.224 5.577 -12.563 1.00 0.00 C ATOM 203 OG SER S 467 -3.477 4.508 -13.460 1.00 0.00 O ATOM 0 H SER S 467 -5.434 5.825 -11.162 1.00 0.00 H new ATOM 0 HA SER S 467 -2.985 4.174 -10.975 1.00 0.00 H new ATOM 0 HB2 SER S 467 -3.872 6.420 -12.804 1.00 0.00 H new ATOM 0 HB3 SER S 467 -2.196 5.921 -12.682 1.00 0.00 H new ATOM 0 HG SER S 467 -3.322 4.809 -14.380 1.00 0.00 H new ATOM 209 N TYR S 468 -2.334 5.654 -9.042 1.00 0.00 N ATOM 210 CA TYR S 468 -1.752 6.507 -8.014 1.00 0.00 C ATOM 211 C TYR S 468 -0.340 6.951 -8.373 1.00 0.00 C ATOM 212 O TYR S 468 0.592 6.149 -8.373 1.00 0.00 O ATOM 213 CB TYR S 468 -1.737 5.759 -6.677 1.00 0.00 C ATOM 214 CG TYR S 468 -1.052 6.505 -5.547 1.00 0.00 C ATOM 215 CD1 TYR S 468 -0.805 7.871 -5.630 1.00 0.00 C ATOM 216 CD2 TYR S 468 -0.645 5.836 -4.399 1.00 0.00 C ATOM 217 CE1 TYR S 468 -0.172 8.547 -4.606 1.00 0.00 C ATOM 218 CE2 TYR S 468 -0.014 6.507 -3.367 1.00 0.00 C ATOM 219 CZ TYR S 468 0.221 7.861 -3.478 1.00 0.00 C ATOM 220 OH TYR S 468 0.848 8.534 -2.456 1.00 0.00 O ATOM 0 H TYR S 468 -2.309 4.657 -8.826 1.00 0.00 H new ATOM 0 HA TYR S 468 -2.368 7.403 -7.935 1.00 0.00 H new ATOM 0 HB2 TYR S 468 -2.765 5.544 -6.384 1.00 0.00 H new ATOM 0 HB3 TYR S 468 -1.239 4.800 -6.817 1.00 0.00 H new ATOM 0 HD1 TYR S 468 -1.114 8.413 -6.512 1.00 0.00 H new ATOM 0 HD2 TYR S 468 -0.824 4.775 -4.311 1.00 0.00 H new ATOM 0 HE1 TYR S 468 0.014 9.608 -4.689 1.00 0.00 H new ATOM 0 HE2 TYR S 468 0.293 5.973 -2.480 1.00 0.00 H new ATOM 0 HH TYR S 468 1.145 7.893 -1.776 1.00 0.00 H new ATOM 230 N GLU S 469 -0.186 8.244 -8.644 1.00 0.00 N ATOM 231 CA GLU S 469 1.120 8.795 -8.963 1.00 0.00 C ATOM 232 C GLU S 469 1.961 8.859 -7.702 1.00 0.00 C ATOM 233 O GLU S 469 1.780 9.737 -6.856 1.00 0.00 O ATOM 234 CB GLU S 469 0.993 10.183 -9.577 1.00 0.00 C ATOM 235 CG GLU S 469 2.246 10.636 -10.310 1.00 0.00 C ATOM 236 CD GLU S 469 2.035 11.921 -11.086 1.00 0.00 C ATOM 237 OE1 GLU S 469 1.097 11.973 -11.908 1.00 0.00 O ATOM 238 OE2 GLU S 469 2.810 12.877 -10.869 1.00 0.00 O ATOM 0 H GLU S 469 -0.947 8.923 -8.648 1.00 0.00 H new ATOM 0 HA GLU S 469 1.603 8.147 -9.694 1.00 0.00 H new ATOM 0 HB2 GLU S 469 0.153 10.190 -10.271 1.00 0.00 H new ATOM 0 HB3 GLU S 469 0.762 10.901 -8.790 1.00 0.00 H new ATOM 0 HG2 GLU S 469 3.052 10.779 -9.590 1.00 0.00 H new ATOM 0 HG3 GLU S 469 2.566 9.851 -10.995 1.00 0.00 H new ATOM 245 N ALA S 470 2.863 7.906 -7.574 1.00 0.00 N ATOM 246 CA ALA S 470 3.727 7.812 -6.410 1.00 0.00 C ATOM 247 C ALA S 470 5.020 8.595 -6.608 1.00 0.00 C ATOM 248 O ALA S 470 5.821 8.281 -7.490 1.00 0.00 O ATOM 249 CB ALA S 470 4.018 6.350 -6.103 1.00 0.00 C ATOM 0 H ALA S 470 3.019 7.177 -8.270 1.00 0.00 H new ATOM 0 HA ALA S 470 3.209 8.257 -5.560 1.00 0.00 H new ATOM 0 HB1 ALA S 470 4.666 6.284 -5.229 1.00 0.00 H new ATOM 0 HB2 ALA S 470 3.083 5.827 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA S 470 4.513 5.890 -6.958 1.00 0.00 H new ATOM 255 N THR S 471 5.218 9.613 -5.778 1.00 0.00 N ATOM 256 CA THR S 471 6.412 10.444 -5.853 1.00 0.00 C ATOM 257 C THR S 471 7.427 10.028 -4.793 1.00 0.00 C ATOM 258 O THR S 471 8.631 10.223 -4.963 1.00 0.00 O ATOM 259 CB THR S 471 6.046 11.919 -5.674 1.00 0.00 C ATOM 260 OG1 THR S 471 5.468 12.141 -4.401 1.00 0.00 O ATOM 261 CG2 THR S 471 5.072 12.424 -6.716 1.00 0.00 C ATOM 0 H THR S 471 4.564 9.883 -5.043 1.00 0.00 H new ATOM 0 HA THR S 471 6.860 10.306 -6.837 1.00 0.00 H new ATOM 0 HB THR S 471 6.983 12.465 -5.782 1.00 0.00 H new ATOM 0 HG1 THR S 471 6.134 11.964 -3.704 1.00 0.00 H new ATOM 0 HG21 THR S 471 4.855 13.476 -6.531 1.00 0.00 H new ATOM 0 HG22 THR S 471 5.510 12.313 -7.708 1.00 0.00 H new ATOM 0 HG23 THR S 471 4.149 11.848 -6.660 1.00 0.00 H new ATOM 269 N GLN S 472 6.936 9.447 -3.703 1.00 0.00 N ATOM 270 CA GLN S 472 7.806 8.995 -2.623 1.00 0.00 C ATOM 271 C GLN S 472 8.074 7.495 -2.733 1.00 0.00 C ATOM 272 O GLN S 472 7.368 6.778 -3.442 1.00 0.00 O ATOM 273 CB GLN S 472 7.209 9.340 -1.251 1.00 0.00 C ATOM 274 CG GLN S 472 5.690 9.386 -1.222 1.00 0.00 C ATOM 275 CD GLN S 472 5.137 10.698 -1.745 1.00 0.00 C ATOM 276 OE1 GLN S 472 5.882 11.647 -1.985 1.00 0.00 O ATOM 277 NE2 GLN S 472 3.822 10.756 -1.921 1.00 0.00 N ATOM 0 H GLN S 472 5.943 9.278 -3.544 1.00 0.00 H new ATOM 0 HA GLN S 472 8.756 9.520 -2.718 1.00 0.00 H new ATOM 0 HB2 GLN S 472 7.552 8.605 -0.523 1.00 0.00 H new ATOM 0 HB3 GLN S 472 7.596 10.308 -0.933 1.00 0.00 H new ATOM 0 HG2 GLN S 472 5.294 8.565 -1.819 1.00 0.00 H new ATOM 0 HG3 GLN S 472 5.345 9.232 -0.200 1.00 0.00 H new ATOM 0 HE21 GLN S 472 3.243 9.944 -1.709 1.00 0.00 H new ATOM 0 HE22 GLN S 472 3.391 11.613 -2.269 1.00 0.00 H new ATOM 286 N PRO S 473 9.123 7.006 -2.049 1.00 0.00 N ATOM 287 CA PRO S 473 9.514 5.589 -2.090 1.00 0.00 C ATOM 288 C PRO S 473 8.449 4.627 -1.554 1.00 0.00 C ATOM 289 O PRO S 473 7.770 3.957 -2.335 1.00 0.00 O ATOM 290 CB PRO S 473 10.775 5.536 -1.219 1.00 0.00 C ATOM 291 CG PRO S 473 10.722 6.764 -0.376 1.00 0.00 C ATOM 292 CD PRO S 473 10.032 7.803 -1.207 1.00 0.00 C ATOM 0 HA PRO S 473 9.665 5.262 -3.119 1.00 0.00 H new ATOM 0 HB2 PRO S 473 10.790 4.637 -0.603 1.00 0.00 H new ATOM 0 HB3 PRO S 473 11.676 5.518 -1.832 1.00 0.00 H new ATOM 0 HG2 PRO S 473 10.177 6.579 0.550 1.00 0.00 H new ATOM 0 HG3 PRO S 473 11.724 7.089 -0.096 1.00 0.00 H new ATOM 0 HD2 PRO S 473 9.487 8.517 -0.589 1.00 0.00 H new ATOM 0 HD3 PRO S 473 10.740 8.375 -1.807 1.00 0.00 H new ATOM 300 N GLU S 474 8.325 4.535 -0.227 1.00 0.00 N ATOM 301 CA GLU S 474 7.362 3.621 0.403 1.00 0.00 C ATOM 302 C GLU S 474 6.028 3.577 -0.344 1.00 0.00 C ATOM 303 O GLU S 474 5.413 2.517 -0.461 1.00 0.00 O ATOM 304 CB GLU S 474 7.138 3.994 1.873 1.00 0.00 C ATOM 305 CG GLU S 474 6.179 5.152 2.084 1.00 0.00 C ATOM 306 CD GLU S 474 6.711 6.462 1.536 1.00 0.00 C ATOM 307 OE1 GLU S 474 7.939 6.567 1.338 1.00 0.00 O ATOM 308 OE2 GLU S 474 5.899 7.382 1.303 1.00 0.00 O ATOM 0 H GLU S 474 8.878 5.081 0.433 1.00 0.00 H new ATOM 0 HA GLU S 474 7.795 2.622 0.353 1.00 0.00 H new ATOM 0 HB2 GLU S 474 6.758 3.121 2.403 1.00 0.00 H new ATOM 0 HB3 GLU S 474 8.099 4.246 2.322 1.00 0.00 H new ATOM 0 HG2 GLU S 474 5.228 4.922 1.604 1.00 0.00 H new ATOM 0 HG3 GLU S 474 5.980 5.263 3.150 1.00 0.00 H new ATOM 315 N ASP S 475 5.583 4.723 -0.852 1.00 0.00 N ATOM 316 CA ASP S 475 4.329 4.793 -1.586 1.00 0.00 C ATOM 317 C ASP S 475 4.347 3.853 -2.783 1.00 0.00 C ATOM 318 O ASP S 475 5.070 4.076 -3.756 1.00 0.00 O ATOM 319 CB ASP S 475 4.066 6.222 -2.036 1.00 0.00 C ATOM 320 CG ASP S 475 3.274 7.004 -1.009 1.00 0.00 C ATOM 321 OD1 ASP S 475 2.026 6.956 -1.061 1.00 0.00 O ATOM 322 OD2 ASP S 475 3.896 7.654 -0.147 1.00 0.00 O ATOM 0 H ASP S 475 6.073 5.613 -0.768 1.00 0.00 H new ATOM 0 HA ASP S 475 3.524 4.478 -0.922 1.00 0.00 H new ATOM 0 HB2 ASP S 475 5.016 6.724 -2.221 1.00 0.00 H new ATOM 0 HB3 ASP S 475 3.522 6.210 -2.981 1.00 0.00 H new ATOM 327 N LEU S 476 3.544 2.803 -2.699 1.00 0.00 N ATOM 328 CA LEU S 476 3.449 1.816 -3.763 1.00 0.00 C ATOM 329 C LEU S 476 2.558 2.340 -4.880 1.00 0.00 C ATOM 330 O LEU S 476 1.354 2.514 -4.695 1.00 0.00 O ATOM 331 CB LEU S 476 2.894 0.494 -3.206 1.00 0.00 C ATOM 332 CG LEU S 476 2.256 -0.443 -4.238 1.00 0.00 C ATOM 333 CD1 LEU S 476 3.308 -0.988 -5.188 1.00 0.00 C ATOM 334 CD2 LEU S 476 1.519 -1.578 -3.552 1.00 0.00 C ATOM 0 H LEU S 476 2.944 2.612 -1.897 1.00 0.00 H new ATOM 0 HA LEU S 476 4.444 1.631 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU S 476 3.705 -0.039 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU S 476 2.151 0.725 -2.443 1.00 0.00 H new ATOM 0 HG LEU S 476 1.533 0.132 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU S 476 2.835 -1.651 -5.913 1.00 0.00 H new ATOM 0 HD12 LEU S 476 3.789 -0.162 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU S 476 4.056 -1.543 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU S 476 1.074 -2.230 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU S 476 2.219 -2.151 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU S 476 0.734 -1.170 -2.916 1.00 0.00 H new ATOM 346 N GLU S 477 3.157 2.590 -6.038 1.00 0.00 N ATOM 347 CA GLU S 477 2.416 3.092 -7.183 1.00 0.00 C ATOM 348 C GLU S 477 1.720 1.956 -7.909 1.00 0.00 C ATOM 349 O GLU S 477 2.236 0.841 -7.983 1.00 0.00 O ATOM 350 CB GLU S 477 3.347 3.795 -8.165 1.00 0.00 C ATOM 351 CG GLU S 477 2.616 4.577 -9.245 1.00 0.00 C ATOM 352 CD GLU S 477 3.133 4.272 -10.638 1.00 0.00 C ATOM 353 OE1 GLU S 477 2.685 3.267 -11.229 1.00 0.00 O ATOM 354 OE2 GLU S 477 3.984 5.038 -11.136 1.00 0.00 O ATOM 0 H GLU S 477 4.154 2.453 -6.207 1.00 0.00 H new ATOM 0 HA GLU S 477 1.676 3.800 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU S 477 3.997 4.474 -7.613 1.00 0.00 H new ATOM 0 HB3 GLU S 477 3.990 3.053 -8.638 1.00 0.00 H new ATOM 0 HG2 GLU S 477 1.552 4.346 -9.198 1.00 0.00 H new ATOM 0 HG3 GLU S 477 2.720 5.644 -9.049 1.00 0.00 H new ATOM 361 N PHE S 478 0.556 2.249 -8.460 1.00 0.00 N ATOM 362 CA PHE S 478 -0.197 1.242 -9.206 1.00 0.00 C ATOM 363 C PHE S 478 -1.164 1.894 -10.185 1.00 0.00 C ATOM 364 O PHE S 478 -1.370 3.106 -10.152 1.00 0.00 O ATOM 365 CB PHE S 478 -0.949 0.308 -8.256 1.00 0.00 C ATOM 366 CG PHE S 478 -1.643 1.016 -7.132 1.00 0.00 C ATOM 367 CD1 PHE S 478 -0.917 1.556 -6.085 1.00 0.00 C ATOM 368 CD2 PHE S 478 -3.020 1.144 -7.126 1.00 0.00 C ATOM 369 CE1 PHE S 478 -1.554 2.210 -5.049 1.00 0.00 C ATOM 370 CE2 PHE S 478 -3.664 1.795 -6.094 1.00 0.00 C ATOM 371 CZ PHE S 478 -2.930 2.331 -5.053 1.00 0.00 C ATOM 0 H PHE S 478 0.110 3.165 -8.409 1.00 0.00 H new ATOM 0 HA PHE S 478 0.518 0.650 -9.777 1.00 0.00 H new ATOM 0 HB2 PHE S 478 -1.686 -0.258 -8.826 1.00 0.00 H new ATOM 0 HB3 PHE S 478 -0.246 -0.413 -7.839 1.00 0.00 H new ATOM 0 HD1 PHE S 478 0.159 1.465 -6.078 1.00 0.00 H new ATOM 0 HD2 PHE S 478 -3.598 0.730 -7.939 1.00 0.00 H new ATOM 0 HE1 PHE S 478 -0.977 2.626 -4.237 1.00 0.00 H new ATOM 0 HE2 PHE S 478 -4.740 1.886 -6.100 1.00 0.00 H new ATOM 0 HZ PHE S 478 -3.431 2.843 -4.245 1.00 0.00 H new ATOM 381 N GLN S 479 -1.748 1.080 -11.059 1.00 0.00 N ATOM 382 CA GLN S 479 -2.690 1.575 -12.057 1.00 0.00 C ATOM 383 C GLN S 479 -4.115 1.148 -11.725 1.00 0.00 C ATOM 384 O GLN S 479 -4.355 0.483 -10.717 1.00 0.00 O ATOM 385 CB GLN S 479 -2.303 1.067 -13.447 1.00 0.00 C ATOM 386 CG GLN S 479 -2.080 -0.436 -13.505 1.00 0.00 C ATOM 387 CD GLN S 479 -0.634 -0.802 -13.772 1.00 0.00 C ATOM 388 OE1 GLN S 479 -0.154 -0.702 -14.901 1.00 0.00 O ATOM 389 NE2 GLN S 479 0.071 -1.228 -12.730 1.00 0.00 N ATOM 0 H GLN S 479 -1.585 0.074 -11.096 1.00 0.00 H new ATOM 0 HA GLN S 479 -2.649 2.664 -12.049 1.00 0.00 H new ATOM 0 HB2 GLN S 479 -3.087 1.337 -14.155 1.00 0.00 H new ATOM 0 HB3 GLN S 479 -1.393 1.574 -13.770 1.00 0.00 H new ATOM 0 HG2 GLN S 479 -2.396 -0.883 -12.562 1.00 0.00 H new ATOM 0 HG3 GLN S 479 -2.709 -0.863 -14.286 1.00 0.00 H new ATOM 0 HE21 GLN S 479 -0.367 -1.296 -11.811 1.00 0.00 H new ATOM 0 HE22 GLN S 479 1.050 -1.487 -12.849 1.00 0.00 H new ATOM 398 N GLU S 480 -5.056 1.533 -12.580 1.00 0.00 N ATOM 399 CA GLU S 480 -6.458 1.187 -12.378 1.00 0.00 C ATOM 400 C GLU S 480 -6.740 -0.235 -12.855 1.00 0.00 C ATOM 401 O GLU S 480 -6.013 -0.777 -13.688 1.00 0.00 O ATOM 402 CB GLU S 480 -7.363 2.178 -13.113 1.00 0.00 C ATOM 403 CG GLU S 480 -7.322 2.041 -14.626 1.00 0.00 C ATOM 404 CD GLU S 480 -6.983 3.345 -15.324 1.00 0.00 C ATOM 405 OE1 GLU S 480 -7.291 4.417 -14.761 1.00 0.00 O ATOM 406 OE2 GLU S 480 -6.408 3.294 -16.432 1.00 0.00 O ATOM 0 H GLU S 480 -4.874 2.084 -13.419 1.00 0.00 H new ATOM 0 HA GLU S 480 -6.670 1.241 -11.310 1.00 0.00 H new ATOM 0 HB2 GLU S 480 -8.389 2.040 -12.773 1.00 0.00 H new ATOM 0 HB3 GLU S 480 -7.071 3.192 -12.841 1.00 0.00 H new ATOM 0 HG2 GLU S 480 -6.585 1.286 -14.898 1.00 0.00 H new ATOM 0 HG3 GLU S 480 -8.289 1.685 -14.981 1.00 0.00 H new ATOM 413 N GLY S 481 -7.800 -0.832 -12.321 1.00 0.00 N ATOM 414 CA GLY S 481 -8.165 -2.186 -12.699 1.00 0.00 C ATOM 415 C GLY S 481 -6.986 -3.137 -12.672 1.00 0.00 C ATOM 416 O GLY S 481 -6.668 -3.768 -13.679 1.00 0.00 O ATOM 0 H GLY S 481 -8.415 -0.401 -11.631 1.00 0.00 H new ATOM 0 HA2 GLY S 481 -8.938 -2.552 -12.023 1.00 0.00 H new ATOM 0 HA3 GLY S 481 -8.596 -2.176 -13.700 1.00 0.00 H new ATOM 420 N ASP S 482 -6.329 -3.235 -11.519 1.00 0.00 N ATOM 421 CA ASP S 482 -5.175 -4.113 -11.380 1.00 0.00 C ATOM 422 C ASP S 482 -5.382 -5.140 -10.278 1.00 0.00 C ATOM 423 O ASP S 482 -6.425 -5.169 -9.622 1.00 0.00 O ATOM 424 CB ASP S 482 -3.908 -3.303 -11.103 1.00 0.00 C ATOM 425 CG ASP S 482 -2.686 -3.890 -11.782 1.00 0.00 C ATOM 426 OD1 ASP S 482 -2.617 -3.840 -13.029 1.00 0.00 O ATOM 427 OD2 ASP S 482 -1.797 -4.400 -11.068 1.00 0.00 O ATOM 0 H ASP S 482 -6.575 -2.720 -10.674 1.00 0.00 H new ATOM 0 HA ASP S 482 -5.059 -4.645 -12.324 1.00 0.00 H new ATOM 0 HB2 ASP S 482 -4.053 -2.278 -11.445 1.00 0.00 H new ATOM 0 HB3 ASP S 482 -3.736 -3.259 -10.028 1.00 0.00 H new ATOM 432 N ILE S 483 -4.381 -5.986 -10.089 1.00 0.00 N ATOM 433 CA ILE S 483 -4.433 -7.028 -9.082 1.00 0.00 C ATOM 434 C ILE S 483 -3.278 -6.900 -8.094 1.00 0.00 C ATOM 435 O ILE S 483 -2.340 -7.696 -8.110 1.00 0.00 O ATOM 436 CB ILE S 483 -4.389 -8.422 -9.734 1.00 0.00 C ATOM 437 CG1 ILE S 483 -5.479 -8.548 -10.799 1.00 0.00 C ATOM 438 CG2 ILE S 483 -4.544 -9.501 -8.681 1.00 0.00 C ATOM 439 CD1 ILE S 483 -6.871 -8.265 -10.278 1.00 0.00 C ATOM 0 H ILE S 483 -3.515 -5.968 -10.628 1.00 0.00 H new ATOM 0 HA ILE S 483 -5.373 -6.910 -8.544 1.00 0.00 H new ATOM 0 HB ILE S 483 -3.421 -8.550 -10.218 1.00 0.00 H new ATOM 0 HG12 ILE S 483 -5.259 -7.860 -11.615 1.00 0.00 H new ATOM 0 HG13 ILE S 483 -5.454 -9.555 -11.215 1.00 0.00 H new ATOM 0 HG21 ILE S 483 -4.511 -10.481 -9.157 1.00 0.00 H new ATOM 0 HG22 ILE S 483 -3.733 -9.422 -7.957 1.00 0.00 H new ATOM 0 HG23 ILE S 483 -5.499 -9.377 -8.171 1.00 0.00 H new ATOM 0 HD11 ILE S 483 -7.592 -8.373 -11.088 1.00 0.00 H new ATOM 0 HD12 ILE S 483 -7.112 -8.969 -9.482 1.00 0.00 H new ATOM 0 HD13 ILE S 483 -6.914 -7.248 -9.888 1.00 0.00 H new ATOM 451 N ILE S 484 -3.357 -5.895 -7.228 1.00 0.00 N ATOM 452 CA ILE S 484 -2.322 -5.671 -6.228 1.00 0.00 C ATOM 453 C ILE S 484 -2.511 -6.621 -5.053 1.00 0.00 C ATOM 454 O ILE S 484 -3.622 -7.077 -4.787 1.00 0.00 O ATOM 455 CB ILE S 484 -2.339 -4.219 -5.712 1.00 0.00 C ATOM 456 CG1 ILE S 484 -2.332 -3.239 -6.886 1.00 0.00 C ATOM 457 CG2 ILE S 484 -1.148 -3.967 -4.799 1.00 0.00 C ATOM 458 CD1 ILE S 484 -2.720 -1.829 -6.498 1.00 0.00 C ATOM 0 H ILE S 484 -4.125 -5.225 -7.199 1.00 0.00 H new ATOM 0 HA ILE S 484 -1.360 -5.858 -6.705 1.00 0.00 H new ATOM 0 HB ILE S 484 -3.252 -4.064 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE S 484 -1.337 -3.224 -7.331 1.00 0.00 H new ATOM 0 HG13 ILE S 484 -3.018 -3.598 -7.653 1.00 0.00 H new ATOM 0 HG21 ILE S 484 -1.174 -2.937 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE S 484 -1.192 -4.647 -3.948 1.00 0.00 H new ATOM 0 HG23 ILE S 484 -0.224 -4.136 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE S 484 -2.693 -1.189 -7.380 1.00 0.00 H new ATOM 0 HD12 ILE S 484 -3.727 -1.830 -6.081 1.00 0.00 H new ATOM 0 HD13 ILE S 484 -2.019 -1.451 -5.754 1.00 0.00 H new ATOM 470 N LEU S 485 -1.422 -6.922 -4.357 1.00 0.00 N ATOM 471 CA LEU S 485 -1.483 -7.826 -3.218 1.00 0.00 C ATOM 472 C LEU S 485 -1.351 -7.058 -1.908 1.00 0.00 C ATOM 473 O LEU S 485 -0.326 -6.432 -1.643 1.00 0.00 O ATOM 474 CB LEU S 485 -0.383 -8.892 -3.332 1.00 0.00 C ATOM 475 CG LEU S 485 -0.007 -9.618 -2.034 1.00 0.00 C ATOM 476 CD1 LEU S 485 0.978 -8.788 -1.222 1.00 0.00 C ATOM 477 CD2 LEU S 485 -1.246 -9.937 -1.207 1.00 0.00 C ATOM 0 H LEU S 485 -0.492 -6.556 -4.560 1.00 0.00 H new ATOM 0 HA LEU S 485 -2.454 -8.321 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU S 485 -0.702 -9.637 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU S 485 0.514 -8.418 -3.732 1.00 0.00 H new ATOM 0 HG LEU S 485 0.472 -10.560 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU S 485 1.233 -9.320 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU S 485 1.882 -8.621 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU S 485 0.525 -7.829 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU S 485 -0.951 -10.451 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU S 485 -1.762 -9.011 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU S 485 -1.914 -10.577 -1.784 1.00 0.00 H new ATOM 489 N VAL S 486 -2.392 -7.127 -1.087 1.00 0.00 N ATOM 490 CA VAL S 486 -2.381 -6.455 0.204 1.00 0.00 C ATOM 491 C VAL S 486 -1.618 -7.305 1.192 1.00 0.00 C ATOM 492 O VAL S 486 -2.077 -8.382 1.549 1.00 0.00 O ATOM 493 CB VAL S 486 -3.794 -6.243 0.795 1.00 0.00 C ATOM 494 CG1 VAL S 486 -3.828 -4.990 1.638 1.00 0.00 C ATOM 495 CG2 VAL S 486 -4.874 -6.201 -0.277 1.00 0.00 C ATOM 0 H VAL S 486 -3.250 -7.639 -1.292 1.00 0.00 H new ATOM 0 HA VAL S 486 -1.923 -5.479 0.040 1.00 0.00 H new ATOM 0 HB VAL S 486 -4.012 -7.104 1.427 1.00 0.00 H new ATOM 0 HG11 VAL S 486 -4.829 -4.854 2.047 1.00 0.00 H new ATOM 0 HG12 VAL S 486 -3.111 -5.081 2.454 1.00 0.00 H new ATOM 0 HG13 VAL S 486 -3.568 -4.130 1.021 1.00 0.00 H new ATOM 0 HG21 VAL S 486 -5.846 -6.050 0.192 1.00 0.00 H new ATOM 0 HG22 VAL S 486 -4.672 -5.380 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL S 486 -4.878 -7.142 -0.826 1.00 0.00 H new ATOM 505 N LEU S 487 -0.465 -6.841 1.637 1.00 0.00 N ATOM 506 CA LEU S 487 0.308 -7.625 2.587 1.00 0.00 C ATOM 507 C LEU S 487 -0.227 -7.488 4.009 1.00 0.00 C ATOM 508 O LEU S 487 0.022 -8.350 4.851 1.00 0.00 O ATOM 509 CB LEU S 487 1.782 -7.242 2.541 1.00 0.00 C ATOM 510 CG LEU S 487 2.640 -8.069 1.573 1.00 0.00 C ATOM 511 CD1 LEU S 487 4.112 -7.904 1.901 1.00 0.00 C ATOM 512 CD2 LEU S 487 2.252 -9.544 1.622 1.00 0.00 C ATOM 0 H LEU S 487 -0.050 -5.950 1.366 1.00 0.00 H new ATOM 0 HA LEU S 487 0.207 -8.669 2.292 1.00 0.00 H new ATOM 0 HB2 LEU S 487 1.860 -6.191 2.263 1.00 0.00 H new ATOM 0 HB3 LEU S 487 2.198 -7.339 3.544 1.00 0.00 H new ATOM 0 HG LEU S 487 2.459 -7.702 0.563 1.00 0.00 H new ATOM 0 HD11 LEU S 487 4.708 -8.496 1.207 1.00 0.00 H new ATOM 0 HD12 LEU S 487 4.389 -6.853 1.813 1.00 0.00 H new ATOM 0 HD13 LEU S 487 4.298 -8.244 2.920 1.00 0.00 H new ATOM 0 HD21 LEU S 487 2.875 -10.107 0.927 1.00 0.00 H new ATOM 0 HD22 LEU S 487 2.399 -9.926 2.632 1.00 0.00 H new ATOM 0 HD23 LEU S 487 1.204 -9.654 1.342 1.00 0.00 H new ATOM 524 N SER S 488 -0.969 -6.416 4.268 1.00 0.00 N ATOM 525 CA SER S 488 -1.545 -6.180 5.599 1.00 0.00 C ATOM 526 C SER S 488 -2.083 -4.761 5.727 1.00 0.00 C ATOM 527 O SER S 488 -1.774 -3.893 4.912 1.00 0.00 O ATOM 528 CB SER S 488 -0.496 -6.394 6.698 1.00 0.00 C ATOM 529 OG SER S 488 -1.099 -6.855 7.895 1.00 0.00 O ATOM 0 H SER S 488 -1.188 -5.696 3.580 1.00 0.00 H new ATOM 0 HA SER S 488 -2.361 -6.893 5.718 1.00 0.00 H new ATOM 0 HB2 SER S 488 0.247 -7.116 6.360 1.00 0.00 H new ATOM 0 HB3 SER S 488 0.031 -5.459 6.889 1.00 0.00 H new ATOM 0 HG SER S 488 -0.410 -6.985 8.579 1.00 0.00 H new ATOM 535 N LYS S 489 -2.855 -4.525 6.784 1.00 0.00 N ATOM 536 CA LYS S 489 -3.397 -3.198 7.051 1.00 0.00 C ATOM 537 C LYS S 489 -2.318 -2.353 7.716 1.00 0.00 C ATOM 538 O LYS S 489 -1.623 -2.827 8.614 1.00 0.00 O ATOM 539 CB LYS S 489 -4.630 -3.290 7.952 1.00 0.00 C ATOM 540 CG LYS S 489 -5.543 -2.080 7.859 1.00 0.00 C ATOM 541 CD LYS S 489 -6.885 -2.343 8.523 1.00 0.00 C ATOM 542 CE LYS S 489 -8.025 -1.701 7.748 1.00 0.00 C ATOM 543 NZ LYS S 489 -9.105 -1.215 8.648 1.00 0.00 N ATOM 0 H LYS S 489 -3.118 -5.234 7.468 1.00 0.00 H new ATOM 0 HA LYS S 489 -3.702 -2.735 6.113 1.00 0.00 H new ATOM 0 HB2 LYS S 489 -5.196 -4.183 7.688 1.00 0.00 H new ATOM 0 HB3 LYS S 489 -4.306 -3.412 8.986 1.00 0.00 H new ATOM 0 HG2 LYS S 489 -5.063 -1.223 8.332 1.00 0.00 H new ATOM 0 HG3 LYS S 489 -5.699 -1.820 6.812 1.00 0.00 H new ATOM 0 HD2 LYS S 489 -7.052 -3.418 8.595 1.00 0.00 H new ATOM 0 HD3 LYS S 489 -6.871 -1.954 9.541 1.00 0.00 H new ATOM 0 HE2 LYS S 489 -7.640 -0.868 7.160 1.00 0.00 H new ATOM 0 HE3 LYS S 489 -8.437 -2.424 7.044 1.00 0.00 H new ATOM 0 HZ1 LYS S 489 -9.863 -0.784 8.080 1.00 0.00 H new ATOM 0 HZ2 LYS S 489 -9.491 -2.014 9.191 1.00 0.00 H new ATOM 0 HZ3 LYS S 489 -8.718 -0.506 9.303 1.00 0.00 H new ATOM 557 N VAL S 490 -2.149 -1.115 7.262 1.00 0.00 N ATOM 558 CA VAL S 490 -1.107 -0.258 7.828 1.00 0.00 C ATOM 559 C VAL S 490 -1.678 0.926 8.620 1.00 0.00 C ATOM 560 O VAL S 490 -1.054 1.382 9.574 1.00 0.00 O ATOM 561 CB VAL S 490 -0.126 0.220 6.727 1.00 0.00 C ATOM 562 CG1 VAL S 490 0.951 1.138 7.289 1.00 0.00 C ATOM 563 CG2 VAL S 490 0.520 -0.984 6.047 1.00 0.00 C ATOM 0 H VAL S 490 -2.705 -0.688 6.521 1.00 0.00 H new ATOM 0 HA VAL S 490 -0.552 -0.866 8.543 1.00 0.00 H new ATOM 0 HB VAL S 490 -0.700 0.790 5.996 1.00 0.00 H new ATOM 0 HG11 VAL S 490 1.618 1.451 6.486 1.00 0.00 H new ATOM 0 HG12 VAL S 490 0.484 2.016 7.736 1.00 0.00 H new ATOM 0 HG13 VAL S 490 1.523 0.605 8.049 1.00 0.00 H new ATOM 0 HG21 VAL S 490 1.208 -0.640 5.275 1.00 0.00 H new ATOM 0 HG22 VAL S 490 1.067 -1.569 6.786 1.00 0.00 H new ATOM 0 HG23 VAL S 490 -0.253 -1.604 5.594 1.00 0.00 H new ATOM 573 N ASN S 491 -2.860 1.425 8.254 1.00 0.00 N ATOM 574 CA ASN S 491 -3.454 2.539 8.990 1.00 0.00 C ATOM 575 C ASN S 491 -4.840 2.899 8.460 1.00 0.00 C ATOM 576 O ASN S 491 -5.232 4.066 8.470 1.00 0.00 O ATOM 577 CB ASN S 491 -2.536 3.759 8.934 1.00 0.00 C ATOM 578 CG ASN S 491 -2.021 4.019 7.540 1.00 0.00 C ATOM 579 OD1 ASN S 491 -0.882 3.420 7.221 1.00 0.00 O flip ATOM 580 ND2 ASN S 491 -2.633 4.753 6.763 1.00 0.00 N flip ATOM 0 H ASN S 491 -3.414 1.083 7.469 1.00 0.00 H new ATOM 0 HA ASN S 491 -3.570 2.221 10.026 1.00 0.00 H new ATOM 0 HB2 ASN S 491 -3.077 4.636 9.289 1.00 0.00 H new ATOM 0 HB3 ASN S 491 -1.693 3.609 9.609 1.00 0.00 H new ATOM 0 HD21 ASN S 491 -3.506 5.191 7.056 1.00 0.00 H new ATOM 0 HD22 ASN S 491 -2.267 4.923 5.826 1.00 0.00 H new ATOM 587 N GLU S 492 -5.588 1.891 8.014 1.00 0.00 N ATOM 588 CA GLU S 492 -6.942 2.101 7.498 1.00 0.00 C ATOM 589 C GLU S 492 -6.929 2.848 6.164 1.00 0.00 C ATOM 590 O GLU S 492 -7.457 2.359 5.165 1.00 0.00 O ATOM 591 CB GLU S 492 -7.787 2.871 8.514 1.00 0.00 C ATOM 592 CG GLU S 492 -9.285 2.740 8.285 1.00 0.00 C ATOM 593 CD GLU S 492 -10.094 3.051 9.527 1.00 0.00 C ATOM 594 OE1 GLU S 492 -9.854 4.111 10.144 1.00 0.00 O ATOM 595 OE2 GLU S 492 -10.968 2.234 9.885 1.00 0.00 O ATOM 0 H GLU S 492 -5.280 0.919 7.999 1.00 0.00 H new ATOM 0 HA GLU S 492 -7.383 1.118 7.331 1.00 0.00 H new ATOM 0 HB2 GLU S 492 -7.549 2.515 9.516 1.00 0.00 H new ATOM 0 HB3 GLU S 492 -7.513 3.925 8.477 1.00 0.00 H new ATOM 0 HG2 GLU S 492 -9.586 3.413 7.482 1.00 0.00 H new ATOM 0 HG3 GLU S 492 -9.511 1.727 7.953 1.00 0.00 H new ATOM 602 N GLU S 493 -6.322 4.030 6.152 1.00 0.00 N ATOM 603 CA GLU S 493 -6.242 4.840 4.939 1.00 0.00 C ATOM 604 C GLU S 493 -5.069 4.394 4.067 1.00 0.00 C ATOM 605 O GLU S 493 -4.836 4.943 2.989 1.00 0.00 O ATOM 606 CB GLU S 493 -6.093 6.321 5.295 1.00 0.00 C ATOM 607 CG GLU S 493 -7.406 6.988 5.672 1.00 0.00 C ATOM 608 CD GLU S 493 -7.562 7.165 7.170 1.00 0.00 C ATOM 609 OE1 GLU S 493 -8.049 6.223 7.831 1.00 0.00 O ATOM 610 OE2 GLU S 493 -7.197 8.243 7.682 1.00 0.00 O ATOM 0 H GLU S 493 -5.878 4.450 6.969 1.00 0.00 H new ATOM 0 HA GLU S 493 -7.166 4.702 4.378 1.00 0.00 H new ATOM 0 HB2 GLU S 493 -5.393 6.419 6.125 1.00 0.00 H new ATOM 0 HB3 GLU S 493 -5.657 6.849 4.447 1.00 0.00 H new ATOM 0 HG2 GLU S 493 -7.467 7.962 5.187 1.00 0.00 H new ATOM 0 HG3 GLU S 493 -8.235 6.390 5.292 1.00 0.00 H new ATOM 617 N TRP S 494 -4.346 3.392 4.545 1.00 0.00 N ATOM 618 CA TRP S 494 -3.202 2.843 3.835 1.00 0.00 C ATOM 619 C TRP S 494 -2.940 1.430 4.327 1.00 0.00 C ATOM 620 O TRP S 494 -3.479 1.011 5.351 1.00 0.00 O ATOM 621 CB TRP S 494 -1.947 3.690 4.058 1.00 0.00 C ATOM 622 CG TRP S 494 -2.041 5.106 3.572 1.00 0.00 C ATOM 623 CD1 TRP S 494 -2.694 6.143 4.174 1.00 0.00 C ATOM 624 CD2 TRP S 494 -1.433 5.650 2.391 1.00 0.00 C ATOM 625 NE1 TRP S 494 -2.527 7.294 3.443 1.00 0.00 N ATOM 626 CE2 TRP S 494 -1.767 7.016 2.345 1.00 0.00 C ATOM 627 CE3 TRP S 494 -0.643 5.116 1.369 1.00 0.00 C ATOM 628 CZ2 TRP S 494 -1.340 7.854 1.323 1.00 0.00 C ATOM 629 CZ3 TRP S 494 -0.217 5.952 0.354 1.00 0.00 C ATOM 630 CH2 TRP S 494 -0.567 7.309 0.338 1.00 0.00 C ATOM 0 H TRP S 494 -4.537 2.937 5.437 1.00 0.00 H new ATOM 0 HA TRP S 494 -3.431 2.842 2.769 1.00 0.00 H new ATOM 0 HB2 TRP S 494 -1.720 3.702 5.124 1.00 0.00 H new ATOM 0 HB3 TRP S 494 -1.107 3.206 3.559 1.00 0.00 H new ATOM 0 HD1 TRP S 494 -3.259 6.069 5.091 1.00 0.00 H new ATOM 0 HE1 TRP S 494 -2.910 8.209 3.683 1.00 0.00 H new ATOM 0 HE3 TRP S 494 -0.371 4.071 1.372 1.00 0.00 H new ATOM 0 HZ2 TRP S 494 -1.610 8.900 1.308 1.00 0.00 H new ATOM 0 HZ3 TRP S 494 0.396 5.553 -0.440 1.00 0.00 H new ATOM 0 HH2 TRP S 494 -0.218 7.936 -0.469 1.00 0.00 H new ATOM 641 N LEU S 495 -2.117 0.698 3.599 1.00 0.00 N ATOM 642 CA LEU S 495 -1.795 -0.662 3.970 1.00 0.00 C ATOM 643 C LEU S 495 -0.510 -1.133 3.311 1.00 0.00 C ATOM 644 O LEU S 495 0.149 -0.376 2.599 1.00 0.00 O ATOM 645 CB LEU S 495 -2.955 -1.591 3.634 1.00 0.00 C ATOM 646 CG LEU S 495 -3.834 -1.153 2.465 1.00 0.00 C ATOM 647 CD1 LEU S 495 -3.485 -1.921 1.200 1.00 0.00 C ATOM 648 CD2 LEU S 495 -5.297 -1.339 2.826 1.00 0.00 C ATOM 0 H LEU S 495 -1.661 1.025 2.747 1.00 0.00 H new ATOM 0 HA LEU S 495 -1.632 -0.687 5.047 1.00 0.00 H new ATOM 0 HB2 LEU S 495 -2.553 -2.580 3.412 1.00 0.00 H new ATOM 0 HB3 LEU S 495 -3.583 -1.693 4.519 1.00 0.00 H new ATOM 0 HG LEU S 495 -3.651 -0.097 2.267 1.00 0.00 H new ATOM 0 HD11 LEU S 495 -4.127 -1.589 0.384 1.00 0.00 H new ATOM 0 HD12 LEU S 495 -2.442 -1.738 0.939 1.00 0.00 H new ATOM 0 HD13 LEU S 495 -3.635 -2.987 1.369 1.00 0.00 H new ATOM 0 HD21 LEU S 495 -5.921 -1.025 1.989 1.00 0.00 H new ATOM 0 HD22 LEU S 495 -5.487 -2.390 3.046 1.00 0.00 H new ATOM 0 HD23 LEU S 495 -5.535 -0.736 3.702 1.00 0.00 H new ATOM 660 N GLU S 496 -0.149 -2.382 3.571 1.00 0.00 N ATOM 661 CA GLU S 496 1.070 -2.946 3.022 1.00 0.00 C ATOM 662 C GLU S 496 0.865 -3.350 1.576 1.00 0.00 C ATOM 663 O GLU S 496 -0.069 -4.080 1.245 1.00 0.00 O ATOM 664 CB GLU S 496 1.522 -4.144 3.857 1.00 0.00 C ATOM 665 CG GLU S 496 2.998 -4.471 3.704 1.00 0.00 C ATOM 666 CD GLU S 496 3.460 -5.538 4.678 1.00 0.00 C ATOM 667 OE1 GLU S 496 3.152 -5.416 5.883 1.00 0.00 O ATOM 668 OE2 GLU S 496 4.129 -6.495 4.237 1.00 0.00 O ATOM 0 H GLU S 496 -0.684 -3.021 4.159 1.00 0.00 H new ATOM 0 HA GLU S 496 1.851 -2.186 3.056 1.00 0.00 H new ATOM 0 HB2 GLU S 496 1.310 -3.945 4.907 1.00 0.00 H new ATOM 0 HB3 GLU S 496 0.934 -5.017 3.573 1.00 0.00 H new ATOM 0 HG2 GLU S 496 3.189 -4.807 2.685 1.00 0.00 H new ATOM 0 HG3 GLU S 496 3.585 -3.565 3.856 1.00 0.00 H new ATOM 675 N GLY S 497 1.731 -2.841 0.711 1.00 0.00 N ATOM 676 CA GLY S 497 1.618 -3.126 -0.700 1.00 0.00 C ATOM 677 C GLY S 497 2.816 -3.863 -1.270 1.00 0.00 C ATOM 678 O GLY S 497 3.920 -3.328 -1.307 1.00 0.00 O ATOM 0 H GLY S 497 2.511 -2.235 0.965 1.00 0.00 H new ATOM 0 HA2 GLY S 497 0.721 -3.721 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY S 497 1.487 -2.189 -1.242 1.00 0.00 H new ATOM 682 N GLU S 498 2.589 -5.089 -1.734 1.00 0.00 N ATOM 683 CA GLU S 498 3.655 -5.892 -2.324 1.00 0.00 C ATOM 684 C GLU S 498 3.240 -6.377 -3.709 1.00 0.00 C ATOM 685 O GLU S 498 2.404 -7.269 -3.836 1.00 0.00 O ATOM 686 CB GLU S 498 3.988 -7.085 -1.428 1.00 0.00 C ATOM 687 CG GLU S 498 5.363 -7.679 -1.690 1.00 0.00 C ATOM 688 CD GLU S 498 5.398 -9.181 -1.491 1.00 0.00 C ATOM 689 OE1 GLU S 498 4.833 -9.905 -2.338 1.00 0.00 O ATOM 690 OE2 GLU S 498 5.990 -9.634 -0.487 1.00 0.00 O ATOM 0 H GLU S 498 1.678 -5.547 -1.713 1.00 0.00 H new ATOM 0 HA GLU S 498 4.545 -5.270 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU S 498 3.929 -6.773 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU S 498 3.234 -7.859 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU S 498 5.667 -7.444 -2.710 1.00 0.00 H new ATOM 0 HG3 GLU S 498 6.089 -7.211 -1.025 1.00 0.00 H new ATOM 697 N SER S 499 3.814 -5.773 -4.747 1.00 0.00 N ATOM 698 CA SER S 499 3.475 -6.144 -6.118 1.00 0.00 C ATOM 699 C SER S 499 4.723 -6.387 -6.965 1.00 0.00 C ATOM 700 O SER S 499 5.477 -5.461 -7.264 1.00 0.00 O ATOM 701 CB SER S 499 2.615 -5.055 -6.759 1.00 0.00 C ATOM 702 OG SER S 499 2.594 -5.184 -8.172 1.00 0.00 O ATOM 0 H SER S 499 4.510 -5.031 -4.666 1.00 0.00 H new ATOM 0 HA SER S 499 2.913 -7.077 -6.078 1.00 0.00 H new ATOM 0 HB2 SER S 499 1.598 -5.115 -6.370 1.00 0.00 H new ATOM 0 HB3 SER S 499 3.003 -4.074 -6.486 1.00 0.00 H new ATOM 0 HG SER S 499 2.036 -4.476 -8.557 1.00 0.00 H new ATOM 708 N LYS S 500 4.915 -7.639 -7.366 1.00 0.00 N ATOM 709 CA LYS S 500 6.051 -8.024 -8.200 1.00 0.00 C ATOM 710 C LYS S 500 7.385 -7.710 -7.531 1.00 0.00 C ATOM 711 O LYS S 500 7.931 -6.617 -7.697 1.00 0.00 O ATOM 712 CB LYS S 500 5.973 -7.314 -9.552 1.00 0.00 C ATOM 713 CG LYS S 500 5.045 -7.996 -10.547 1.00 0.00 C ATOM 714 CD LYS S 500 3.836 -7.133 -10.869 1.00 0.00 C ATOM 715 CE LYS S 500 2.657 -7.467 -9.970 1.00 0.00 C ATOM 716 NZ LYS S 500 1.814 -8.554 -10.542 1.00 0.00 N ATOM 0 H LYS S 500 4.294 -8.411 -7.125 1.00 0.00 H new ATOM 0 HA LYS S 500 5.998 -9.103 -8.345 1.00 0.00 H new ATOM 0 HB2 LYS S 500 5.635 -6.290 -9.396 1.00 0.00 H new ATOM 0 HB3 LYS S 500 6.973 -7.257 -9.981 1.00 0.00 H new ATOM 0 HG2 LYS S 500 5.592 -8.214 -11.465 1.00 0.00 H new ATOM 0 HG3 LYS S 500 4.713 -8.951 -10.140 1.00 0.00 H new ATOM 0 HD2 LYS S 500 4.097 -6.081 -10.752 1.00 0.00 H new ATOM 0 HD3 LYS S 500 3.552 -7.277 -11.911 1.00 0.00 H new ATOM 0 HE2 LYS S 500 3.023 -7.769 -8.989 1.00 0.00 H new ATOM 0 HE3 LYS S 500 2.048 -6.575 -9.823 1.00 0.00 H new ATOM 0 HZ1 LYS S 500 1.021 -8.753 -9.900 1.00 0.00 H new ATOM 0 HZ2 LYS S 500 1.444 -8.256 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS S 500 2.388 -9.413 -10.659 1.00 0.00 H new ATOM 730 N GLY S 501 7.912 -8.686 -6.788 1.00 0.00 N ATOM 731 CA GLY S 501 9.193 -8.526 -6.108 1.00 0.00 C ATOM 732 C GLY S 501 9.459 -7.106 -5.639 1.00 0.00 C ATOM 733 O GLY S 501 10.543 -6.566 -5.860 1.00 0.00 O ATOM 0 H GLY S 501 7.469 -9.594 -6.644 1.00 0.00 H new ATOM 0 HA2 GLY S 501 9.225 -9.196 -5.249 1.00 0.00 H new ATOM 0 HA3 GLY S 501 9.993 -8.833 -6.781 1.00 0.00 H new ATOM 737 N LYS S 502 8.470 -6.505 -4.990 1.00 0.00 N ATOM 738 CA LYS S 502 8.600 -5.145 -4.487 1.00 0.00 C ATOM 739 C LYS S 502 7.662 -4.924 -3.315 1.00 0.00 C ATOM 740 O LYS S 502 6.488 -5.287 -3.373 1.00 0.00 O ATOM 741 CB LYS S 502 8.306 -4.132 -5.594 1.00 0.00 C ATOM 742 CG LYS S 502 9.535 -3.723 -6.387 1.00 0.00 C ATOM 743 CD LYS S 502 9.170 -2.815 -7.551 1.00 0.00 C ATOM 744 CE LYS S 502 8.904 -3.612 -8.818 1.00 0.00 C ATOM 745 NZ LYS S 502 9.116 -2.794 -10.044 1.00 0.00 N ATOM 0 H LYS S 502 7.567 -6.940 -4.800 1.00 0.00 H new ATOM 0 HA LYS S 502 9.626 -5.001 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS S 502 7.569 -4.555 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS S 502 7.857 -3.243 -5.151 1.00 0.00 H new ATOM 0 HG2 LYS S 502 10.239 -3.210 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS S 502 10.040 -4.613 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS S 502 8.286 -2.231 -7.295 1.00 0.00 H new ATOM 0 HD3 LYS S 502 9.979 -2.107 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS S 502 9.560 -4.482 -8.844 1.00 0.00 H new ATOM 0 HE3 LYS S 502 7.880 -3.986 -8.804 1.00 0.00 H new ATOM 0 HZ1 LYS S 502 8.924 -3.374 -10.886 1.00 0.00 H new ATOM 0 HZ2 LYS S 502 8.472 -1.977 -10.032 1.00 0.00 H new ATOM 0 HZ3 LYS S 502 10.100 -2.458 -10.072 1.00 0.00 H new ATOM 759 N VAL S 503 8.183 -4.336 -2.249 1.00 0.00 N ATOM 760 CA VAL S 503 7.383 -4.080 -1.061 1.00 0.00 C ATOM 761 C VAL S 503 7.242 -2.585 -0.796 1.00 0.00 C ATOM 762 O VAL S 503 8.223 -1.842 -0.790 1.00 0.00 O ATOM 763 CB VAL S 503 7.985 -4.768 0.179 1.00 0.00 C ATOM 764 CG1 VAL S 503 7.117 -4.532 1.408 1.00 0.00 C ATOM 765 CG2 VAL S 503 8.166 -6.258 -0.074 1.00 0.00 C ATOM 0 H VAL S 503 9.153 -4.028 -2.182 1.00 0.00 H new ATOM 0 HA VAL S 503 6.394 -4.497 -1.250 1.00 0.00 H new ATOM 0 HB VAL S 503 8.964 -4.329 0.370 1.00 0.00 H new ATOM 0 HG11 VAL S 503 7.564 -5.028 2.270 1.00 0.00 H new ATOM 0 HG12 VAL S 503 7.045 -3.462 1.602 1.00 0.00 H new ATOM 0 HG13 VAL S 503 6.120 -4.937 1.233 1.00 0.00 H new ATOM 0 HG21 VAL S 503 8.592 -6.728 0.812 1.00 0.00 H new ATOM 0 HG22 VAL S 503 7.199 -6.710 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL S 503 8.837 -6.404 -0.921 1.00 0.00 H new ATOM 775 N GLY S 504 6.005 -2.163 -0.575 1.00 0.00 N ATOM 776 CA GLY S 504 5.712 -0.772 -0.304 1.00 0.00 C ATOM 777 C GLY S 504 4.396 -0.630 0.426 1.00 0.00 C ATOM 778 O GLY S 504 4.087 -1.433 1.306 1.00 0.00 O ATOM 0 H GLY S 504 5.187 -2.772 -0.579 1.00 0.00 H new ATOM 0 HA2 GLY S 504 6.513 -0.337 0.294 1.00 0.00 H new ATOM 0 HA3 GLY S 504 5.675 -0.215 -1.240 1.00 0.00 H new ATOM 782 N ILE S 505 3.608 0.375 0.062 1.00 0.00 N ATOM 783 CA ILE S 505 2.315 0.582 0.700 1.00 0.00 C ATOM 784 C ILE S 505 1.399 1.438 -0.152 1.00 0.00 C ATOM 785 O ILE S 505 1.856 2.263 -0.939 1.00 0.00 O ATOM 786 CB ILE S 505 2.465 1.209 2.091 1.00 0.00 C ATOM 787 CG1 ILE S 505 3.561 2.277 2.093 1.00 0.00 C ATOM 788 CG2 ILE S 505 2.769 0.117 3.097 1.00 0.00 C ATOM 789 CD1 ILE S 505 3.209 3.503 2.906 1.00 0.00 C ATOM 0 H ILE S 505 3.839 1.053 -0.664 1.00 0.00 H new ATOM 0 HA ILE S 505 1.863 -0.404 0.810 1.00 0.00 H new ATOM 0 HB ILE S 505 1.532 1.701 2.367 1.00 0.00 H new ATOM 0 HG12 ILE S 505 4.480 1.842 2.486 1.00 0.00 H new ATOM 0 HG13 ILE S 505 3.765 2.579 1.066 1.00 0.00 H new ATOM 0 HG21 ILE S 505 2.877 0.556 4.089 1.00 0.00 H new ATOM 0 HG22 ILE S 505 1.953 -0.606 3.107 1.00 0.00 H new ATOM 0 HG23 ILE S 505 3.696 -0.385 2.820 1.00 0.00 H new ATOM 0 HD11 ILE S 505 4.031 4.217 2.862 1.00 0.00 H new ATOM 0 HD12 ILE S 505 2.308 3.962 2.500 1.00 0.00 H new ATOM 0 HD13 ILE S 505 3.034 3.214 3.942 1.00 0.00 H new ATOM 801 N PHE S 506 0.098 1.234 0.002 1.00 0.00 N ATOM 802 CA PHE S 506 -0.871 1.994 -0.778 1.00 0.00 C ATOM 803 C PHE S 506 -2.162 2.247 -0.005 1.00 0.00 C ATOM 804 O PHE S 506 -2.504 1.509 0.919 1.00 0.00 O ATOM 805 CB PHE S 506 -1.182 1.266 -2.089 1.00 0.00 C ATOM 806 CG PHE S 506 -1.761 -0.111 -1.907 1.00 0.00 C ATOM 807 CD1 PHE S 506 -1.059 -1.095 -1.228 1.00 0.00 C ATOM 808 CD2 PHE S 506 -3.008 -0.421 -2.426 1.00 0.00 C ATOM 809 CE1 PHE S 506 -1.592 -2.360 -1.069 1.00 0.00 C ATOM 810 CE2 PHE S 506 -3.544 -1.685 -2.270 1.00 0.00 C ATOM 811 CZ PHE S 506 -2.836 -2.656 -1.591 1.00 0.00 C ATOM 0 H PHE S 506 -0.308 0.559 0.650 1.00 0.00 H new ATOM 0 HA PHE S 506 -0.422 2.964 -0.995 1.00 0.00 H new ATOM 0 HB2 PHE S 506 -1.881 1.868 -2.669 1.00 0.00 H new ATOM 0 HB3 PHE S 506 -0.266 1.188 -2.675 1.00 0.00 H new ATOM 0 HD1 PHE S 506 -0.085 -0.870 -0.819 1.00 0.00 H new ATOM 0 HD2 PHE S 506 -3.567 0.334 -2.959 1.00 0.00 H new ATOM 0 HE1 PHE S 506 -1.036 -3.117 -0.537 1.00 0.00 H new ATOM 0 HE2 PHE S 506 -4.517 -1.913 -2.679 1.00 0.00 H new ATOM 0 HZ PHE S 506 -3.254 -3.644 -1.468 1.00 0.00 H new ATOM 821 N PRO S 507 -2.894 3.309 -0.388 1.00 0.00 N ATOM 822 CA PRO S 507 -4.155 3.676 0.257 1.00 0.00 C ATOM 823 C PRO S 507 -5.314 2.791 -0.189 1.00 0.00 C ATOM 824 O PRO S 507 -5.669 2.759 -1.368 1.00 0.00 O ATOM 825 CB PRO S 507 -4.366 5.117 -0.201 1.00 0.00 C ATOM 826 CG PRO S 507 -3.708 5.189 -1.534 1.00 0.00 C ATOM 827 CD PRO S 507 -2.546 4.234 -1.485 1.00 0.00 C ATOM 0 HA PRO S 507 -4.117 3.558 1.340 1.00 0.00 H new ATOM 0 HB2 PRO S 507 -5.426 5.360 -0.269 1.00 0.00 H new ATOM 0 HB3 PRO S 507 -3.921 5.824 0.499 1.00 0.00 H new ATOM 0 HG2 PRO S 507 -4.404 4.914 -2.326 1.00 0.00 H new ATOM 0 HG3 PRO S 507 -3.369 6.203 -1.746 1.00 0.00 H new ATOM 0 HD2 PRO S 507 -2.423 3.705 -2.430 1.00 0.00 H new ATOM 0 HD3 PRO S 507 -1.609 4.754 -1.287 1.00 0.00 H new ATOM 835 N LYS S 508 -5.895 2.072 0.764 1.00 0.00 N ATOM 836 CA LYS S 508 -7.014 1.177 0.494 1.00 0.00 C ATOM 837 C LYS S 508 -8.082 1.852 -0.366 1.00 0.00 C ATOM 838 O LYS S 508 -8.758 1.199 -1.161 1.00 0.00 O ATOM 839 CB LYS S 508 -7.624 0.713 1.816 1.00 0.00 C ATOM 840 CG LYS S 508 -8.244 -0.670 1.746 1.00 0.00 C ATOM 841 CD LYS S 508 -9.763 -0.603 1.726 1.00 0.00 C ATOM 842 CE LYS S 508 -10.385 -1.878 2.269 1.00 0.00 C ATOM 843 NZ LYS S 508 -10.723 -2.839 1.182 1.00 0.00 N ATOM 0 H LYS S 508 -5.605 2.092 1.742 1.00 0.00 H new ATOM 0 HA LYS S 508 -6.637 0.319 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS S 508 -6.851 0.717 2.585 1.00 0.00 H new ATOM 0 HB3 LYS S 508 -8.386 1.428 2.126 1.00 0.00 H new ATOM 0 HG2 LYS S 508 -7.890 -1.183 0.852 1.00 0.00 H new ATOM 0 HG3 LYS S 508 -7.917 -1.260 2.602 1.00 0.00 H new ATOM 0 HD2 LYS S 508 -10.098 0.248 2.319 1.00 0.00 H new ATOM 0 HD3 LYS S 508 -10.107 -0.435 0.705 1.00 0.00 H new ATOM 0 HE2 LYS S 508 -9.694 -2.349 2.968 1.00 0.00 H new ATOM 0 HE3 LYS S 508 -11.287 -1.632 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS S 508 -11.034 -3.740 1.599 1.00 0.00 H new ATOM 0 HZ2 LYS S 508 -11.488 -2.446 0.597 1.00 0.00 H new ATOM 0 HZ3 LYS S 508 -9.884 -3.003 0.590 1.00 0.00 H new ATOM 857 N VAL S 509 -8.229 3.160 -0.202 1.00 0.00 N ATOM 858 CA VAL S 509 -9.215 3.923 -0.963 1.00 0.00 C ATOM 859 C VAL S 509 -8.911 3.889 -2.462 1.00 0.00 C ATOM 860 O VAL S 509 -9.764 4.233 -3.282 1.00 0.00 O ATOM 861 CB VAL S 509 -9.280 5.397 -0.489 1.00 0.00 C ATOM 862 CG1 VAL S 509 -7.890 5.931 -0.180 1.00 0.00 C ATOM 863 CG2 VAL S 509 -9.967 6.279 -1.525 1.00 0.00 C ATOM 0 H VAL S 509 -7.678 3.717 0.451 1.00 0.00 H new ATOM 0 HA VAL S 509 -10.181 3.451 -0.785 1.00 0.00 H new ATOM 0 HB VAL S 509 -9.871 5.422 0.426 1.00 0.00 H new ATOM 0 HG11 VAL S 509 -7.963 6.967 0.150 1.00 0.00 H new ATOM 0 HG12 VAL S 509 -7.436 5.330 0.608 1.00 0.00 H new ATOM 0 HG13 VAL S 509 -7.273 5.879 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL S 509 -9.998 7.307 -1.165 1.00 0.00 H new ATOM 0 HG22 VAL S 509 -9.412 6.239 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL S 509 -10.984 5.922 -1.690 1.00 0.00 H new ATOM 873 N PHE S 510 -7.693 3.497 -2.819 1.00 0.00 N ATOM 874 CA PHE S 510 -7.294 3.452 -4.221 1.00 0.00 C ATOM 875 C PHE S 510 -7.429 2.061 -4.823 1.00 0.00 C ATOM 876 O PHE S 510 -6.943 1.814 -5.926 1.00 0.00 O ATOM 877 CB PHE S 510 -5.853 3.925 -4.365 1.00 0.00 C ATOM 878 CG PHE S 510 -5.749 5.400 -4.575 1.00 0.00 C ATOM 879 CD1 PHE S 510 -5.958 6.274 -3.525 1.00 0.00 C ATOM 880 CD2 PHE S 510 -5.455 5.911 -5.824 1.00 0.00 C ATOM 881 CE1 PHE S 510 -5.880 7.633 -3.719 1.00 0.00 C ATOM 882 CE2 PHE S 510 -5.370 7.271 -6.026 1.00 0.00 C ATOM 883 CZ PHE S 510 -5.585 8.133 -4.968 1.00 0.00 C ATOM 0 H PHE S 510 -6.969 3.207 -2.162 1.00 0.00 H new ATOM 0 HA PHE S 510 -7.968 4.114 -4.765 1.00 0.00 H new ATOM 0 HB2 PHE S 510 -5.293 3.649 -3.471 1.00 0.00 H new ATOM 0 HB3 PHE S 510 -5.388 3.409 -5.205 1.00 0.00 H new ATOM 0 HD1 PHE S 510 -6.185 5.886 -2.543 1.00 0.00 H new ATOM 0 HD2 PHE S 510 -5.290 5.237 -6.651 1.00 0.00 H new ATOM 0 HE1 PHE S 510 -6.050 8.308 -2.893 1.00 0.00 H new ATOM 0 HE2 PHE S 510 -5.137 7.661 -7.006 1.00 0.00 H new ATOM 0 HZ PHE S 510 -5.522 9.200 -5.120 1.00 0.00 H new ATOM 893 N VAL S 511 -8.073 1.150 -4.109 1.00 0.00 N ATOM 894 CA VAL S 511 -8.229 -0.205 -4.609 1.00 0.00 C ATOM 895 C VAL S 511 -9.584 -0.805 -4.255 1.00 0.00 C ATOM 896 O VAL S 511 -9.802 -1.996 -4.483 1.00 0.00 O ATOM 897 CB VAL S 511 -7.119 -1.119 -4.061 1.00 0.00 C ATOM 898 CG1 VAL S 511 -5.749 -0.518 -4.334 1.00 0.00 C ATOM 899 CG2 VAL S 511 -7.309 -1.351 -2.571 1.00 0.00 C ATOM 0 H VAL S 511 -8.490 1.322 -3.194 1.00 0.00 H new ATOM 0 HA VAL S 511 -8.158 -0.141 -5.695 1.00 0.00 H new ATOM 0 HB VAL S 511 -7.182 -2.080 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL S 511 -4.977 -1.178 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL S 511 -5.611 -0.400 -5.409 1.00 0.00 H new ATOM 0 HG13 VAL S 511 -5.676 0.456 -3.850 1.00 0.00 H new ATOM 0 HG21 VAL S 511 -6.515 -1.999 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL S 511 -7.273 -0.396 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL S 511 -8.275 -1.824 -2.397 1.00 0.00 H new ATOM 909 N GLU S 512 -10.497 0.006 -3.709 1.00 0.00 N ATOM 910 CA GLU S 512 -11.822 -0.482 -3.342 1.00 0.00 C ATOM 911 C GLU S 512 -11.737 -1.933 -2.868 1.00 0.00 C ATOM 912 O GLU S 512 -10.737 -2.321 -2.260 1.00 0.00 O ATOM 913 CB GLU S 512 -12.772 -0.326 -4.536 1.00 0.00 C ATOM 914 CG GLU S 512 -13.786 0.780 -4.339 1.00 0.00 C ATOM 915 CD GLU S 512 -15.026 0.598 -5.193 1.00 0.00 C ATOM 916 OE1 GLU S 512 -15.321 -0.556 -5.573 1.00 0.00 O ATOM 917 OE2 GLU S 512 -15.703 1.608 -5.481 1.00 0.00 O ATOM 0 H GLU S 512 -10.340 0.995 -3.514 1.00 0.00 H new ATOM 0 HA GLU S 512 -12.218 0.107 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU S 512 -12.189 -0.122 -5.434 1.00 0.00 H new ATOM 0 HB3 GLU S 512 -13.296 -1.267 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU S 512 -14.076 0.818 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU S 512 -13.323 1.738 -4.577 1.00 0.00 H new ATOM 986 N LYS P 360 -10.974 6.721 -15.288 1.00 0.00 N ATOM 987 CA LYS P 360 -11.557 7.235 -14.054 1.00 0.00 C ATOM 988 C LYS P 360 -10.601 8.192 -13.352 1.00 0.00 C ATOM 989 O LYS P 360 -9.391 7.965 -13.317 1.00 0.00 O ATOM 990 CB LYS P 360 -11.917 6.083 -13.113 1.00 0.00 C ATOM 991 CG LYS P 360 -13.330 5.557 -13.301 1.00 0.00 C ATOM 992 CD LYS P 360 -13.948 5.143 -11.975 1.00 0.00 C ATOM 993 CE LYS P 360 -15.404 4.736 -12.141 1.00 0.00 C ATOM 994 NZ LYS P 360 -16.227 5.127 -10.964 1.00 0.00 N ATOM 0 HA LYS P 360 -12.463 7.781 -14.316 1.00 0.00 H new ATOM 0 HB2 LYS P 360 -11.212 5.266 -13.267 1.00 0.00 H new ATOM 0 HB3 LYS P 360 -11.798 6.417 -12.082 1.00 0.00 H new ATOM 0 HG2 LYS P 360 -13.947 6.325 -13.768 1.00 0.00 H new ATOM 0 HG3 LYS P 360 -13.315 4.704 -13.980 1.00 0.00 H new ATOM 0 HD2 LYS P 360 -13.383 4.312 -11.553 1.00 0.00 H new ATOM 0 HD3 LYS P 360 -13.878 5.968 -11.267 1.00 0.00 H new ATOM 0 HE2 LYS P 360 -15.811 5.201 -13.039 1.00 0.00 H new ATOM 0 HE3 LYS P 360 -15.465 3.657 -12.285 1.00 0.00 H new ATOM 0 HZ1 LYS P 360 -17.213 4.832 -11.116 1.00 0.00 H new ATOM 0 HZ2 LYS P 360 -15.855 4.664 -10.111 1.00 0.00 H new ATOM 0 HZ3 LYS P 360 -16.190 6.159 -10.842 1.00 0.00 H new ATOM 1008 N PRO P 361 -11.138 9.280 -12.781 1.00 0.00 N ATOM 1009 CA PRO P 361 -10.354 10.288 -12.073 1.00 0.00 C ATOM 1010 C PRO P 361 -10.058 9.861 -10.640 1.00 0.00 C ATOM 1011 O PRO P 361 -10.888 10.034 -9.749 1.00 0.00 O ATOM 1012 CB PRO P 361 -11.267 11.529 -12.092 1.00 0.00 C ATOM 1013 CG PRO P 361 -12.493 11.121 -12.855 1.00 0.00 C ATOM 1014 CD PRO P 361 -12.556 9.633 -12.773 1.00 0.00 C ATOM 0 HA PRO P 361 -9.381 10.460 -12.534 1.00 0.00 H new ATOM 0 HB2 PRO P 361 -11.522 11.842 -11.080 1.00 0.00 H new ATOM 0 HB3 PRO P 361 -10.771 12.373 -12.571 1.00 0.00 H new ATOM 0 HG2 PRO P 361 -13.387 11.573 -12.426 1.00 0.00 H new ATOM 0 HG3 PRO P 361 -12.435 11.452 -13.892 1.00 0.00 H new ATOM 0 HD2 PRO P 361 -13.058 9.293 -11.867 1.00 0.00 H new ATOM 0 HD3 PRO P 361 -13.092 9.198 -13.617 1.00 0.00 H new ATOM 1022 N GLN P 362 -8.876 9.287 -10.427 1.00 0.00 N ATOM 1023 CA GLN P 362 -8.480 8.821 -9.101 1.00 0.00 C ATOM 1024 C GLN P 362 -8.764 9.862 -8.030 1.00 0.00 C ATOM 1025 O GLN P 362 -8.814 11.063 -8.299 1.00 0.00 O ATOM 1026 CB GLN P 362 -6.989 8.478 -9.058 1.00 0.00 C ATOM 1027 CG GLN P 362 -6.085 9.652 -9.399 1.00 0.00 C ATOM 1028 CD GLN P 362 -5.873 9.813 -10.892 1.00 0.00 C ATOM 1029 OE1 GLN P 362 -6.769 10.254 -11.613 1.00 0.00 O ATOM 1030 NE2 GLN P 362 -4.684 9.455 -11.363 1.00 0.00 N ATOM 0 H GLN P 362 -8.177 9.134 -11.154 1.00 0.00 H new ATOM 0 HA GLN P 362 -9.071 7.928 -8.900 1.00 0.00 H new ATOM 0 HB2 GLN P 362 -6.737 8.113 -8.062 1.00 0.00 H new ATOM 0 HB3 GLN P 362 -6.792 7.664 -9.755 1.00 0.00 H new ATOM 0 HG2 GLN P 362 -6.518 10.568 -8.997 1.00 0.00 H new ATOM 0 HG3 GLN P 362 -5.120 9.515 -8.912 1.00 0.00 H new ATOM 0 HE21 GLN P 362 -3.971 9.095 -10.728 1.00 0.00 H new ATOM 0 HE22 GLN P 362 -4.483 9.541 -12.359 1.00 0.00 H new ATOM 1039 N PRO P 363 -8.938 9.394 -6.791 1.00 0.00 N ATOM 1040 CA PRO P 363 -9.202 10.261 -5.650 1.00 0.00 C ATOM 1041 C PRO P 363 -7.975 11.047 -5.224 1.00 0.00 C ATOM 1042 O PRO P 363 -6.855 10.736 -5.625 1.00 0.00 O ATOM 1043 CB PRO P 363 -9.578 9.292 -4.529 1.00 0.00 C ATOM 1044 CG PRO P 363 -9.075 7.949 -4.940 1.00 0.00 C ATOM 1045 CD PRO P 363 -8.878 7.970 -6.425 1.00 0.00 C ATOM 0 HA PRO P 363 -9.971 10.996 -5.889 1.00 0.00 H new ATOM 0 HB2 PRO P 363 -9.131 9.601 -3.584 1.00 0.00 H new ATOM 0 HB3 PRO P 363 -10.658 9.272 -4.380 1.00 0.00 H new ATOM 0 HG2 PRO P 363 -8.137 7.720 -4.433 1.00 0.00 H new ATOM 0 HG3 PRO P 363 -9.786 7.172 -4.660 1.00 0.00 H new ATOM 0 HD2 PRO P 363 -7.920 7.530 -6.703 1.00 0.00 H new ATOM 0 HD3 PRO P 363 -9.653 7.397 -6.935 1.00 0.00 H new ATOM 1053 N ALA P 364 -8.186 12.032 -4.364 1.00 0.00 N ATOM 1054 CA ALA P 364 -7.082 12.808 -3.834 1.00 0.00 C ATOM 1055 C ALA P 364 -6.429 11.979 -2.744 1.00 0.00 C ATOM 1056 O ALA P 364 -7.059 11.688 -1.726 1.00 0.00 O ATOM 1057 CB ALA P 364 -7.569 14.144 -3.290 1.00 0.00 C ATOM 0 H ALA P 364 -9.106 12.309 -4.022 1.00 0.00 H new ATOM 0 HA ALA P 364 -6.361 13.034 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA P 364 -6.722 14.708 -2.898 1.00 0.00 H new ATOM 0 HB2 ALA P 364 -8.044 14.712 -4.090 1.00 0.00 H new ATOM 0 HB3 ALA P 364 -8.290 13.971 -2.491 1.00 0.00 H new ATOM 1063 N VAL P 365 -5.193 11.549 -2.968 1.00 0.00 N ATOM 1064 CA VAL P 365 -4.522 10.694 -1.994 1.00 0.00 C ATOM 1065 C VAL P 365 -4.635 11.280 -0.586 1.00 0.00 C ATOM 1066 O VAL P 365 -4.496 12.487 -0.390 1.00 0.00 O ATOM 1067 CB VAL P 365 -3.040 10.425 -2.329 1.00 0.00 C ATOM 1068 CG1 VAL P 365 -2.646 9.058 -1.815 1.00 0.00 C ATOM 1069 CG2 VAL P 365 -2.770 10.496 -3.819 1.00 0.00 C ATOM 0 H VAL P 365 -4.643 11.772 -3.798 1.00 0.00 H new ATOM 0 HA VAL P 365 -5.037 9.734 -2.038 1.00 0.00 H new ATOM 0 HB VAL P 365 -2.447 11.201 -1.845 1.00 0.00 H new ATOM 0 HG11 VAL P 365 -1.599 8.868 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL P 365 -2.786 9.021 -0.735 1.00 0.00 H new ATOM 0 HG13 VAL P 365 -3.268 8.298 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL P 365 -1.714 10.300 -4.007 1.00 0.00 H new ATOM 0 HG22 VAL P 365 -3.375 9.750 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL P 365 -3.026 11.489 -4.188 1.00 0.00 H new ATOM 1079 N PRO P 366 -4.930 10.421 0.406 1.00 0.00 N ATOM 1080 CA PRO P 366 -5.110 10.837 1.804 1.00 0.00 C ATOM 1081 C PRO P 366 -3.801 11.082 2.544 1.00 0.00 C ATOM 1082 O PRO P 366 -2.732 10.669 2.095 1.00 0.00 O ATOM 1083 CB PRO P 366 -5.835 9.639 2.414 1.00 0.00 C ATOM 1084 CG PRO P 366 -5.314 8.478 1.645 1.00 0.00 C ATOM 1085 CD PRO P 366 -5.141 8.972 0.235 1.00 0.00 C ATOM 0 HA PRO P 366 -5.641 11.786 1.873 1.00 0.00 H new ATOM 0 HB2 PRO P 366 -5.621 9.542 3.478 1.00 0.00 H new ATOM 0 HB3 PRO P 366 -6.916 9.732 2.313 1.00 0.00 H new ATOM 0 HG2 PRO P 366 -4.367 8.128 2.057 1.00 0.00 H new ATOM 0 HG3 PRO P 366 -6.008 7.639 1.684 1.00 0.00 H new ATOM 0 HD2 PRO P 366 -4.292 8.497 -0.256 1.00 0.00 H new ATOM 0 HD3 PRO P 366 -6.020 8.763 -0.375 1.00 0.00 H new ATOM 1093 N PRO P 367 -3.880 11.761 3.704 1.00 0.00 N ATOM 1094 CA PRO P 367 -2.709 12.066 4.534 1.00 0.00 C ATOM 1095 C PRO P 367 -1.884 10.834 4.832 1.00 0.00 C ATOM 1096 O PRO P 367 -2.080 10.153 5.839 1.00 0.00 O ATOM 1097 CB PRO P 367 -3.321 12.630 5.809 1.00 0.00 C ATOM 1098 CG PRO P 367 -4.585 13.236 5.339 1.00 0.00 C ATOM 1099 CD PRO P 367 -5.116 12.286 4.307 1.00 0.00 C ATOM 0 HA PRO P 367 -2.020 12.752 4.041 1.00 0.00 H new ATOM 0 HB2 PRO P 367 -3.499 11.850 6.549 1.00 0.00 H new ATOM 0 HB3 PRO P 367 -2.669 13.369 6.276 1.00 0.00 H new ATOM 0 HG2 PRO P 367 -5.291 13.361 6.160 1.00 0.00 H new ATOM 0 HG3 PRO P 367 -4.413 14.225 4.913 1.00 0.00 H new ATOM 0 HD2 PRO P 367 -5.719 11.495 4.753 1.00 0.00 H new ATOM 0 HD3 PRO P 367 -5.744 12.791 3.573 1.00 0.00 H new ATOM 1107 N ARG P 368 -0.962 10.569 3.934 1.00 0.00 N ATOM 1108 CA ARG P 368 -0.063 9.425 4.040 1.00 0.00 C ATOM 1109 C ARG P 368 0.469 9.272 5.468 1.00 0.00 C ATOM 1110 O ARG P 368 0.650 10.256 6.186 1.00 0.00 O ATOM 1111 CB ARG P 368 1.074 9.589 3.031 1.00 0.00 C ATOM 1112 CG ARG P 368 1.835 8.313 2.718 1.00 0.00 C ATOM 1113 CD ARG P 368 3.024 8.131 3.648 1.00 0.00 C ATOM 1114 NE ARG P 368 4.219 8.803 3.144 1.00 0.00 N ATOM 1115 CZ ARG P 368 5.399 8.780 3.761 1.00 0.00 C ATOM 1116 NH1 ARG P 368 5.546 8.119 4.902 1.00 0.00 N ATOM 1117 NH2 ARG P 368 6.435 9.419 3.234 1.00 0.00 N ATOM 0 H ARG P 368 -0.808 11.140 3.103 1.00 0.00 H new ATOM 0 HA ARG P 368 -0.611 8.511 3.809 1.00 0.00 H new ATOM 0 HB2 ARG P 368 0.663 9.988 2.103 1.00 0.00 H new ATOM 0 HB3 ARG P 368 1.776 10.330 3.413 1.00 0.00 H new ATOM 0 HG2 ARG P 368 1.166 7.457 2.809 1.00 0.00 H new ATOM 0 HG3 ARG P 368 2.181 8.338 1.685 1.00 0.00 H new ATOM 0 HD2 ARG P 368 2.776 8.523 4.635 1.00 0.00 H new ATOM 0 HD3 ARG P 368 3.230 7.068 3.770 1.00 0.00 H new ATOM 0 HE ARG P 368 4.145 9.320 2.268 1.00 0.00 H new ATOM 0 HH11 ARG P 368 4.753 7.625 5.311 1.00 0.00 H new ATOM 0 HH12 ARG P 368 6.452 8.105 5.370 1.00 0.00 H new ATOM 0 HH21 ARG P 368 6.328 9.928 2.356 1.00 0.00 H new ATOM 0 HH22 ARG P 368 7.339 9.402 3.706 1.00 0.00 H new ATOM 1131 N PRO P 369 0.695 8.020 5.901 1.00 0.00 N ATOM 1132 CA PRO P 369 1.175 7.705 7.255 1.00 0.00 C ATOM 1133 C PRO P 369 2.464 8.427 7.621 1.00 0.00 C ATOM 1134 O PRO P 369 3.170 8.944 6.756 1.00 0.00 O ATOM 1135 CB PRO P 369 1.405 6.194 7.196 1.00 0.00 C ATOM 1136 CG PRO P 369 0.470 5.729 6.139 1.00 0.00 C ATOM 1137 CD PRO P 369 0.478 6.801 5.105 1.00 0.00 C ATOM 0 HA PRO P 369 0.464 8.022 8.017 1.00 0.00 H new ATOM 0 HB2 PRO P 369 2.439 5.957 6.946 1.00 0.00 H new ATOM 0 HB3 PRO P 369 1.192 5.720 8.154 1.00 0.00 H new ATOM 0 HG2 PRO P 369 0.793 4.776 5.720 1.00 0.00 H new ATOM 0 HG3 PRO P 369 -0.532 5.577 6.540 1.00 0.00 H new ATOM 0 HD2 PRO P 369 1.271 6.650 4.372 1.00 0.00 H new ATOM 0 HD3 PRO P 369 -0.462 6.839 4.555 1.00 0.00 H new ATOM 1145 N SER P 370 2.766 8.450 8.915 1.00 0.00 N ATOM 1146 CA SER P 370 3.974 9.097 9.411 1.00 0.00 C ATOM 1147 C SER P 370 5.136 8.109 9.454 1.00 0.00 C ATOM 1148 O SER P 370 6.048 8.247 10.269 1.00 0.00 O ATOM 1149 CB SER P 370 3.731 9.679 10.804 1.00 0.00 C ATOM 1150 OG SER P 370 3.217 10.996 10.725 1.00 0.00 O ATOM 0 H SER P 370 2.188 8.026 9.641 1.00 0.00 H new ATOM 0 HA SER P 370 4.232 9.907 8.729 1.00 0.00 H new ATOM 0 HB2 SER P 370 3.032 9.045 11.349 1.00 0.00 H new ATOM 0 HB3 SER P 370 4.664 9.683 11.367 1.00 0.00 H new ATOM 0 HG SER P 370 3.069 11.344 11.629 1.00 0.00 H new ATOM 1156 N ALA P 371 5.095 7.114 8.569 1.00 0.00 N ATOM 1157 CA ALA P 371 6.139 6.097 8.492 1.00 0.00 C ATOM 1158 C ALA P 371 6.124 5.178 9.710 1.00 0.00 C ATOM 1159 O ALA P 371 5.960 3.968 9.583 1.00 0.00 O ATOM 1160 CB ALA P 371 7.506 6.746 8.329 1.00 0.00 C ATOM 0 H ALA P 371 4.343 6.992 7.891 1.00 0.00 H new ATOM 0 HA ALA P 371 5.935 5.483 7.615 1.00 0.00 H new ATOM 0 HB1 ALA P 371 8.272 5.972 8.273 1.00 0.00 H new ATOM 0 HB2 ALA P 371 7.521 7.338 7.414 1.00 0.00 H new ATOM 0 HB3 ALA P 371 7.706 7.393 9.183 1.00 0.00 H new ATOM 1166 N ASP P 372 6.313 5.750 10.891 1.00 0.00 N ATOM 1167 CA ASP P 372 6.335 4.966 12.127 1.00 0.00 C ATOM 1168 C ASP P 372 5.191 3.957 12.189 1.00 0.00 C ATOM 1169 O ASP P 372 5.443 2.754 12.264 1.00 0.00 O ATOM 1170 CB ASP P 372 6.294 5.886 13.349 1.00 0.00 C ATOM 1171 CG ASP P 372 5.264 6.993 13.213 1.00 0.00 C ATOM 1172 OD1 ASP P 372 4.468 6.950 12.254 1.00 0.00 O ATOM 1173 OD2 ASP P 372 5.255 7.901 14.071 1.00 0.00 O ATOM 0 H ASP P 372 6.453 6.752 11.024 1.00 0.00 H new ATOM 0 HA ASP P 372 7.269 4.404 12.133 1.00 0.00 H new ATOM 0 HB2 ASP P 372 6.071 5.295 14.237 1.00 0.00 H new ATOM 0 HB3 ASP P 372 7.279 6.328 13.500 1.00 0.00 H new ATOM 1178 N LEU P 373 3.932 4.411 12.160 1.00 0.00 N ATOM 1179 CA LEU P 373 2.833 3.455 12.218 1.00 0.00 C ATOM 1180 C LEU P 373 2.986 2.437 11.094 1.00 0.00 C ATOM 1181 O LEU P 373 2.585 1.283 11.234 1.00 0.00 O ATOM 1182 CB LEU P 373 1.439 4.123 12.251 1.00 0.00 C ATOM 1183 CG LEU P 373 0.880 4.759 10.966 1.00 0.00 C ATOM 1184 CD1 LEU P 373 1.057 3.871 9.751 1.00 0.00 C ATOM 1185 CD2 LEU P 373 -0.599 5.048 11.157 1.00 0.00 C ATOM 0 H LEU P 373 3.661 5.392 12.099 1.00 0.00 H new ATOM 0 HA LEU P 373 2.893 2.926 13.169 1.00 0.00 H new ATOM 0 HB2 LEU P 373 0.723 3.371 12.583 1.00 0.00 H new ATOM 0 HB3 LEU P 373 1.465 4.899 13.016 1.00 0.00 H new ATOM 0 HG LEU P 373 1.440 5.677 10.786 1.00 0.00 H new ATOM 0 HD11 LEU P 373 0.645 4.369 8.873 1.00 0.00 H new ATOM 0 HD12 LEU P 373 2.118 3.677 9.594 1.00 0.00 H new ATOM 0 HD13 LEU P 373 0.535 2.927 9.911 1.00 0.00 H new ATOM 0 HD21 LEU P 373 -1.002 5.499 10.250 1.00 0.00 H new ATOM 0 HD22 LEU P 373 -1.128 4.118 11.365 1.00 0.00 H new ATOM 0 HD23 LEU P 373 -0.730 5.735 11.993 1.00 0.00 H new ATOM 1197 N ILE P 374 3.642 2.847 10.007 1.00 0.00 N ATOM 1198 CA ILE P 374 3.914 1.933 8.910 1.00 0.00 C ATOM 1199 C ILE P 374 4.913 0.918 9.425 1.00 0.00 C ATOM 1200 O ILE P 374 4.741 -0.291 9.283 1.00 0.00 O ATOM 1201 CB ILE P 374 4.502 2.649 7.670 1.00 0.00 C ATOM 1202 CG1 ILE P 374 3.492 3.642 7.093 1.00 0.00 C ATOM 1203 CG2 ILE P 374 4.918 1.638 6.616 1.00 0.00 C ATOM 1204 CD1 ILE P 374 4.027 4.428 5.916 1.00 0.00 C ATOM 0 H ILE P 374 3.989 3.796 9.868 1.00 0.00 H new ATOM 0 HA ILE P 374 2.980 1.472 8.588 1.00 0.00 H new ATOM 0 HB ILE P 374 5.388 3.203 7.982 1.00 0.00 H new ATOM 0 HG12 ILE P 374 2.598 3.101 6.783 1.00 0.00 H new ATOM 0 HG13 ILE P 374 3.188 4.336 7.876 1.00 0.00 H new ATOM 0 HG21 ILE P 374 5.329 2.161 5.752 1.00 0.00 H new ATOM 0 HG22 ILE P 374 5.674 0.971 7.030 1.00 0.00 H new ATOM 0 HG23 ILE P 374 4.050 1.055 6.308 1.00 0.00 H new ATOM 0 HD11 ILE P 374 3.259 5.113 5.557 1.00 0.00 H new ATOM 0 HD12 ILE P 374 4.904 4.996 6.226 1.00 0.00 H new ATOM 0 HD13 ILE P 374 4.304 3.742 5.116 1.00 0.00 H new ATOM 1216 N LEU P 375 5.938 1.448 10.081 1.00 0.00 N ATOM 1217 CA LEU P 375 6.969 0.638 10.697 1.00 0.00 C ATOM 1218 C LEU P 375 6.338 -0.262 11.751 1.00 0.00 C ATOM 1219 O LEU P 375 6.882 -1.305 12.114 1.00 0.00 O ATOM 1220 CB LEU P 375 8.022 1.567 11.312 1.00 0.00 C ATOM 1221 CG LEU P 375 8.758 2.439 10.292 1.00 0.00 C ATOM 1222 CD1 LEU P 375 9.089 3.801 10.881 1.00 0.00 C ATOM 1223 CD2 LEU P 375 10.028 1.752 9.811 1.00 0.00 C ATOM 0 H LEU P 375 6.073 2.452 10.198 1.00 0.00 H new ATOM 0 HA LEU P 375 7.455 0.002 9.957 1.00 0.00 H new ATOM 0 HB2 LEU P 375 7.538 2.213 12.044 1.00 0.00 H new ATOM 0 HB3 LEU P 375 8.752 0.964 11.852 1.00 0.00 H new ATOM 0 HG LEU P 375 8.097 2.584 9.438 1.00 0.00 H new ATOM 0 HD11 LEU P 375 9.612 4.402 10.137 1.00 0.00 H new ATOM 0 HD12 LEU P 375 8.168 4.305 11.172 1.00 0.00 H new ATOM 0 HD13 LEU P 375 9.725 3.674 11.757 1.00 0.00 H new ATOM 0 HD21 LEU P 375 10.535 2.390 9.087 1.00 0.00 H new ATOM 0 HD22 LEU P 375 10.688 1.571 10.660 1.00 0.00 H new ATOM 0 HD23 LEU P 375 9.772 0.802 9.342 1.00 0.00 H new ATOM 1235 N ASN P 376 5.168 0.158 12.221 1.00 0.00 N ATOM 1236 CA ASN P 376 4.411 -0.578 13.216 1.00 0.00 C ATOM 1237 C ASN P 376 3.437 -1.559 12.560 1.00 0.00 C ATOM 1238 O ASN P 376 2.937 -2.472 13.216 1.00 0.00 O ATOM 1239 CB ASN P 376 3.633 0.404 14.092 1.00 0.00 C ATOM 1240 CG ASN P 376 3.828 0.143 15.573 1.00 0.00 C ATOM 1241 OD1 ASN P 376 4.507 0.900 16.266 1.00 0.00 O ATOM 1242 ND2 ASN P 376 3.230 -0.935 16.066 1.00 0.00 N ATOM 0 H ASN P 376 4.720 1.023 11.918 1.00 0.00 H new ATOM 0 HA ASN P 376 5.112 -1.149 13.825 1.00 0.00 H new ATOM 0 HB2 ASN P 376 3.950 1.421 13.861 1.00 0.00 H new ATOM 0 HB3 ASN P 376 2.572 0.338 13.852 1.00 0.00 H new ATOM 0 HD21 ASN P 376 3.324 -1.163 17.056 1.00 0.00 H new ATOM 0 HD22 ASN P 376 2.676 -1.535 15.455 1.00 0.00 H new ATOM 1249 N ARG P 377 3.139 -1.348 11.275 1.00 0.00 N ATOM 1250 CA ARG P 377 2.187 -2.208 10.574 1.00 0.00 C ATOM 1251 C ARG P 377 2.656 -2.623 9.173 1.00 0.00 C ATOM 1252 O ARG P 377 1.829 -2.843 8.289 1.00 0.00 O ATOM 1253 CB ARG P 377 0.835 -1.495 10.464 1.00 0.00 C ATOM 1254 CG ARG P 377 0.273 -1.024 11.801 1.00 0.00 C ATOM 1255 CD ARG P 377 0.029 0.483 11.818 1.00 0.00 C ATOM 1256 NE ARG P 377 0.525 1.101 13.044 1.00 0.00 N ATOM 1257 CZ ARG P 377 -0.108 1.045 14.214 1.00 0.00 C ATOM 1258 NH1 ARG P 377 -1.263 0.400 14.320 1.00 0.00 N ATOM 1259 NH2 ARG P 377 0.414 1.636 15.280 1.00 0.00 N ATOM 0 H ARG P 377 3.537 -0.600 10.707 1.00 0.00 H new ATOM 0 HA ARG P 377 2.100 -3.121 11.163 1.00 0.00 H new ATOM 0 HB2 ARG P 377 0.942 -0.635 9.803 1.00 0.00 H new ATOM 0 HB3 ARG P 377 0.117 -2.169 9.997 1.00 0.00 H new ATOM 0 HG2 ARG P 377 -0.662 -1.545 12.005 1.00 0.00 H new ATOM 0 HG3 ARG P 377 0.966 -1.288 12.599 1.00 0.00 H new ATOM 0 HD2 ARG P 377 0.518 0.940 10.958 1.00 0.00 H new ATOM 0 HD3 ARG P 377 -1.039 0.679 11.719 1.00 0.00 H new ATOM 0 HE ARG P 377 1.410 1.606 13.002 1.00 0.00 H new ATOM 0 HH11 ARG P 377 -1.670 -0.056 13.503 1.00 0.00 H new ATOM 0 HH12 ARG P 377 -1.744 0.360 15.219 1.00 0.00 H new ATOM 0 HH21 ARG P 377 1.301 2.134 15.204 1.00 0.00 H new ATOM 0 HH22 ARG P 377 -0.071 1.593 16.176 1.00 0.00 H new ATOM 1273 N CYS P 378 3.968 -2.754 8.963 1.00 0.00 N ATOM 1274 CA CYS P 378 4.476 -3.172 7.651 1.00 0.00 C ATOM 1275 C CYS P 378 5.559 -4.240 7.783 1.00 0.00 C ATOM 1276 O CYS P 378 6.058 -4.505 8.876 1.00 0.00 O ATOM 1277 CB CYS P 378 5.011 -1.980 6.847 1.00 0.00 C ATOM 1278 SG CYS P 378 3.762 -1.177 5.814 1.00 0.00 S ATOM 0 H CYS P 378 4.686 -2.581 9.667 1.00 0.00 H new ATOM 0 HA CYS P 378 3.632 -3.601 7.110 1.00 0.00 H new ATOM 0 HB2 CYS P 378 5.426 -1.245 7.537 1.00 0.00 H new ATOM 0 HB3 CYS P 378 5.830 -2.320 6.213 1.00 0.00 H new ATOM 0 HG CYS P 378 2.901 -2.062 5.407 1.00 0.00 H new ATOM 1284 N SER P 379 5.903 -4.859 6.654 1.00 0.00 N ATOM 1285 CA SER P 379 6.916 -5.912 6.628 1.00 0.00 C ATOM 1286 C SER P 379 8.270 -5.396 7.118 1.00 0.00 C ATOM 1287 O SER P 379 8.573 -5.462 8.309 1.00 0.00 O ATOM 1288 CB SER P 379 7.046 -6.486 5.209 1.00 0.00 C ATOM 1289 OG SER P 379 8.160 -7.357 5.113 1.00 0.00 O ATOM 0 H SER P 379 5.494 -4.648 5.744 1.00 0.00 H new ATOM 0 HA SER P 379 6.596 -6.704 7.305 1.00 0.00 H new ATOM 0 HB2 SER P 379 6.135 -7.024 4.946 1.00 0.00 H new ATOM 0 HB3 SER P 379 7.154 -5.672 4.492 1.00 0.00 H new ATOM 0 HG SER P 379 8.221 -7.711 4.201 1.00 0.00 H new ATOM 1295 N GLU P 380 9.082 -4.888 6.195 1.00 0.00 N ATOM 1296 CA GLU P 380 10.402 -4.367 6.531 1.00 0.00 C ATOM 1297 C GLU P 380 10.985 -3.603 5.349 1.00 0.00 C ATOM 1298 O GLU P 380 11.537 -2.515 5.512 1.00 0.00 O ATOM 1299 CB GLU P 380 11.338 -5.509 6.936 1.00 0.00 C ATOM 1300 CG GLU P 380 11.637 -5.550 8.425 1.00 0.00 C ATOM 1301 CD GLU P 380 12.279 -6.855 8.855 1.00 0.00 C ATOM 1302 OE1 GLU P 380 11.964 -7.900 8.248 1.00 0.00 O ATOM 1303 OE2 GLU P 380 13.098 -6.831 9.798 1.00 0.00 O ATOM 0 H GLU P 380 8.847 -4.826 5.204 1.00 0.00 H new ATOM 0 HA GLU P 380 10.301 -3.683 7.374 1.00 0.00 H new ATOM 0 HB2 GLU P 380 10.891 -6.457 6.637 1.00 0.00 H new ATOM 0 HB3 GLU P 380 12.275 -5.411 6.388 1.00 0.00 H new ATOM 0 HG2 GLU P 380 12.298 -4.722 8.682 1.00 0.00 H new ATOM 0 HG3 GLU P 380 10.711 -5.404 8.982 1.00 0.00 H new ATOM 1310 N SER P 381 10.847 -4.176 4.158 1.00 0.00 N ATOM 1311 CA SER P 381 11.348 -3.543 2.945 1.00 0.00 C ATOM 1312 C SER P 381 10.709 -2.170 2.767 1.00 0.00 C ATOM 1313 O SER P 381 11.388 -1.193 2.450 1.00 0.00 O ATOM 1314 CB SER P 381 11.057 -4.422 1.728 1.00 0.00 C ATOM 1315 OG SER P 381 11.158 -3.683 0.523 1.00 0.00 O ATOM 0 H SER P 381 10.393 -5.077 4.008 1.00 0.00 H new ATOM 0 HA SER P 381 12.427 -3.420 3.036 1.00 0.00 H new ATOM 0 HB2 SER P 381 11.757 -5.257 1.704 1.00 0.00 H new ATOM 0 HB3 SER P 381 10.057 -4.846 1.814 1.00 0.00 H new ATOM 0 HG SER P 381 11.127 -4.297 -0.241 1.00 0.00 H new ATOM 1321 N THR P 382 9.401 -2.103 2.996 1.00 0.00 N ATOM 1322 CA THR P 382 8.670 -0.847 2.881 1.00 0.00 C ATOM 1323 C THR P 382 9.190 0.148 3.911 1.00 0.00 C ATOM 1324 O THR P 382 9.245 1.351 3.661 1.00 0.00 O ATOM 1325 CB THR P 382 7.170 -1.079 3.092 1.00 0.00 C ATOM 1326 OG1 THR P 382 6.627 -1.838 2.026 1.00 0.00 O ATOM 1327 CG2 THR P 382 6.366 0.201 3.201 1.00 0.00 C ATOM 0 H THR P 382 8.827 -2.903 3.262 1.00 0.00 H new ATOM 0 HA THR P 382 8.823 -0.443 1.880 1.00 0.00 H new ATOM 0 HB THR P 382 7.095 -1.612 4.040 1.00 0.00 H new ATOM 0 HG1 THR P 382 5.652 -1.879 2.117 1.00 0.00 H new ATOM 0 HG21 THR P 382 5.314 -0.042 3.349 1.00 0.00 H new ATOM 0 HG22 THR P 382 6.726 0.786 4.047 1.00 0.00 H new ATOM 0 HG23 THR P 382 6.479 0.781 2.285 1.00 0.00 H new ATOM 1335 N LYS P 383 9.566 -0.374 5.072 1.00 0.00 N ATOM 1336 CA LYS P 383 10.081 0.448 6.155 1.00 0.00 C ATOM 1337 C LYS P 383 11.434 1.047 5.791 1.00 0.00 C ATOM 1338 O LYS P 383 11.734 2.188 6.145 1.00 0.00 O ATOM 1339 CB LYS P 383 10.193 -0.383 7.430 1.00 0.00 C ATOM 1340 CG LYS P 383 8.855 -0.605 8.114 1.00 0.00 C ATOM 1341 CD LYS P 383 8.869 -1.835 9.011 1.00 0.00 C ATOM 1342 CE LYS P 383 9.975 -1.764 10.053 1.00 0.00 C ATOM 1343 NZ LYS P 383 10.272 -3.100 10.639 1.00 0.00 N ATOM 0 H LYS P 383 9.523 -1.370 5.286 1.00 0.00 H new ATOM 0 HA LYS P 383 9.385 1.270 6.325 1.00 0.00 H new ATOM 0 HB2 LYS P 383 10.636 -1.349 7.189 1.00 0.00 H new ATOM 0 HB3 LYS P 383 10.871 0.115 8.123 1.00 0.00 H new ATOM 0 HG2 LYS P 383 8.601 0.273 8.707 1.00 0.00 H new ATOM 0 HG3 LYS P 383 8.076 -0.716 7.359 1.00 0.00 H new ATOM 0 HD2 LYS P 383 7.905 -1.931 9.511 1.00 0.00 H new ATOM 0 HD3 LYS P 383 9.002 -2.728 8.401 1.00 0.00 H new ATOM 0 HE2 LYS P 383 10.878 -1.359 9.597 1.00 0.00 H new ATOM 0 HE3 LYS P 383 9.683 -1.076 10.847 1.00 0.00 H new ATOM 0 HZ1 LYS P 383 10.539 -2.989 11.638 1.00 0.00 H new ATOM 0 HZ2 LYS P 383 9.428 -3.704 10.571 1.00 0.00 H new ATOM 0 HZ3 LYS P 383 11.057 -3.541 10.118 1.00 0.00 H new ATOM 1357 N ARG P 384 12.249 0.275 5.077 1.00 0.00 N ATOM 1358 CA ARG P 384 13.568 0.739 4.659 1.00 0.00 C ATOM 1359 C ARG P 384 13.460 2.068 3.919 1.00 0.00 C ATOM 1360 O ARG P 384 14.398 2.863 3.903 1.00 0.00 O ATOM 1361 CB ARG P 384 14.239 -0.305 3.765 1.00 0.00 C ATOM 1362 CG ARG P 384 14.336 -1.683 4.403 1.00 0.00 C ATOM 1363 CD ARG P 384 15.745 -1.975 4.891 1.00 0.00 C ATOM 1364 NE ARG P 384 16.703 -2.037 3.789 1.00 0.00 N ATOM 1365 CZ ARG P 384 16.746 -3.024 2.898 1.00 0.00 C ATOM 1366 NH1 ARG P 384 15.889 -4.035 2.975 1.00 0.00 N ATOM 1367 NH2 ARG P 384 17.649 -3.002 1.928 1.00 0.00 N ATOM 0 H ARG P 384 12.020 -0.672 4.777 1.00 0.00 H new ATOM 0 HA ARG P 384 14.178 0.886 5.550 1.00 0.00 H new ATOM 0 HB2 ARG P 384 13.681 -0.384 2.832 1.00 0.00 H new ATOM 0 HB3 ARG P 384 15.241 0.039 3.509 1.00 0.00 H new ATOM 0 HG2 ARG P 384 13.640 -1.747 5.239 1.00 0.00 H new ATOM 0 HG3 ARG P 384 14.036 -2.441 3.680 1.00 0.00 H new ATOM 0 HD2 ARG P 384 16.052 -1.202 5.596 1.00 0.00 H new ATOM 0 HD3 ARG P 384 15.753 -2.921 5.432 1.00 0.00 H new ATOM 0 HE ARG P 384 17.379 -1.278 3.698 1.00 0.00 H new ATOM 0 HH11 ARG P 384 15.193 -4.058 3.720 1.00 0.00 H new ATOM 0 HH12 ARG P 384 15.927 -4.789 2.289 1.00 0.00 H new ATOM 0 HH21 ARG P 384 18.311 -2.228 1.865 1.00 0.00 H new ATOM 0 HH22 ARG P 384 17.682 -3.759 1.245 1.00 0.00 H new ATOM 1381 N LYS P 385 12.300 2.302 3.309 1.00 0.00 N ATOM 1382 CA LYS P 385 12.055 3.533 2.571 1.00 0.00 C ATOM 1383 C LYS P 385 11.838 4.700 3.529 1.00 0.00 C ATOM 1384 O LYS P 385 12.309 5.813 3.288 1.00 0.00 O ATOM 1385 CB LYS P 385 10.836 3.365 1.663 1.00 0.00 C ATOM 1386 CG LYS P 385 11.042 2.337 0.558 1.00 0.00 C ATOM 1387 CD LYS P 385 9.957 1.268 0.572 1.00 0.00 C ATOM 1388 CE LYS P 385 9.337 1.085 -0.805 1.00 0.00 C ATOM 1389 NZ LYS P 385 9.961 -0.042 -1.550 1.00 0.00 N ATOM 0 H LYS P 385 11.515 1.651 3.313 1.00 0.00 H new ATOM 0 HA LYS P 385 12.930 3.749 1.957 1.00 0.00 H new ATOM 0 HB2 LYS P 385 9.979 3.070 2.269 1.00 0.00 H new ATOM 0 HB3 LYS P 385 10.592 4.327 1.213 1.00 0.00 H new ATOM 0 HG2 LYS P 385 11.046 2.839 -0.410 1.00 0.00 H new ATOM 0 HG3 LYS P 385 12.018 1.866 0.677 1.00 0.00 H new ATOM 0 HD2 LYS P 385 10.381 0.322 0.910 1.00 0.00 H new ATOM 0 HD3 LYS P 385 9.182 1.544 1.287 1.00 0.00 H new ATOM 0 HE2 LYS P 385 8.267 0.903 -0.700 1.00 0.00 H new ATOM 0 HE3 LYS P 385 9.449 2.005 -1.379 1.00 0.00 H new ATOM 0 HZ1 LYS P 385 9.982 0.182 -2.565 1.00 0.00 H new ATOM 0 HZ2 LYS P 385 10.932 -0.189 -1.208 1.00 0.00 H new ATOM 0 HZ3 LYS P 385 9.406 -0.908 -1.398 1.00 0.00 H new ATOM 1403 N LEU P 386 11.129 4.433 4.620 1.00 0.00 N ATOM 1404 CA LEU P 386 10.856 5.455 5.628 1.00 0.00 C ATOM 1405 C LEU P 386 11.882 5.380 6.760 1.00 0.00 C ATOM 1406 O LEU P 386 12.958 5.969 6.665 1.00 0.00 O ATOM 1407 CB LEU P 386 9.426 5.314 6.174 1.00 0.00 C ATOM 1408 CG LEU P 386 8.854 3.894 6.162 1.00 0.00 C ATOM 1409 CD1 LEU P 386 7.850 3.708 7.287 1.00 0.00 C ATOM 1410 CD2 LEU P 386 8.201 3.593 4.822 1.00 0.00 C ATOM 0 H LEU P 386 10.732 3.517 4.831 1.00 0.00 H new ATOM 0 HA LEU P 386 10.941 6.434 5.156 1.00 0.00 H new ATOM 0 HB2 LEU P 386 9.408 5.686 7.199 1.00 0.00 H new ATOM 0 HB3 LEU P 386 8.768 5.957 5.590 1.00 0.00 H new ATOM 0 HG LEU P 386 9.677 3.196 6.315 1.00 0.00 H new ATOM 0 HD11 LEU P 386 7.457 2.692 7.259 1.00 0.00 H new ATOM 0 HD12 LEU P 386 8.341 3.881 8.245 1.00 0.00 H new ATOM 0 HD13 LEU P 386 7.032 4.417 7.165 1.00 0.00 H new ATOM 0 HD21 LEU P 386 7.800 2.579 4.832 1.00 0.00 H new ATOM 0 HD22 LEU P 386 7.392 4.301 4.644 1.00 0.00 H new ATOM 0 HD23 LEU P 386 8.942 3.682 4.028 1.00 0.00 H new