USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 466 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 466 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 469 ASN :FLIP amide:sc= -0.0357 F(o=-1.5!,f=-0.036) USER MOD Set 2.1: A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 445 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.28) USER MOD Single : A 420 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 423 THR OG1 : rot -43:sc= -1.83! USER MOD Single : A 429 LYS NZ :NH3+ -126:sc= -0.0413 (180deg=-0.0521) USER MOD Single : A 433 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 TYR OH : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 72:sc= 0.493 USER MOD Single : A 446 SER OG : rot 180:sc= -0.325 USER MOD Single : A 451 HIS : no HD1:sc= -1.91! C(o=-1.9!,f=-3.4!) USER MOD Single : A 452 CYS SG : rot -92:sc= -0.294 USER MOD Single : A 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 ASN :FLIP amide:sc= -0.012 F(o=-0.7,f=-0.012) USER MOD Single : A 459 HIS : no HD1:sc= 0 X(o=0,f=-0.00077) USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 465 SER OG : rot 180:sc= 0 USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 GLN : amide:sc= -0.0125 K(o=-0.012,f=-1.8!) USER MOD Single : A 478 SER OG : rot -80:sc= -1.71 USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 418 8.675 -5.719 10.467 1.00 0.00 N ATOM 19 CA GLU A 418 7.446 -5.003 9.993 1.00 0.00 C ATOM 20 C GLU A 418 7.857 -3.826 9.107 1.00 0.00 C ATOM 21 O GLU A 418 8.903 -3.235 9.290 1.00 0.00 O ATOM 22 CB GLU A 418 6.663 -4.478 11.200 1.00 0.00 C ATOM 23 CG GLU A 418 6.078 -5.655 11.984 1.00 0.00 C ATOM 24 CD GLU A 418 5.365 -5.136 13.235 1.00 0.00 C ATOM 25 OE1 GLU A 418 5.351 -3.931 13.428 1.00 0.00 O ATOM 26 OE2 GLU A 418 4.845 -5.952 13.978 1.00 0.00 O ATOM 0 HA GLU A 418 6.820 -5.691 9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 418 7.318 -3.889 11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 418 5.863 -3.816 10.868 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.379 -6.210 11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 418 6.871 -6.347 12.266 1.00 0.00 H new ATOM 33 N VAL A 419 7.034 -3.484 8.146 1.00 0.00 N ATOM 34 CA VAL A 419 7.351 -2.344 7.228 1.00 0.00 C ATOM 35 C VAL A 419 6.364 -1.205 7.487 1.00 0.00 C ATOM 36 O VAL A 419 5.167 -1.403 7.542 1.00 0.00 O ATOM 37 CB VAL A 419 7.231 -2.809 5.772 1.00 0.00 C ATOM 38 CG1 VAL A 419 8.419 -3.708 5.421 1.00 0.00 C ATOM 39 CG2 VAL A 419 5.932 -3.600 5.584 1.00 0.00 C ATOM 0 H VAL A 419 6.147 -3.950 7.956 1.00 0.00 H new ATOM 0 HA VAL A 419 8.368 -1.996 7.410 1.00 0.00 H new ATOM 0 HB VAL A 419 7.224 -1.936 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 419 8.332 -4.038 4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 419 9.347 -3.151 5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 419 8.425 -4.577 6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 419 5.852 -3.928 4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 419 5.938 -4.470 6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 419 5.081 -2.965 5.830 1.00 0.00 H new ATOM 49 N MET A 420 6.861 -0.009 7.661 1.00 0.00 N ATOM 50 CA MET A 420 5.963 1.153 7.933 1.00 0.00 C ATOM 51 C MET A 420 5.689 1.911 6.632 1.00 0.00 C ATOM 52 O MET A 420 6.583 2.160 5.847 1.00 0.00 O ATOM 53 CB MET A 420 6.649 2.089 8.931 1.00 0.00 C ATOM 54 CG MET A 420 5.692 3.216 9.320 1.00 0.00 C ATOM 55 SD MET A 420 6.510 4.323 10.497 1.00 0.00 S ATOM 56 CE MET A 420 5.937 3.517 12.013 1.00 0.00 C ATOM 0 H MET A 420 7.856 0.215 7.626 1.00 0.00 H new ATOM 0 HA MET A 420 5.019 0.796 8.345 1.00 0.00 H new ATOM 0 HB2 MET A 420 6.951 1.532 9.818 1.00 0.00 H new ATOM 0 HB3 MET A 420 7.556 2.504 8.491 1.00 0.00 H new ATOM 0 HG2 MET A 420 5.388 3.772 8.433 1.00 0.00 H new ATOM 0 HG3 MET A 420 4.786 2.802 9.763 1.00 0.00 H new ATOM 0 HE1 MET A 420 6.332 4.048 12.879 1.00 0.00 H new ATOM 0 HE2 MET A 420 4.848 3.533 12.044 1.00 0.00 H new ATOM 0 HE3 MET A 420 6.286 2.484 12.030 1.00 0.00 H new ATOM 66 N VAL A 421 4.454 2.283 6.405 1.00 0.00 N ATOM 67 CA VAL A 421 4.087 3.034 5.163 1.00 0.00 C ATOM 68 C VAL A 421 3.238 4.249 5.541 1.00 0.00 C ATOM 69 O VAL A 421 2.747 4.349 6.649 1.00 0.00 O ATOM 70 CB VAL A 421 3.298 2.120 4.223 1.00 0.00 C ATOM 71 CG1 VAL A 421 4.210 0.999 3.719 1.00 0.00 C ATOM 72 CG2 VAL A 421 2.113 1.504 4.972 1.00 0.00 C ATOM 0 H VAL A 421 3.674 2.096 7.035 1.00 0.00 H new ATOM 0 HA VAL A 421 4.992 3.368 4.656 1.00 0.00 H new ATOM 0 HB VAL A 421 2.930 2.705 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 421 3.649 0.347 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 421 5.055 1.431 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 421 4.577 0.420 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 421 1.555 0.854 4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 421 2.480 0.921 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.460 2.298 5.335 1.00 0.00 H new ATOM 82 N PHE A 422 3.072 5.181 4.633 1.00 0.00 N ATOM 83 CA PHE A 422 2.266 6.409 4.935 1.00 0.00 C ATOM 84 C PHE A 422 0.967 6.393 4.129 1.00 0.00 C ATOM 85 O PHE A 422 0.932 5.992 2.982 1.00 0.00 O ATOM 86 CB PHE A 422 3.087 7.645 4.551 1.00 0.00 C ATOM 87 CG PHE A 422 4.203 7.827 5.551 1.00 0.00 C ATOM 88 CD1 PHE A 422 3.992 8.595 6.703 1.00 0.00 C ATOM 89 CD2 PHE A 422 5.443 7.217 5.335 1.00 0.00 C ATOM 90 CE1 PHE A 422 5.023 8.754 7.636 1.00 0.00 C ATOM 91 CE2 PHE A 422 6.474 7.377 6.268 1.00 0.00 C ATOM 92 CZ PHE A 422 6.264 8.144 7.420 1.00 0.00 C ATOM 0 H PHE A 422 3.462 5.145 3.691 1.00 0.00 H new ATOM 0 HA PHE A 422 2.024 6.434 5.997 1.00 0.00 H new ATOM 0 HB2 PHE A 422 3.497 7.528 3.548 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.450 8.529 4.534 1.00 0.00 H new ATOM 0 HD1 PHE A 422 3.034 9.064 6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 422 5.605 6.622 4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 422 4.861 9.348 8.523 1.00 0.00 H new ATOM 0 HE2 PHE A 422 7.432 6.908 6.099 1.00 0.00 H new ATOM 0 HZ PHE A 422 7.059 8.265 8.141 1.00 0.00 H new ATOM 102 N THR A 423 -0.104 6.834 4.734 1.00 0.00 N ATOM 103 CA THR A 423 -1.424 6.865 4.040 1.00 0.00 C ATOM 104 C THR A 423 -1.645 8.271 3.470 1.00 0.00 C ATOM 105 O THR A 423 -1.153 9.237 4.016 1.00 0.00 O ATOM 106 CB THR A 423 -2.521 6.559 5.068 1.00 0.00 C ATOM 107 OG1 THR A 423 -2.499 7.550 6.086 1.00 0.00 O ATOM 108 CG2 THR A 423 -2.274 5.187 5.691 1.00 0.00 C ATOM 0 H THR A 423 -0.120 7.179 5.694 1.00 0.00 H new ATOM 0 HA THR A 423 -1.451 6.130 3.235 1.00 0.00 H new ATOM 0 HB THR A 423 -3.492 6.561 4.573 1.00 0.00 H new ATOM 0 HG1 THR A 423 -1.571 7.741 6.337 1.00 0.00 H new ATOM 0 HG21 THR A 423 -3.055 4.973 6.421 1.00 0.00 H new ATOM 0 HG22 THR A 423 -2.287 4.426 4.911 1.00 0.00 H new ATOM 0 HG23 THR A 423 -1.303 5.182 6.187 1.00 0.00 H new ATOM 116 N PRO A 424 -2.387 8.407 2.397 1.00 0.00 N ATOM 117 CA PRO A 424 -2.659 9.746 1.801 1.00 0.00 C ATOM 118 C PRO A 424 -3.389 10.648 2.805 1.00 0.00 C ATOM 119 O PRO A 424 -3.419 11.854 2.667 1.00 0.00 O ATOM 120 CB PRO A 424 -3.528 9.444 0.563 1.00 0.00 C ATOM 121 CG PRO A 424 -4.084 8.072 0.797 1.00 0.00 C ATOM 122 CD PRO A 424 -3.042 7.329 1.634 1.00 0.00 C ATOM 0 HA PRO A 424 -1.749 10.284 1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 424 -4.326 10.179 0.453 1.00 0.00 H new ATOM 0 HB3 PRO A 424 -2.936 9.478 -0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 424 -5.039 8.123 1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 424 -4.264 7.558 -0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 424 -3.505 6.594 2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 424 -2.331 6.791 1.006 1.00 0.00 H new ATOM 130 N LYS A 425 -3.967 10.063 3.823 1.00 0.00 N ATOM 131 CA LYS A 425 -4.684 10.873 4.851 1.00 0.00 C ATOM 132 C LYS A 425 -3.683 11.333 5.918 1.00 0.00 C ATOM 133 O LYS A 425 -4.018 12.081 6.816 1.00 0.00 O ATOM 134 CB LYS A 425 -5.770 10.019 5.505 1.00 0.00 C ATOM 135 CG LYS A 425 -6.864 9.709 4.483 1.00 0.00 C ATOM 136 CD LYS A 425 -7.935 8.833 5.133 1.00 0.00 C ATOM 137 CE LYS A 425 -9.032 8.530 4.113 1.00 0.00 C ATOM 138 NZ LYS A 425 -10.072 7.669 4.743 1.00 0.00 N ATOM 0 H LYS A 425 -3.973 9.056 3.986 1.00 0.00 H new ATOM 0 HA LYS A 425 -5.142 11.742 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -5.339 9.092 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -6.195 10.545 6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -7.309 10.635 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -6.436 9.199 3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -7.492 7.905 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -8.359 9.341 5.999 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -9.479 9.458 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -8.607 8.028 3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -10.819 7.463 4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -9.639 6.778 5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -10.485 8.164 5.559 1.00 0.00 H new ATOM 152 N GLY A 426 -2.451 10.899 5.818 1.00 0.00 N ATOM 153 CA GLY A 426 -1.415 11.315 6.817 1.00 0.00 C ATOM 154 C GLY A 426 -1.316 10.280 7.940 1.00 0.00 C ATOM 155 O GLY A 426 -0.545 10.432 8.865 1.00 0.00 O ATOM 0 H GLY A 426 -2.116 10.273 5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 426 -0.448 11.422 6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -1.671 12.290 7.233 1.00 0.00 H new ATOM 159 N GLU A 427 -2.083 9.225 7.869 1.00 0.00 N ATOM 160 CA GLU A 427 -2.026 8.180 8.936 1.00 0.00 C ATOM 161 C GLU A 427 -0.945 7.153 8.578 1.00 0.00 C ATOM 162 O GLU A 427 -0.601 6.986 7.425 1.00 0.00 O ATOM 163 CB GLU A 427 -3.392 7.486 9.037 1.00 0.00 C ATOM 164 CG GLU A 427 -4.351 8.337 9.878 1.00 0.00 C ATOM 165 CD GLU A 427 -4.662 9.643 9.145 1.00 0.00 C ATOM 166 OE1 GLU A 427 -4.454 9.692 7.946 1.00 0.00 O ATOM 167 OE2 GLU A 427 -5.103 10.575 9.799 1.00 0.00 O ATOM 0 H GLU A 427 -2.748 9.040 7.118 1.00 0.00 H new ATOM 0 HA GLU A 427 -1.784 8.639 9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -3.806 7.334 8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -3.276 6.501 9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -5.273 7.786 10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -3.905 8.551 10.849 1.00 0.00 H new ATOM 174 N ILE A 428 -0.410 6.466 9.560 1.00 0.00 N ATOM 175 CA ILE A 428 0.656 5.444 9.292 1.00 0.00 C ATOM 176 C ILE A 428 0.054 4.044 9.464 1.00 0.00 C ATOM 177 O ILE A 428 -0.725 3.804 10.365 1.00 0.00 O ATOM 178 CB ILE A 428 1.833 5.654 10.284 1.00 0.00 C ATOM 179 CG1 ILE A 428 3.156 5.163 9.650 1.00 0.00 C ATOM 180 CG2 ILE A 428 1.586 4.884 11.595 1.00 0.00 C ATOM 181 CD1 ILE A 428 3.754 6.259 8.758 1.00 0.00 C ATOM 0 H ILE A 428 -0.667 6.569 10.542 1.00 0.00 H new ATOM 0 HA ILE A 428 1.034 5.550 8.275 1.00 0.00 H new ATOM 0 HB ILE A 428 1.903 6.719 10.505 1.00 0.00 H new ATOM 0 HG12 ILE A 428 3.865 4.894 10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 428 2.974 4.264 9.061 1.00 0.00 H new ATOM 0 HG21 ILE A 428 2.423 5.045 12.275 1.00 0.00 H new ATOM 0 HG22 ILE A 428 0.667 5.242 12.059 1.00 0.00 H new ATOM 0 HG23 ILE A 428 1.493 3.819 11.380 1.00 0.00 H new ATOM 0 HD11 ILE A 428 4.685 5.902 8.317 1.00 0.00 H new ATOM 0 HD12 ILE A 428 3.049 6.508 7.965 1.00 0.00 H new ATOM 0 HD13 ILE A 428 3.954 7.147 9.357 1.00 0.00 H new ATOM 193 N LYS A 429 0.417 3.120 8.613 1.00 0.00 N ATOM 194 CA LYS A 429 -0.117 1.724 8.723 1.00 0.00 C ATOM 195 C LYS A 429 1.064 0.763 8.811 1.00 0.00 C ATOM 196 O LYS A 429 2.013 0.860 8.058 1.00 0.00 O ATOM 197 CB LYS A 429 -0.960 1.402 7.484 1.00 0.00 C ATOM 198 CG LYS A 429 -2.161 2.360 7.397 1.00 0.00 C ATOM 199 CD LYS A 429 -3.299 1.887 8.314 1.00 0.00 C ATOM 200 CE LYS A 429 -4.492 2.841 8.186 1.00 0.00 C ATOM 201 NZ LYS A 429 -4.226 4.077 8.975 1.00 0.00 N ATOM 0 H LYS A 429 1.065 3.271 7.840 1.00 0.00 H new ATOM 0 HA LYS A 429 -0.742 1.626 9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -0.349 1.490 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -1.310 0.371 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -1.852 3.366 7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.515 2.415 6.368 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -3.600 0.874 8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -2.956 1.854 9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -4.658 3.094 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -5.400 2.356 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -5.011 4.242 9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -3.341 3.964 9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -4.140 4.889 8.330 1.00 0.00 H new ATOM 215 N ARG A 430 1.021 -0.154 9.742 1.00 0.00 N ATOM 216 CA ARG A 430 2.147 -1.120 9.909 1.00 0.00 C ATOM 217 C ARG A 430 1.738 -2.478 9.331 1.00 0.00 C ATOM 218 O ARG A 430 0.658 -2.968 9.593 1.00 0.00 O ATOM 219 CB ARG A 430 2.444 -1.265 11.401 1.00 0.00 C ATOM 220 CG ARG A 430 2.769 0.114 11.984 1.00 0.00 C ATOM 221 CD ARG A 430 3.057 -0.011 13.480 1.00 0.00 C ATOM 222 NE ARG A 430 4.424 -0.571 13.662 1.00 0.00 N ATOM 223 CZ ARG A 430 4.746 -1.176 14.774 1.00 0.00 C ATOM 224 NH1 ARG A 430 3.866 -1.305 15.728 1.00 0.00 N ATOM 225 NH2 ARG A 430 5.952 -1.652 14.930 1.00 0.00 N ATOM 0 H ARG A 430 0.249 -0.276 10.398 1.00 0.00 H new ATOM 0 HA ARG A 430 3.034 -0.761 9.387 1.00 0.00 H new ATOM 0 HB2 ARG A 430 1.586 -1.698 11.915 1.00 0.00 H new ATOM 0 HB3 ARG A 430 3.282 -1.945 11.553 1.00 0.00 H new ATOM 0 HG2 ARG A 430 3.632 0.541 11.473 1.00 0.00 H new ATOM 0 HG3 ARG A 430 1.933 0.794 11.821 1.00 0.00 H new ATOM 0 HD2 ARG A 430 2.982 0.964 13.961 1.00 0.00 H new ATOM 0 HD3 ARG A 430 2.318 -0.658 13.953 1.00 0.00 H new ATOM 0 HE ARG A 430 5.113 -0.482 12.915 1.00 0.00 H new ATOM 0 HH11 ARG A 430 2.924 -0.933 15.607 1.00 0.00 H new ATOM 0 HH12 ARG A 430 4.120 -1.778 16.595 1.00 0.00 H new ATOM 0 HH21 ARG A 430 6.641 -1.551 14.184 1.00 0.00 H new ATOM 0 HH22 ARG A 430 6.205 -2.125 15.798 1.00 0.00 H new ATOM 239 N LEU A 431 2.596 -3.090 8.549 1.00 0.00 N ATOM 240 CA LEU A 431 2.273 -4.424 7.946 1.00 0.00 C ATOM 241 C LEU A 431 3.478 -5.360 8.149 1.00 0.00 C ATOM 242 O LEU A 431 4.607 -4.914 8.162 1.00 0.00 O ATOM 243 CB LEU A 431 2.009 -4.254 6.445 1.00 0.00 C ATOM 244 CG LEU A 431 0.899 -3.217 6.218 1.00 0.00 C ATOM 245 CD1 LEU A 431 0.850 -2.842 4.735 1.00 0.00 C ATOM 246 CD2 LEU A 431 -0.460 -3.794 6.641 1.00 0.00 C ATOM 0 H LEU A 431 3.513 -2.720 8.301 1.00 0.00 H new ATOM 0 HA LEU A 431 1.388 -4.845 8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 431 2.922 -3.937 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 431 1.719 -5.210 6.008 1.00 0.00 H new ATOM 0 HG LEU A 431 1.112 -2.332 6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 431 0.063 -2.106 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 431 1.809 -2.420 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 431 0.643 -3.732 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 431 -1.239 -3.050 6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 431 -0.677 -4.684 6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 431 -0.430 -4.059 7.698 1.00 0.00 H new ATOM 258 N PRO A 432 3.252 -6.647 8.306 1.00 0.00 N ATOM 259 CA PRO A 432 4.358 -7.631 8.509 1.00 0.00 C ATOM 260 C PRO A 432 5.206 -7.819 7.242 1.00 0.00 C ATOM 261 O PRO A 432 4.771 -7.538 6.144 1.00 0.00 O ATOM 262 CB PRO A 432 3.630 -8.925 8.902 1.00 0.00 C ATOM 263 CG PRO A 432 2.273 -8.803 8.286 1.00 0.00 C ATOM 264 CD PRO A 432 1.933 -7.309 8.304 1.00 0.00 C ATOM 0 HA PRO A 432 5.070 -7.302 9.266 1.00 0.00 H new ATOM 0 HB2 PRO A 432 4.156 -9.804 8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 432 3.565 -9.029 9.985 1.00 0.00 H new ATOM 0 HG2 PRO A 432 2.271 -9.191 7.268 1.00 0.00 H new ATOM 0 HG3 PRO A 432 1.536 -9.377 8.848 1.00 0.00 H new ATOM 0 HD2 PRO A 432 1.343 -7.023 7.433 1.00 0.00 H new ATOM 0 HD3 PRO A 432 1.350 -7.042 9.186 1.00 0.00 H new ATOM 272 N GLN A 433 6.418 -8.278 7.396 1.00 0.00 N ATOM 273 CA GLN A 433 7.310 -8.472 6.215 1.00 0.00 C ATOM 274 C GLN A 433 6.622 -9.364 5.177 1.00 0.00 C ATOM 275 O GLN A 433 5.843 -10.235 5.508 1.00 0.00 O ATOM 276 CB GLN A 433 8.612 -9.135 6.676 1.00 0.00 C ATOM 277 CG GLN A 433 9.583 -9.259 5.498 1.00 0.00 C ATOM 278 CD GLN A 433 10.888 -9.896 5.980 1.00 0.00 C ATOM 279 OE1 GLN A 433 10.869 -10.860 6.720 1.00 0.00 O ATOM 280 NE2 GLN A 433 12.029 -9.397 5.588 1.00 0.00 N ATOM 0 H GLN A 433 6.832 -8.529 8.294 1.00 0.00 H new ATOM 0 HA GLN A 433 7.525 -7.504 5.762 1.00 0.00 H new ATOM 0 HB2 GLN A 433 9.067 -8.546 7.473 1.00 0.00 H new ATOM 0 HB3 GLN A 433 8.401 -10.121 7.089 1.00 0.00 H new ATOM 0 HG2 GLN A 433 9.139 -9.866 4.709 1.00 0.00 H new ATOM 0 HG3 GLN A 433 9.781 -8.276 5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 433 12.045 -8.588 4.967 1.00 0.00 H new ATOM 0 HE22 GLN A 433 12.904 -9.816 5.903 1.00 0.00 H new ATOM 289 N GLY A 434 6.909 -9.148 3.918 1.00 0.00 N ATOM 290 CA GLY A 434 6.279 -9.978 2.849 1.00 0.00 C ATOM 291 C GLY A 434 4.905 -9.405 2.503 1.00 0.00 C ATOM 292 O GLY A 434 4.130 -10.011 1.787 1.00 0.00 O ATOM 0 H GLY A 434 7.554 -8.431 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 434 6.913 -9.991 1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 434 6.180 -11.010 3.186 1.00 0.00 H new ATOM 296 N ALA A 435 4.597 -8.241 3.003 1.00 0.00 N ATOM 297 CA ALA A 435 3.274 -7.623 2.707 1.00 0.00 C ATOM 298 C ALA A 435 3.235 -7.174 1.244 1.00 0.00 C ATOM 299 O ALA A 435 4.256 -6.916 0.639 1.00 0.00 O ATOM 300 CB ALA A 435 3.062 -6.416 3.621 1.00 0.00 C ATOM 0 H ALA A 435 5.207 -7.689 3.606 1.00 0.00 H new ATOM 0 HA ALA A 435 2.483 -8.353 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 435 2.095 -5.962 3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 435 3.088 -6.739 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 435 3.852 -5.685 3.448 1.00 0.00 H new ATOM 306 N THR A 436 2.057 -7.086 0.671 1.00 0.00 N ATOM 307 CA THR A 436 1.925 -6.661 -0.760 1.00 0.00 C ATOM 308 C THR A 436 0.933 -5.499 -0.863 1.00 0.00 C ATOM 309 O THR A 436 0.311 -5.111 0.105 1.00 0.00 O ATOM 310 CB THR A 436 1.411 -7.837 -1.597 1.00 0.00 C ATOM 311 OG1 THR A 436 0.096 -8.175 -1.177 1.00 0.00 O ATOM 312 CG2 THR A 436 2.336 -9.041 -1.417 1.00 0.00 C ATOM 0 H THR A 436 1.174 -7.292 1.138 1.00 0.00 H new ATOM 0 HA THR A 436 2.899 -6.343 -1.131 1.00 0.00 H new ATOM 0 HB THR A 436 1.394 -7.554 -2.650 1.00 0.00 H new ATOM 0 HG1 THR A 436 -0.235 -8.926 -1.712 1.00 0.00 H new ATOM 0 HG21 THR A 436 1.967 -9.875 -2.014 1.00 0.00 H new ATOM 0 HG22 THR A 436 3.342 -8.779 -1.743 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.358 -9.329 -0.366 1.00 0.00 H new ATOM 320 N ALA A 437 0.789 -4.937 -2.033 1.00 0.00 N ATOM 321 CA ALA A 437 -0.153 -3.795 -2.210 1.00 0.00 C ATOM 322 C ALA A 437 -1.568 -4.219 -1.812 1.00 0.00 C ATOM 323 O ALA A 437 -2.334 -3.434 -1.291 1.00 0.00 O ATOM 324 CB ALA A 437 -0.151 -3.356 -3.676 1.00 0.00 C ATOM 0 H ALA A 437 1.286 -5.221 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 437 0.166 -2.968 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -0.839 -2.521 -3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 437 0.854 -3.046 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -0.466 -4.188 -4.305 1.00 0.00 H new ATOM 330 N LEU A 438 -1.928 -5.447 -2.063 1.00 0.00 N ATOM 331 CA LEU A 438 -3.300 -5.907 -1.705 1.00 0.00 C ATOM 332 C LEU A 438 -3.507 -5.811 -0.190 1.00 0.00 C ATOM 333 O LEU A 438 -4.551 -5.398 0.273 1.00 0.00 O ATOM 334 CB LEU A 438 -3.476 -7.360 -2.144 1.00 0.00 C ATOM 335 CG LEU A 438 -3.510 -7.446 -3.677 1.00 0.00 C ATOM 336 CD1 LEU A 438 -3.411 -8.917 -4.099 1.00 0.00 C ATOM 337 CD2 LEU A 438 -4.814 -6.828 -4.229 1.00 0.00 C ATOM 0 H LEU A 438 -1.333 -6.151 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 438 -4.031 -5.275 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.658 -7.967 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -4.399 -7.765 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 438 -2.668 -6.886 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -3.435 -8.986 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.477 -9.340 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -4.251 -9.472 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -4.818 -6.899 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -5.671 -7.368 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -4.874 -5.781 -3.934 1.00 0.00 H new ATOM 349 N ASP A 439 -2.528 -6.197 0.585 1.00 0.00 N ATOM 350 CA ASP A 439 -2.684 -6.134 2.068 1.00 0.00 C ATOM 351 C ASP A 439 -2.946 -4.690 2.498 1.00 0.00 C ATOM 352 O ASP A 439 -3.793 -4.424 3.328 1.00 0.00 O ATOM 353 CB ASP A 439 -1.404 -6.638 2.736 1.00 0.00 C ATOM 354 CG ASP A 439 -1.569 -6.600 4.257 1.00 0.00 C ATOM 355 OD1 ASP A 439 -2.576 -6.081 4.710 1.00 0.00 O ATOM 356 OD2 ASP A 439 -0.686 -7.092 4.941 1.00 0.00 O ATOM 0 H ASP A 439 -1.630 -6.552 0.257 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.525 -6.759 2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -1.187 -7.655 2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -0.558 -6.020 2.436 1.00 0.00 H new ATOM 361 N PHE A 440 -2.228 -3.755 1.941 1.00 0.00 N ATOM 362 CA PHE A 440 -2.435 -2.328 2.318 1.00 0.00 C ATOM 363 C PHE A 440 -3.873 -1.917 1.994 1.00 0.00 C ATOM 364 O PHE A 440 -4.539 -1.276 2.784 1.00 0.00 O ATOM 365 CB PHE A 440 -1.458 -1.453 1.531 1.00 0.00 C ATOM 366 CG PHE A 440 -1.690 0.003 1.867 1.00 0.00 C ATOM 367 CD1 PHE A 440 -1.312 0.501 3.120 1.00 0.00 C ATOM 368 CD2 PHE A 440 -2.278 0.857 0.925 1.00 0.00 C ATOM 369 CE1 PHE A 440 -1.521 1.851 3.430 1.00 0.00 C ATOM 370 CE2 PHE A 440 -2.487 2.204 1.235 1.00 0.00 C ATOM 371 CZ PHE A 440 -2.109 2.703 2.488 1.00 0.00 C ATOM 0 H PHE A 440 -1.505 -3.917 1.240 1.00 0.00 H new ATOM 0 HA PHE A 440 -2.258 -2.201 3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 440 -0.432 -1.732 1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 440 -1.591 -1.615 0.461 1.00 0.00 H new ATOM 0 HD1 PHE A 440 -0.859 -0.156 3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 440 -2.570 0.474 -0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 440 -1.228 2.235 4.396 1.00 0.00 H new ATOM 0 HE2 PHE A 440 -2.941 2.861 0.507 1.00 0.00 H new ATOM 0 HZ PHE A 440 -2.271 3.744 2.727 1.00 0.00 H new ATOM 381 N ALA A 441 -4.359 -2.275 0.835 1.00 0.00 N ATOM 382 CA ALA A 441 -5.751 -1.899 0.464 1.00 0.00 C ATOM 383 C ALA A 441 -6.732 -2.447 1.506 1.00 0.00 C ATOM 384 O ALA A 441 -7.638 -1.760 1.937 1.00 0.00 O ATOM 385 CB ALA A 441 -6.081 -2.482 -0.914 1.00 0.00 C ATOM 0 H ALA A 441 -3.851 -2.811 0.131 1.00 0.00 H new ATOM 0 HA ALA A 441 -5.838 -0.813 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.100 -2.209 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -5.386 -2.084 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -5.993 -3.568 -0.880 1.00 0.00 H new ATOM 391 N TYR A 442 -6.560 -3.674 1.921 1.00 0.00 N ATOM 392 CA TYR A 442 -7.485 -4.250 2.939 1.00 0.00 C ATOM 393 C TYR A 442 -7.352 -3.475 4.252 1.00 0.00 C ATOM 394 O TYR A 442 -8.318 -3.266 4.960 1.00 0.00 O ATOM 395 CB TYR A 442 -7.145 -5.724 3.185 1.00 0.00 C ATOM 396 CG TYR A 442 -7.611 -6.561 2.013 1.00 0.00 C ATOM 397 CD1 TYR A 442 -8.981 -6.680 1.745 1.00 0.00 C ATOM 398 CD2 TYR A 442 -6.681 -7.224 1.202 1.00 0.00 C ATOM 399 CE1 TYR A 442 -9.419 -7.457 0.666 1.00 0.00 C ATOM 400 CE2 TYR A 442 -7.119 -8.001 0.123 1.00 0.00 C ATOM 401 CZ TYR A 442 -8.488 -8.116 -0.145 1.00 0.00 C ATOM 402 OH TYR A 442 -8.921 -8.883 -1.209 1.00 0.00 O ATOM 0 H TYR A 442 -5.821 -4.300 1.600 1.00 0.00 H new ATOM 0 HA TYR A 442 -8.508 -4.174 2.569 1.00 0.00 H new ATOM 0 HB2 TYR A 442 -6.070 -5.841 3.322 1.00 0.00 H new ATOM 0 HB3 TYR A 442 -7.623 -6.069 4.102 1.00 0.00 H new ATOM 0 HD1 TYR A 442 -9.700 -6.172 2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 442 -5.625 -7.136 1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 442 -10.475 -7.548 0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 442 -6.401 -8.511 -0.502 1.00 0.00 H new ATOM 0 HH TYR A 442 -8.147 -9.270 -1.669 1.00 0.00 H new ATOM 412 N SER A 443 -6.162 -3.059 4.591 1.00 0.00 N ATOM 413 CA SER A 443 -5.968 -2.312 5.866 1.00 0.00 C ATOM 414 C SER A 443 -6.847 -1.058 5.874 1.00 0.00 C ATOM 415 O SER A 443 -7.450 -0.721 6.875 1.00 0.00 O ATOM 416 CB SER A 443 -4.501 -1.899 5.995 1.00 0.00 C ATOM 417 OG SER A 443 -3.679 -3.058 5.944 1.00 0.00 O ATOM 0 H SER A 443 -5.316 -3.204 4.040 1.00 0.00 H new ATOM 0 HA SER A 443 -6.246 -2.954 6.702 1.00 0.00 H new ATOM 0 HB2 SER A 443 -4.233 -1.213 5.191 1.00 0.00 H new ATOM 0 HB3 SER A 443 -4.342 -1.368 6.933 1.00 0.00 H new ATOM 0 HG SER A 443 -3.666 -3.410 5.029 1.00 0.00 H new ATOM 423 N LEU A 444 -6.922 -0.361 4.773 1.00 0.00 N ATOM 424 CA LEU A 444 -7.759 0.873 4.733 1.00 0.00 C ATOM 425 C LEU A 444 -9.232 0.504 4.899 1.00 0.00 C ATOM 426 O LEU A 444 -9.816 0.699 5.946 1.00 0.00 O ATOM 427 CB LEU A 444 -7.569 1.579 3.389 1.00 0.00 C ATOM 428 CG LEU A 444 -6.081 1.854 3.148 1.00 0.00 C ATOM 429 CD1 LEU A 444 -5.909 2.540 1.789 1.00 0.00 C ATOM 430 CD2 LEU A 444 -5.527 2.759 4.262 1.00 0.00 C ATOM 0 H LEU A 444 -6.442 -0.591 3.903 1.00 0.00 H new ATOM 0 HA LEU A 444 -7.455 1.535 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -7.968 0.961 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -8.127 2.515 3.379 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.533 0.912 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -4.852 2.738 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.293 1.890 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -6.460 3.480 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -4.469 2.950 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -6.070 3.704 4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -5.649 2.265 5.226 1.00 0.00 H new ATOM 442 N HIS A 445 -9.844 -0.020 3.867 1.00 0.00 N ATOM 443 CA HIS A 445 -11.288 -0.396 3.954 1.00 0.00 C ATOM 444 C HIS A 445 -11.526 -1.696 3.187 1.00 0.00 C ATOM 445 O HIS A 445 -10.615 -2.285 2.642 1.00 0.00 O ATOM 446 CB HIS A 445 -12.139 0.713 3.334 1.00 0.00 C ATOM 447 CG HIS A 445 -11.929 1.992 4.093 1.00 0.00 C ATOM 448 ND1 HIS A 445 -12.466 2.200 5.354 1.00 0.00 N ATOM 449 CD2 HIS A 445 -11.245 3.141 3.783 1.00 0.00 C ATOM 450 CE1 HIS A 445 -12.100 3.431 5.752 1.00 0.00 C ATOM 451 NE2 HIS A 445 -11.355 4.049 4.832 1.00 0.00 N ATOM 0 H HIS A 445 -9.404 -0.204 2.965 1.00 0.00 H new ATOM 0 HA HIS A 445 -11.563 -0.532 5.000 1.00 0.00 H new ATOM 0 HB2 HIS A 445 -11.869 0.851 2.287 1.00 0.00 H new ATOM 0 HB3 HIS A 445 -13.192 0.433 3.357 1.00 0.00 H new ATOM 0 HD2 HIS A 445 -10.704 3.314 2.865 1.00 0.00 H new ATOM 0 HE1 HIS A 445 -12.375 3.867 6.701 1.00 0.00 H new ATOM 0 HE2 HIS A 445 -10.953 4.985 4.886 1.00 0.00 H new ATOM 459 N SER A 446 -12.754 -2.146 3.141 1.00 0.00 N ATOM 460 CA SER A 446 -13.077 -3.409 2.410 1.00 0.00 C ATOM 461 C SER A 446 -13.686 -3.059 1.051 1.00 0.00 C ATOM 462 O SER A 446 -13.225 -3.509 0.021 1.00 0.00 O ATOM 463 CB SER A 446 -14.089 -4.218 3.222 1.00 0.00 C ATOM 464 OG SER A 446 -15.263 -3.439 3.413 1.00 0.00 O ATOM 0 H SER A 446 -13.553 -1.689 3.582 1.00 0.00 H new ATOM 0 HA SER A 446 -12.169 -3.995 2.268 1.00 0.00 H new ATOM 0 HB2 SER A 446 -14.333 -5.144 2.702 1.00 0.00 H new ATOM 0 HB3 SER A 446 -13.662 -4.496 4.185 1.00 0.00 H new ATOM 0 HG SER A 446 -15.916 -3.954 3.932 1.00 0.00 H new ATOM 470 N ASP A 447 -14.720 -2.261 1.040 1.00 0.00 N ATOM 471 CA ASP A 447 -15.355 -1.886 -0.253 1.00 0.00 C ATOM 472 C ASP A 447 -14.348 -1.124 -1.117 1.00 0.00 C ATOM 473 O ASP A 447 -14.206 -1.382 -2.296 1.00 0.00 O ATOM 474 CB ASP A 447 -16.561 -0.985 0.024 1.00 0.00 C ATOM 475 CG ASP A 447 -17.691 -1.814 0.639 1.00 0.00 C ATOM 476 OD1 ASP A 447 -17.618 -3.028 0.562 1.00 0.00 O ATOM 477 OD2 ASP A 447 -18.610 -1.217 1.177 1.00 0.00 O ATOM 0 H ASP A 447 -15.151 -1.854 1.870 1.00 0.00 H new ATOM 0 HA ASP A 447 -15.675 -2.787 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 447 -16.278 -0.179 0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 447 -16.900 -0.519 -0.901 1.00 0.00 H new ATOM 482 N LEU A 448 -13.655 -0.179 -0.543 1.00 0.00 N ATOM 483 CA LEU A 448 -12.668 0.607 -1.334 1.00 0.00 C ATOM 484 C LEU A 448 -11.557 -0.336 -1.828 1.00 0.00 C ATOM 485 O LEU A 448 -11.134 -0.272 -2.966 1.00 0.00 O ATOM 486 CB LEU A 448 -12.075 1.708 -0.433 1.00 0.00 C ATOM 487 CG LEU A 448 -11.628 2.925 -1.267 1.00 0.00 C ATOM 488 CD1 LEU A 448 -10.704 2.473 -2.403 1.00 0.00 C ATOM 489 CD2 LEU A 448 -12.856 3.664 -1.851 1.00 0.00 C ATOM 0 H LEU A 448 -13.730 0.082 0.440 1.00 0.00 H new ATOM 0 HA LEU A 448 -13.149 1.069 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 448 -12.817 2.020 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 448 -11.225 1.310 0.121 1.00 0.00 H new ATOM 0 HG LEU A 448 -11.086 3.610 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 448 -10.394 3.340 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 448 -9.825 1.984 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 448 -11.236 1.773 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 448 -12.521 4.520 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 448 -13.419 2.985 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 448 -13.494 4.008 -1.037 1.00 0.00 H new ATOM 501 N GLY A 449 -11.086 -1.207 -0.977 1.00 0.00 N ATOM 502 CA GLY A 449 -10.004 -2.149 -1.389 1.00 0.00 C ATOM 503 C GLY A 449 -10.529 -3.119 -2.449 1.00 0.00 C ATOM 504 O GLY A 449 -9.834 -3.460 -3.386 1.00 0.00 O ATOM 0 H GLY A 449 -11.404 -1.308 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 449 -9.155 -1.590 -1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 449 -9.645 -2.704 -0.523 1.00 0.00 H new ATOM 508 N ASP A 450 -11.747 -3.568 -2.312 1.00 0.00 N ATOM 509 CA ASP A 450 -12.303 -4.515 -3.318 1.00 0.00 C ATOM 510 C ASP A 450 -12.554 -3.767 -4.628 1.00 0.00 C ATOM 511 O ASP A 450 -12.799 -4.363 -5.658 1.00 0.00 O ATOM 512 CB ASP A 450 -13.618 -5.098 -2.796 1.00 0.00 C ATOM 513 CG ASP A 450 -13.328 -6.046 -1.631 1.00 0.00 C ATOM 514 OD1 ASP A 450 -12.174 -6.405 -1.459 1.00 0.00 O ATOM 515 OD2 ASP A 450 -14.264 -6.396 -0.930 1.00 0.00 O ATOM 0 H ASP A 450 -12.378 -3.321 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 450 -11.595 -5.325 -3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -14.280 -4.296 -2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -14.134 -5.632 -3.594 1.00 0.00 H new ATOM 520 N HIS A 451 -12.487 -2.460 -4.591 1.00 0.00 N ATOM 521 CA HIS A 451 -12.710 -1.645 -5.825 1.00 0.00 C ATOM 522 C HIS A 451 -11.364 -1.121 -6.328 1.00 0.00 C ATOM 523 O HIS A 451 -11.302 -0.238 -7.159 1.00 0.00 O ATOM 524 CB HIS A 451 -13.619 -0.461 -5.489 1.00 0.00 C ATOM 525 CG HIS A 451 -14.973 -0.972 -5.079 1.00 0.00 C ATOM 526 ND1 HIS A 451 -15.707 -0.377 -4.066 1.00 0.00 N ATOM 527 CD2 HIS A 451 -15.738 -2.018 -5.533 1.00 0.00 C ATOM 528 CE1 HIS A 451 -16.858 -1.063 -3.944 1.00 0.00 C ATOM 529 NE2 HIS A 451 -16.928 -2.074 -4.814 1.00 0.00 N ATOM 0 H HIS A 451 -12.286 -1.918 -3.751 1.00 0.00 H new ATOM 0 HA HIS A 451 -13.178 -2.259 -6.594 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -13.182 0.130 -4.684 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -13.713 0.197 -6.353 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -15.459 -2.694 -6.327 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -17.632 -0.825 -3.229 1.00 0.00 H new ATOM 0 HE2 HIS A 451 -17.690 -2.743 -4.927 1.00 0.00 H new ATOM 537 N CYS A 452 -10.283 -1.651 -5.822 1.00 0.00 N ATOM 538 CA CYS A 452 -8.943 -1.175 -6.264 1.00 0.00 C ATOM 539 C CYS A 452 -8.636 -1.715 -7.662 1.00 0.00 C ATOM 540 O CYS A 452 -8.600 -2.909 -7.884 1.00 0.00 O ATOM 541 CB CYS A 452 -7.879 -1.677 -5.286 1.00 0.00 C ATOM 542 SG CYS A 452 -7.836 -3.486 -5.326 1.00 0.00 S ATOM 0 H CYS A 452 -10.271 -2.393 -5.122 1.00 0.00 H new ATOM 0 HA CYS A 452 -8.939 -0.085 -6.288 1.00 0.00 H new ATOM 0 HB2 CYS A 452 -6.903 -1.273 -5.554 1.00 0.00 H new ATOM 0 HB3 CYS A 452 -8.103 -1.329 -4.277 1.00 0.00 H new ATOM 0 HG CYS A 452 -8.626 -3.959 -4.408 1.00 0.00 H new ATOM 548 N ILE A 453 -8.410 -0.840 -8.610 1.00 0.00 N ATOM 549 CA ILE A 453 -8.097 -1.283 -10.003 1.00 0.00 C ATOM 550 C ILE A 453 -6.591 -1.167 -10.248 1.00 0.00 C ATOM 551 O ILE A 453 -6.093 -1.520 -11.299 1.00 0.00 O ATOM 552 CB ILE A 453 -8.856 -0.393 -10.994 1.00 0.00 C ATOM 553 CG1 ILE A 453 -8.496 1.080 -10.756 1.00 0.00 C ATOM 554 CG2 ILE A 453 -10.361 -0.586 -10.802 1.00 0.00 C ATOM 555 CD1 ILE A 453 -9.160 1.943 -11.830 1.00 0.00 C ATOM 0 H ILE A 453 -8.429 0.171 -8.477 1.00 0.00 H new ATOM 0 HA ILE A 453 -8.402 -2.321 -10.139 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.577 -0.670 -12.011 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -8.828 1.392 -9.766 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -7.414 1.211 -10.785 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -10.902 0.046 -11.506 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -10.620 -1.630 -10.979 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -10.636 -0.312 -9.783 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -8.906 2.990 -11.664 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -8.806 1.636 -12.814 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -10.242 1.819 -11.779 1.00 0.00 H new ATOM 567 N GLY A 454 -5.861 -0.668 -9.287 1.00 0.00 N ATOM 568 CA GLY A 454 -4.389 -0.526 -9.469 1.00 0.00 C ATOM 569 C GLY A 454 -3.756 -0.019 -8.171 1.00 0.00 C ATOM 570 O GLY A 454 -4.426 0.187 -7.180 1.00 0.00 O ATOM 0 H GLY A 454 -6.220 -0.353 -8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -3.953 -1.485 -9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -4.179 0.168 -10.283 1.00 0.00 H new ATOM 574 N ALA A 455 -2.465 0.188 -8.173 1.00 0.00 N ATOM 575 CA ALA A 455 -1.781 0.686 -6.943 1.00 0.00 C ATOM 576 C ALA A 455 -0.521 1.457 -7.343 1.00 0.00 C ATOM 577 O ALA A 455 0.089 1.181 -8.356 1.00 0.00 O ATOM 578 CB ALA A 455 -1.399 -0.499 -6.052 1.00 0.00 C ATOM 0 H ALA A 455 -1.854 0.033 -8.975 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.452 1.346 -6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -0.900 -0.133 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -2.298 -1.047 -5.770 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -0.727 -1.162 -6.597 1.00 0.00 H new ATOM 584 N LYS A 456 -0.131 2.427 -6.554 1.00 0.00 N ATOM 585 CA LYS A 456 1.091 3.233 -6.875 1.00 0.00 C ATOM 586 C LYS A 456 1.930 3.410 -5.608 1.00 0.00 C ATOM 587 O LYS A 456 1.419 3.745 -4.556 1.00 0.00 O ATOM 588 CB LYS A 456 0.667 4.605 -7.407 1.00 0.00 C ATOM 589 CG LYS A 456 1.871 5.291 -8.067 1.00 0.00 C ATOM 590 CD LYS A 456 1.453 6.635 -8.687 1.00 0.00 C ATOM 591 CE LYS A 456 0.695 6.411 -10.004 1.00 0.00 C ATOM 592 NZ LYS A 456 0.595 7.705 -10.738 1.00 0.00 N ATOM 0 H LYS A 456 -0.609 2.698 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 456 1.683 2.717 -7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 456 -0.142 4.493 -8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 456 0.285 5.221 -6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 456 2.655 5.453 -7.327 1.00 0.00 H new ATOM 0 HG3 LYS A 456 2.289 4.643 -8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 456 0.823 7.184 -7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 456 2.336 7.248 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 456 1.213 5.672 -10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 456 -0.301 6.016 -9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 0.082 7.559 -11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 0.083 8.397 -10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 1.550 8.063 -10.942 1.00 0.00 H new ATOM 606 N VAL A 457 3.219 3.185 -5.702 1.00 0.00 N ATOM 607 CA VAL A 457 4.121 3.331 -4.513 1.00 0.00 C ATOM 608 C VAL A 457 5.184 4.390 -4.817 1.00 0.00 C ATOM 609 O VAL A 457 5.818 4.368 -5.854 1.00 0.00 O ATOM 610 CB VAL A 457 4.793 1.981 -4.231 1.00 0.00 C ATOM 611 CG1 VAL A 457 5.922 2.155 -3.210 1.00 0.00 C ATOM 612 CG2 VAL A 457 3.749 1.012 -3.670 1.00 0.00 C ATOM 0 H VAL A 457 3.691 2.903 -6.561 1.00 0.00 H new ATOM 0 HA VAL A 457 3.547 3.640 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 457 5.211 1.588 -5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 457 6.391 1.190 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 457 6.665 2.848 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 457 5.514 2.551 -2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 457 4.218 0.049 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 457 3.336 1.417 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 457 2.948 0.879 -4.397 1.00 0.00 H new ATOM 622 N ASN A 458 5.382 5.320 -3.923 1.00 0.00 N ATOM 623 CA ASN A 458 6.401 6.379 -4.163 1.00 0.00 C ATOM 624 C ASN A 458 6.086 7.096 -5.478 1.00 0.00 C ATOM 625 O ASN A 458 6.960 7.347 -6.284 1.00 0.00 O ATOM 626 CB ASN A 458 7.794 5.750 -4.245 1.00 0.00 C ATOM 627 CG ASN A 458 8.855 6.849 -4.130 1.00 0.00 C ATOM 628 OD1 ASN A 458 9.376 7.115 -2.963 1.00 0.00 O flip ATOM 629 ND2 ASN A 458 9.208 7.473 -5.110 1.00 0.00 N flip ATOM 0 H ASN A 458 4.882 5.392 -3.037 1.00 0.00 H new ATOM 0 HA ASN A 458 6.379 7.094 -3.341 1.00 0.00 H new ATOM 0 HB2 ASN A 458 7.923 5.019 -3.446 1.00 0.00 H new ATOM 0 HB3 ASN A 458 7.909 5.215 -5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 458 8.800 7.264 -6.021 1.00 0.00 H new ATOM 0 HD22 ASN A 458 9.912 8.206 -5.022 1.00 0.00 H new ATOM 636 N HIS A 459 4.840 7.425 -5.697 1.00 0.00 N ATOM 637 CA HIS A 459 4.453 8.130 -6.955 1.00 0.00 C ATOM 638 C HIS A 459 4.937 7.341 -8.177 1.00 0.00 C ATOM 639 O HIS A 459 4.966 7.855 -9.276 1.00 0.00 O ATOM 640 CB HIS A 459 5.073 9.529 -6.973 1.00 0.00 C ATOM 641 CG HIS A 459 4.511 10.334 -5.835 1.00 0.00 C ATOM 642 ND1 HIS A 459 3.212 10.813 -5.841 1.00 0.00 N ATOM 643 CD2 HIS A 459 5.059 10.748 -4.647 1.00 0.00 C ATOM 644 CE1 HIS A 459 3.021 11.483 -4.690 1.00 0.00 C ATOM 645 NE2 HIS A 459 4.117 11.474 -3.925 1.00 0.00 N ATOM 0 H HIS A 459 4.070 7.235 -5.056 1.00 0.00 H new ATOM 0 HA HIS A 459 3.367 8.211 -6.992 1.00 0.00 H new ATOM 0 HB2 HIS A 459 6.157 9.460 -6.885 1.00 0.00 H new ATOM 0 HB3 HIS A 459 4.861 10.021 -7.922 1.00 0.00 H new ATOM 0 HD2 HIS A 459 6.068 10.542 -4.322 1.00 0.00 H new ATOM 0 HE1 HIS A 459 2.096 11.969 -4.418 1.00 0.00 H new ATOM 0 HE2 HIS A 459 4.237 11.906 -3.009 1.00 0.00 H new ATOM 653 N LYS A 460 5.308 6.095 -7.993 1.00 0.00 N ATOM 654 CA LYS A 460 5.785 5.260 -9.145 1.00 0.00 C ATOM 655 C LYS A 460 4.787 4.125 -9.393 1.00 0.00 C ATOM 656 O LYS A 460 4.301 3.498 -8.474 1.00 0.00 O ATOM 657 CB LYS A 460 7.156 4.664 -8.810 1.00 0.00 C ATOM 658 CG LYS A 460 7.691 3.900 -10.029 1.00 0.00 C ATOM 659 CD LYS A 460 9.076 3.311 -9.724 1.00 0.00 C ATOM 660 CE LYS A 460 10.148 4.410 -9.758 1.00 0.00 C ATOM 661 NZ LYS A 460 11.500 3.781 -9.790 1.00 0.00 N ATOM 0 H LYS A 460 5.301 5.618 -7.091 1.00 0.00 H new ATOM 0 HA LYS A 460 5.866 5.881 -10.037 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.851 5.456 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.074 3.994 -7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 460 7.000 3.101 -10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 460 7.754 4.569 -10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 460 9.067 2.834 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 460 9.317 2.537 -10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 460 10.008 5.043 -10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 460 10.054 5.052 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 12.228 4.523 -9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 11.630 3.195 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 11.586 3.186 -10.638 1.00 0.00 H new ATOM 675 N LEU A 461 4.476 3.862 -10.632 1.00 0.00 N ATOM 676 CA LEU A 461 3.508 2.773 -10.950 1.00 0.00 C ATOM 677 C LEU A 461 4.114 1.415 -10.584 1.00 0.00 C ATOM 678 O LEU A 461 5.258 1.135 -10.880 1.00 0.00 O ATOM 679 CB LEU A 461 3.186 2.814 -12.450 1.00 0.00 C ATOM 680 CG LEU A 461 2.258 1.651 -12.839 1.00 0.00 C ATOM 681 CD1 LEU A 461 0.978 1.682 -11.989 1.00 0.00 C ATOM 682 CD2 LEU A 461 1.893 1.787 -14.322 1.00 0.00 C ATOM 0 H LEU A 461 4.852 4.356 -11.442 1.00 0.00 H new ATOM 0 HA LEU A 461 2.593 2.915 -10.375 1.00 0.00 H new ATOM 0 HB2 LEU A 461 2.712 3.763 -12.699 1.00 0.00 H new ATOM 0 HB3 LEU A 461 4.109 2.758 -13.027 1.00 0.00 H new ATOM 0 HG LEU A 461 2.769 0.705 -12.663 1.00 0.00 H new ATOM 0 HD11 LEU A 461 0.331 0.853 -12.275 1.00 0.00 H new ATOM 0 HD12 LEU A 461 1.239 1.591 -10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 461 0.455 2.624 -12.153 1.00 0.00 H new ATOM 0 HD21 LEU A 461 1.235 0.968 -14.611 1.00 0.00 H new ATOM 0 HD22 LEU A 461 1.384 2.737 -14.486 1.00 0.00 H new ATOM 0 HD23 LEU A 461 2.801 1.753 -14.925 1.00 0.00 H new ATOM 694 N VAL A 462 3.350 0.564 -9.946 1.00 0.00 N ATOM 695 CA VAL A 462 3.869 -0.784 -9.564 1.00 0.00 C ATOM 696 C VAL A 462 2.704 -1.789 -9.570 1.00 0.00 C ATOM 697 O VAL A 462 1.569 -1.419 -9.341 1.00 0.00 O ATOM 698 CB VAL A 462 4.486 -0.713 -8.161 1.00 0.00 C ATOM 699 CG1 VAL A 462 5.878 -0.079 -8.240 1.00 0.00 C ATOM 700 CG2 VAL A 462 3.595 0.137 -7.253 1.00 0.00 C ATOM 0 H VAL A 462 2.385 0.747 -9.672 1.00 0.00 H new ATOM 0 HA VAL A 462 4.631 -1.104 -10.274 1.00 0.00 H new ATOM 0 HB VAL A 462 4.569 -1.721 -7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 462 6.313 -0.030 -7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 462 6.517 -0.683 -8.885 1.00 0.00 H new ATOM 0 HG13 VAL A 462 5.797 0.928 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 462 4.034 0.187 -6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 462 3.511 1.143 -7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 462 2.604 -0.313 -7.191 1.00 0.00 H new ATOM 710 N PRO A 463 2.971 -3.049 -9.832 1.00 0.00 N ATOM 711 CA PRO A 463 1.910 -4.104 -9.871 1.00 0.00 C ATOM 712 C PRO A 463 1.309 -4.389 -8.486 1.00 0.00 C ATOM 713 O PRO A 463 1.871 -4.042 -7.465 1.00 0.00 O ATOM 714 CB PRO A 463 2.642 -5.339 -10.427 1.00 0.00 C ATOM 715 CG PRO A 463 4.078 -5.125 -10.074 1.00 0.00 C ATOM 716 CD PRO A 463 4.304 -3.613 -10.128 1.00 0.00 C ATOM 0 HA PRO A 463 1.058 -3.800 -10.479 1.00 0.00 H new ATOM 0 HB2 PRO A 463 2.259 -6.258 -9.984 1.00 0.00 H new ATOM 0 HB3 PRO A 463 2.509 -5.425 -11.505 1.00 0.00 H new ATOM 0 HG2 PRO A 463 4.299 -5.517 -9.081 1.00 0.00 H new ATOM 0 HG3 PRO A 463 4.733 -5.643 -10.774 1.00 0.00 H new ATOM 0 HD2 PRO A 463 5.046 -3.293 -9.396 1.00 0.00 H new ATOM 0 HD3 PRO A 463 4.664 -3.297 -11.107 1.00 0.00 H new ATOM 724 N LEU A 464 0.159 -5.007 -8.456 1.00 0.00 N ATOM 725 CA LEU A 464 -0.506 -5.312 -7.157 1.00 0.00 C ATOM 726 C LEU A 464 0.386 -6.246 -6.331 1.00 0.00 C ATOM 727 O LEU A 464 0.506 -6.102 -5.131 1.00 0.00 O ATOM 728 CB LEU A 464 -1.850 -6.002 -7.433 1.00 0.00 C ATOM 729 CG LEU A 464 -2.904 -4.955 -7.810 1.00 0.00 C ATOM 730 CD1 LEU A 464 -2.478 -4.240 -9.095 1.00 0.00 C ATOM 731 CD2 LEU A 464 -4.251 -5.649 -8.037 1.00 0.00 C ATOM 0 H LEU A 464 -0.352 -5.316 -9.283 1.00 0.00 H new ATOM 0 HA LEU A 464 -0.671 -4.388 -6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.738 -6.726 -8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -2.173 -6.555 -6.551 1.00 0.00 H new ATOM 0 HG LEU A 464 -2.998 -4.228 -7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -3.228 -3.496 -9.363 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -1.518 -3.748 -8.937 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -2.384 -4.967 -9.902 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -5.002 -4.906 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -4.155 -6.375 -8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -4.556 -6.160 -7.124 1.00 0.00 H new ATOM 743 N SER A 465 1.003 -7.208 -6.963 1.00 0.00 N ATOM 744 CA SER A 465 1.875 -8.158 -6.213 1.00 0.00 C ATOM 745 C SER A 465 3.193 -7.471 -5.852 1.00 0.00 C ATOM 746 O SER A 465 4.130 -8.101 -5.404 1.00 0.00 O ATOM 747 CB SER A 465 2.161 -9.379 -7.087 1.00 0.00 C ATOM 748 OG SER A 465 2.960 -8.986 -8.194 1.00 0.00 O ATOM 0 H SER A 465 0.941 -7.377 -7.967 1.00 0.00 H new ATOM 0 HA SER A 465 1.369 -8.471 -5.300 1.00 0.00 H new ATOM 0 HB2 SER A 465 2.675 -10.144 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 465 1.226 -9.818 -7.436 1.00 0.00 H new ATOM 0 HG SER A 465 3.147 -9.767 -8.756 1.00 0.00 H new ATOM 754 N TYR A 466 3.274 -6.185 -6.045 1.00 0.00 N ATOM 755 CA TYR A 466 4.533 -5.460 -5.715 1.00 0.00 C ATOM 756 C TYR A 466 4.755 -5.475 -4.199 1.00 0.00 C ATOM 757 O TYR A 466 3.846 -5.252 -3.424 1.00 0.00 O ATOM 758 CB TYR A 466 4.425 -4.014 -6.201 1.00 0.00 C ATOM 759 CG TYR A 466 5.689 -3.267 -5.847 1.00 0.00 C ATOM 760 CD1 TYR A 466 6.852 -3.462 -6.603 1.00 0.00 C ATOM 761 CD2 TYR A 466 5.699 -2.379 -4.764 1.00 0.00 C ATOM 762 CE1 TYR A 466 8.024 -2.770 -6.275 1.00 0.00 C ATOM 763 CE2 TYR A 466 6.872 -1.687 -4.436 1.00 0.00 C ATOM 764 CZ TYR A 466 8.034 -1.882 -5.192 1.00 0.00 C ATOM 765 OH TYR A 466 9.189 -1.201 -4.869 1.00 0.00 O ATOM 0 H TYR A 466 2.523 -5.604 -6.417 1.00 0.00 H new ATOM 0 HA TYR A 466 5.374 -5.950 -6.206 1.00 0.00 H new ATOM 0 HB2 TYR A 466 4.267 -3.993 -7.279 1.00 0.00 H new ATOM 0 HB3 TYR A 466 3.563 -3.529 -5.743 1.00 0.00 H new ATOM 0 HD1 TYR A 466 6.845 -4.146 -7.439 1.00 0.00 H new ATOM 0 HD2 TYR A 466 4.802 -2.228 -4.182 1.00 0.00 H new ATOM 0 HE1 TYR A 466 8.921 -2.921 -6.857 1.00 0.00 H new ATOM 0 HE2 TYR A 466 6.880 -1.003 -3.600 1.00 0.00 H new ATOM 0 HH TYR A 466 9.024 -0.626 -4.093 1.00 0.00 H new ATOM 775 N VAL A 467 5.962 -5.742 -3.772 1.00 0.00 N ATOM 776 CA VAL A 467 6.250 -5.779 -2.308 1.00 0.00 C ATOM 777 C VAL A 467 6.388 -4.350 -1.773 1.00 0.00 C ATOM 778 O VAL A 467 7.070 -3.522 -2.345 1.00 0.00 O ATOM 779 CB VAL A 467 7.549 -6.550 -2.068 1.00 0.00 C ATOM 780 CG1 VAL A 467 7.935 -6.464 -0.589 1.00 0.00 C ATOM 781 CG2 VAL A 467 7.344 -8.018 -2.452 1.00 0.00 C ATOM 0 H VAL A 467 6.761 -5.936 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 467 5.432 -6.276 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 467 8.344 -6.117 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 467 8.861 -7.014 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 467 8.078 -5.420 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 467 7.141 -6.896 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 467 8.268 -8.571 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 467 6.548 -8.446 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 467 7.070 -8.084 -3.505 1.00 0.00 H new ATOM 791 N LEU A 468 5.739 -4.057 -0.679 1.00 0.00 N ATOM 792 CA LEU A 468 5.817 -2.683 -0.101 1.00 0.00 C ATOM 793 C LEU A 468 7.176 -2.483 0.579 1.00 0.00 C ATOM 794 O LEU A 468 7.765 -3.413 1.092 1.00 0.00 O ATOM 795 CB LEU A 468 4.699 -2.507 0.930 1.00 0.00 C ATOM 796 CG LEU A 468 3.343 -2.798 0.275 1.00 0.00 C ATOM 797 CD1 LEU A 468 2.233 -2.662 1.323 1.00 0.00 C ATOM 798 CD2 LEU A 468 3.097 -1.808 -0.879 1.00 0.00 C ATOM 0 H LEU A 468 5.156 -4.712 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 468 5.703 -1.947 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 468 4.859 -3.180 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 468 4.712 -1.491 1.326 1.00 0.00 H new ATOM 0 HG LEU A 468 3.343 -3.813 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 468 1.268 -2.868 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 468 2.407 -3.372 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 468 2.234 -1.649 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 468 2.132 -2.020 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 468 3.098 -0.789 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 468 3.886 -1.914 -1.623 1.00 0.00 H new ATOM 810 N ASN A 469 7.676 -1.268 0.581 1.00 0.00 N ATOM 811 CA ASN A 469 9.002 -0.980 1.222 1.00 0.00 C ATOM 812 C ASN A 469 8.829 0.109 2.290 1.00 0.00 C ATOM 813 O ASN A 469 8.018 1.004 2.156 1.00 0.00 O ATOM 814 CB ASN A 469 9.984 -0.499 0.151 1.00 0.00 C ATOM 815 CG ASN A 469 10.277 -1.643 -0.826 1.00 0.00 C ATOM 816 OD1 ASN A 469 10.028 -2.876 -0.470 1.00 0.00 O flip ATOM 817 ND2 ASN A 469 10.736 -1.413 -1.927 1.00 0.00 N flip ATOM 0 H ASN A 469 7.219 -0.458 0.163 1.00 0.00 H new ATOM 0 HA ASN A 469 9.388 -1.885 1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 469 9.565 0.353 -0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 469 10.909 -0.159 0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 469 10.931 -0.452 -2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 469 10.926 -2.181 -2.571 1.00 0.00 H new ATOM 824 N SER A 470 9.581 0.026 3.357 1.00 0.00 N ATOM 825 CA SER A 470 9.462 1.037 4.451 1.00 0.00 C ATOM 826 C SER A 470 9.898 2.420 3.956 1.00 0.00 C ATOM 827 O SER A 470 10.817 2.549 3.172 1.00 0.00 O ATOM 828 CB SER A 470 10.356 0.619 5.621 1.00 0.00 C ATOM 829 OG SER A 470 10.320 1.624 6.627 1.00 0.00 O ATOM 0 H SER A 470 10.276 -0.703 3.519 1.00 0.00 H new ATOM 0 HA SER A 470 8.421 1.089 4.770 1.00 0.00 H new ATOM 0 HB2 SER A 470 10.017 -0.333 6.030 1.00 0.00 H new ATOM 0 HB3 SER A 470 11.379 0.471 5.276 1.00 0.00 H new ATOM 0 HG SER A 470 10.891 1.356 7.377 1.00 0.00 H new ATOM 835 N GLY A 471 9.248 3.458 4.423 1.00 0.00 N ATOM 836 CA GLY A 471 9.623 4.844 4.002 1.00 0.00 C ATOM 837 C GLY A 471 8.840 5.242 2.750 1.00 0.00 C ATOM 838 O GLY A 471 8.383 6.360 2.624 1.00 0.00 O ATOM 0 H GLY A 471 8.470 3.404 5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 471 9.415 5.546 4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 471 10.693 4.895 3.803 1.00 0.00 H new ATOM 842 N ASP A 472 8.683 4.338 1.825 1.00 0.00 N ATOM 843 CA ASP A 472 7.932 4.667 0.581 1.00 0.00 C ATOM 844 C ASP A 472 6.444 4.828 0.901 1.00 0.00 C ATOM 845 O ASP A 472 5.904 4.148 1.751 1.00 0.00 O ATOM 846 CB ASP A 472 8.117 3.542 -0.438 1.00 0.00 C ATOM 847 CG ASP A 472 9.544 3.579 -0.988 1.00 0.00 C ATOM 848 OD1 ASP A 472 10.209 4.583 -0.791 1.00 0.00 O ATOM 849 OD2 ASP A 472 9.948 2.604 -1.600 1.00 0.00 O ATOM 0 H ASP A 472 9.042 3.385 1.876 1.00 0.00 H new ATOM 0 HA ASP A 472 8.313 5.601 0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 472 7.922 2.577 0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 472 7.400 3.652 -1.251 1.00 0.00 H new ATOM 854 N GLN A 473 5.773 5.721 0.222 1.00 0.00 N ATOM 855 CA GLN A 473 4.318 5.926 0.481 1.00 0.00 C ATOM 856 C GLN A 473 3.513 4.957 -0.385 1.00 0.00 C ATOM 857 O GLN A 473 3.935 4.582 -1.461 1.00 0.00 O ATOM 858 CB GLN A 473 3.938 7.365 0.125 1.00 0.00 C ATOM 859 CG GLN A 473 2.445 7.585 0.376 1.00 0.00 C ATOM 860 CD GLN A 473 2.107 9.066 0.189 1.00 0.00 C ATOM 861 OE1 GLN A 473 2.987 9.904 0.183 1.00 0.00 O ATOM 862 NE2 GLN A 473 0.862 9.428 0.035 1.00 0.00 N ATOM 0 H GLN A 473 6.171 6.318 -0.502 1.00 0.00 H new ATOM 0 HA GLN A 473 4.101 5.743 1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 473 4.523 8.064 0.723 1.00 0.00 H new ATOM 0 HB3 GLN A 473 4.174 7.565 -0.920 1.00 0.00 H new ATOM 0 HG2 GLN A 473 1.857 6.977 -0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 473 2.185 7.267 1.385 1.00 0.00 H new ATOM 0 HE21 GLN A 473 0.122 8.726 0.040 1.00 0.00 H new ATOM 0 HE22 GLN A 473 0.629 10.413 -0.090 1.00 0.00 H new ATOM 871 N VAL A 474 2.359 4.544 0.080 1.00 0.00 N ATOM 872 CA VAL A 474 1.510 3.588 -0.703 1.00 0.00 C ATOM 873 C VAL A 474 0.178 4.253 -1.048 1.00 0.00 C ATOM 874 O VAL A 474 -0.483 4.818 -0.198 1.00 0.00 O ATOM 875 CB VAL A 474 1.246 2.338 0.141 1.00 0.00 C ATOM 876 CG1 VAL A 474 0.388 1.351 -0.653 1.00 0.00 C ATOM 877 CG2 VAL A 474 2.576 1.676 0.499 1.00 0.00 C ATOM 0 H VAL A 474 1.965 4.830 0.976 1.00 0.00 H new ATOM 0 HA VAL A 474 2.027 3.310 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 474 0.721 2.624 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 474 0.202 0.463 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -0.562 1.820 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 474 0.911 1.066 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 474 2.389 0.786 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 474 3.100 1.394 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 474 3.189 2.375 1.067 1.00 0.00 H new ATOM 887 N GLU A 475 -0.223 4.179 -2.291 1.00 0.00 N ATOM 888 CA GLU A 475 -1.521 4.791 -2.719 1.00 0.00 C ATOM 889 C GLU A 475 -2.301 3.764 -3.541 1.00 0.00 C ATOM 890 O GLU A 475 -1.741 3.056 -4.353 1.00 0.00 O ATOM 891 CB GLU A 475 -1.244 6.031 -3.573 1.00 0.00 C ATOM 892 CG GLU A 475 -2.567 6.693 -3.965 1.00 0.00 C ATOM 893 CD GLU A 475 -2.281 7.976 -4.750 1.00 0.00 C ATOM 894 OE1 GLU A 475 -1.152 8.433 -4.707 1.00 0.00 O ATOM 895 OE2 GLU A 475 -3.197 8.478 -5.381 1.00 0.00 O ATOM 0 H GLU A 475 0.297 3.716 -3.036 1.00 0.00 H new ATOM 0 HA GLU A 475 -2.102 5.083 -1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 475 -0.624 6.735 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 475 -0.687 5.752 -4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 475 -3.163 6.009 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 475 -3.150 6.922 -3.073 1.00 0.00 H new ATOM 902 N VAL A 476 -3.592 3.676 -3.330 1.00 0.00 N ATOM 903 CA VAL A 476 -4.427 2.690 -4.089 1.00 0.00 C ATOM 904 C VAL A 476 -5.312 3.437 -5.088 1.00 0.00 C ATOM 905 O VAL A 476 -5.984 4.390 -4.749 1.00 0.00 O ATOM 906 CB VAL A 476 -5.304 1.902 -3.110 1.00 0.00 C ATOM 907 CG1 VAL A 476 -4.438 0.892 -2.355 1.00 0.00 C ATOM 908 CG2 VAL A 476 -5.954 2.859 -2.107 1.00 0.00 C ATOM 0 H VAL A 476 -4.107 4.248 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 476 -3.778 1.999 -4.627 1.00 0.00 H new ATOM 0 HB VAL A 476 -6.083 1.380 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.059 0.330 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -3.977 0.205 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -3.660 1.420 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -6.576 2.292 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.178 3.385 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -6.571 3.582 -2.641 1.00 0.00 H new ATOM 918 N LEU A 477 -5.310 3.012 -6.322 1.00 0.00 N ATOM 919 CA LEU A 477 -6.140 3.696 -7.356 1.00 0.00 C ATOM 920 C LEU A 477 -7.536 3.069 -7.385 1.00 0.00 C ATOM 921 O LEU A 477 -7.686 1.864 -7.341 1.00 0.00 O ATOM 922 CB LEU A 477 -5.478 3.532 -8.728 1.00 0.00 C ATOM 923 CG LEU A 477 -4.052 4.100 -8.689 1.00 0.00 C ATOM 924 CD1 LEU A 477 -3.380 3.872 -10.047 1.00 0.00 C ATOM 925 CD2 LEU A 477 -4.095 5.608 -8.377 1.00 0.00 C ATOM 0 H LEU A 477 -4.767 2.217 -6.660 1.00 0.00 H new ATOM 0 HA LEU A 477 -6.223 4.756 -7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.452 2.478 -9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -6.064 4.048 -9.489 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.482 3.594 -7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.367 4.274 -10.024 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.342 2.804 -10.259 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -3.953 4.376 -10.826 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.080 6.003 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -4.665 6.123 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -4.571 5.766 -7.409 1.00 0.00 H new ATOM 937 N SER A 478 -8.558 3.886 -7.456 1.00 0.00 N ATOM 938 CA SER A 478 -9.963 3.365 -7.486 1.00 0.00 C ATOM 939 C SER A 478 -10.719 4.006 -8.653 1.00 0.00 C ATOM 940 O SER A 478 -10.367 5.068 -9.127 1.00 0.00 O ATOM 941 CB SER A 478 -10.664 3.724 -6.174 1.00 0.00 C ATOM 942 OG SER A 478 -10.093 2.967 -5.115 1.00 0.00 O ATOM 0 H SER A 478 -8.479 4.902 -7.495 1.00 0.00 H new ATOM 0 HA SER A 478 -9.947 2.282 -7.611 1.00 0.00 H new ATOM 0 HB2 SER A 478 -10.559 4.790 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 478 -11.731 3.517 -6.250 1.00 0.00 H new ATOM 0 HG SER A 478 -10.471 2.063 -5.118 1.00 0.00 H new