USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 571 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 512 TYR OH : rot 180:sc= 0.424 USER MOD Set 1.2: A 526 GLN : amide:sc= 1.65 K(o=2.1,f=-6.5!) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 460 SER OG : rot 67:sc= 1.2 USER MOD Single : A 486 TYR OH : rot 180:sc= 0 USER MOD Single : A 492 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.14) USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot -74:sc= 0.458 USER MOD Single : A 498 GLN : amide:sc= 0.152 X(o=0.15,f=-0.064) USER MOD Single : A 504 CYS SG : rot 68:sc= 0.661 USER MOD Single : A 514 CYS SG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot -31:sc= 0.91 USER MOD Single : A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 521 LYS NZ :NH3+ 180:sc= 1.12 (180deg=1.12) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 441 -1.175 13.700 -8.334 1.00 0.00 N ATOM 80 CA ARG A 441 -1.198 12.286 -8.745 1.00 0.00 C ATOM 81 C ARG A 441 -0.252 11.402 -7.919 1.00 0.00 C ATOM 82 O ARG A 441 -0.275 10.178 -8.066 1.00 0.00 O ATOM 83 CB ARG A 441 -0.916 12.137 -10.247 1.00 0.00 C ATOM 84 CG ARG A 441 -1.985 12.852 -11.086 1.00 0.00 C ATOM 85 CD ARG A 441 -2.100 12.287 -12.503 1.00 0.00 C ATOM 86 NE ARG A 441 -0.878 12.473 -13.298 1.00 0.00 N ATOM 87 CZ ARG A 441 -0.707 13.309 -14.317 1.00 0.00 C ATOM 88 NH1 ARG A 441 -1.656 14.113 -14.757 1.00 0.00 N ATOM 89 NH2 ARG A 441 0.461 13.349 -14.924 1.00 0.00 N ATOM 0 HA ARG A 441 -2.209 11.930 -8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 441 0.067 12.548 -10.478 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -0.889 11.080 -10.512 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.950 12.767 -10.586 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -1.747 13.914 -11.141 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.331 11.223 -12.446 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.935 12.768 -13.013 1.00 0.00 H new ATOM 0 HE ARG A 441 -0.075 11.899 -13.040 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.573 14.112 -14.311 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -1.473 14.736 -15.544 1.00 0.00 H new ATOM 0 HH21 ARG A 441 1.220 12.743 -14.611 1.00 0.00 H new ATOM 0 HH22 ARG A 441 0.607 13.986 -15.708 1.00 0.00 H new ATOM 103 N LYS A 442 0.570 11.990 -7.043 1.00 0.00 N ATOM 104 CA LYS A 442 1.350 11.251 -6.049 1.00 0.00 C ATOM 105 C LYS A 442 0.452 10.788 -4.882 1.00 0.00 C ATOM 106 O LYS A 442 -0.326 11.580 -4.349 1.00 0.00 O ATOM 107 CB LYS A 442 2.544 12.110 -5.589 1.00 0.00 C ATOM 108 CG LYS A 442 3.468 11.331 -4.632 1.00 0.00 C ATOM 109 CD LYS A 442 4.810 12.032 -4.378 1.00 0.00 C ATOM 110 CE LYS A 442 4.638 13.323 -3.567 1.00 0.00 C ATOM 111 NZ LYS A 442 5.946 13.959 -3.256 1.00 0.00 N ATOM 0 H LYS A 442 0.712 12.999 -7.005 1.00 0.00 H new ATOM 0 HA LYS A 442 1.755 10.343 -6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 442 3.113 12.438 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 442 2.177 13.007 -5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 442 2.956 11.187 -3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 442 3.656 10.340 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 442 5.478 11.355 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 442 5.285 12.263 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 442 4.017 14.023 -4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 442 4.112 13.101 -2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 5.788 14.828 -2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 6.529 13.300 -2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 6.437 14.194 -4.142 1.00 0.00 H new ATOM 125 N VAL A 443 0.572 9.526 -4.464 1.00 0.00 N ATOM 126 CA VAL A 443 -0.175 8.948 -3.329 1.00 0.00 C ATOM 127 C VAL A 443 0.758 8.068 -2.494 1.00 0.00 C ATOM 128 O VAL A 443 1.267 7.064 -2.984 1.00 0.00 O ATOM 129 CB VAL A 443 -1.406 8.131 -3.800 1.00 0.00 C ATOM 130 CG1 VAL A 443 -2.198 7.586 -2.599 1.00 0.00 C ATOM 131 CG2 VAL A 443 -2.360 8.946 -4.692 1.00 0.00 C ATOM 0 H VAL A 443 1.202 8.859 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 443 -0.548 9.771 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.006 7.308 -4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.056 7.017 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -1.555 6.938 -2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -2.545 8.417 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -3.202 8.321 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -2.727 9.810 -4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.827 9.285 -5.580 1.00 0.00 H new ATOM 141 N PHE A 444 0.976 8.436 -1.230 1.00 0.00 N ATOM 142 CA PHE A 444 1.715 7.625 -0.259 1.00 0.00 C ATOM 143 C PHE A 444 0.872 6.416 0.185 1.00 0.00 C ATOM 144 O PHE A 444 -0.335 6.542 0.403 1.00 0.00 O ATOM 145 CB PHE A 444 2.117 8.524 0.925 1.00 0.00 C ATOM 146 CG PHE A 444 2.707 7.819 2.140 1.00 0.00 C ATOM 147 CD1 PHE A 444 1.876 7.126 3.046 1.00 0.00 C ATOM 148 CD2 PHE A 444 4.089 7.890 2.396 1.00 0.00 C ATOM 149 CE1 PHE A 444 2.420 6.517 4.190 1.00 0.00 C ATOM 150 CE2 PHE A 444 4.631 7.293 3.548 1.00 0.00 C ATOM 151 CZ PHE A 444 3.798 6.601 4.444 1.00 0.00 C ATOM 0 H PHE A 444 0.639 9.319 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 444 2.621 7.222 -0.711 1.00 0.00 H new ATOM 0 HB2 PHE A 444 2.843 9.255 0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 444 1.236 9.080 1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.814 7.063 2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 444 4.737 8.406 1.703 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.777 5.984 4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 444 5.690 7.366 3.745 1.00 0.00 H new ATOM 0 HZ PHE A 444 4.216 6.136 5.324 1.00 0.00 H new ATOM 161 N VAL A 445 1.522 5.262 0.356 1.00 0.00 N ATOM 162 CA VAL A 445 0.924 4.009 0.845 1.00 0.00 C ATOM 163 C VAL A 445 1.821 3.408 1.924 1.00 0.00 C ATOM 164 O VAL A 445 2.977 3.094 1.642 1.00 0.00 O ATOM 165 CB VAL A 445 0.725 2.989 -0.296 1.00 0.00 C ATOM 166 CG1 VAL A 445 0.121 1.664 0.202 1.00 0.00 C ATOM 167 CG2 VAL A 445 -0.180 3.572 -1.384 1.00 0.00 C ATOM 0 H VAL A 445 2.517 5.167 0.151 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.058 4.240 1.259 1.00 0.00 H new ATOM 0 HB VAL A 445 1.714 2.780 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 445 0.001 0.980 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 445 0.785 1.217 0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.851 1.855 0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -0.310 2.839 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.152 3.818 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 445 0.276 4.474 -1.792 1.00 0.00 H new ATOM 177 N GLY A 446 1.292 3.251 3.143 1.00 0.00 N ATOM 178 CA GLY A 446 2.024 2.748 4.315 1.00 0.00 C ATOM 179 C GLY A 446 1.497 1.414 4.843 1.00 0.00 C ATOM 180 O GLY A 446 0.291 1.173 4.834 1.00 0.00 O ATOM 0 H GLY A 446 0.318 3.475 3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 446 3.076 2.635 4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 446 1.971 3.490 5.111 1.00 0.00 H new ATOM 184 N GLY A 447 2.400 0.562 5.342 1.00 0.00 N ATOM 185 CA GLY A 447 2.096 -0.773 5.885 1.00 0.00 C ATOM 186 C GLY A 447 2.337 -1.923 4.900 1.00 0.00 C ATOM 187 O GLY A 447 1.804 -3.015 5.103 1.00 0.00 O ATOM 0 H GLY A 447 3.394 0.787 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 447 2.704 -0.938 6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 447 1.054 -0.795 6.203 1.00 0.00 H new ATOM 191 N LEU A 448 3.109 -1.691 3.831 1.00 0.00 N ATOM 192 CA LEU A 448 3.413 -2.683 2.790 1.00 0.00 C ATOM 193 C LEU A 448 4.171 -3.898 3.381 1.00 0.00 C ATOM 194 O LEU A 448 5.041 -3.694 4.238 1.00 0.00 O ATOM 195 CB LEU A 448 4.236 -2.011 1.671 1.00 0.00 C ATOM 196 CG LEU A 448 3.453 -0.987 0.821 1.00 0.00 C ATOM 197 CD1 LEU A 448 4.422 -0.216 -0.083 1.00 0.00 C ATOM 198 CD2 LEU A 448 2.391 -1.658 -0.065 1.00 0.00 C ATOM 0 H LEU A 448 3.550 -0.787 3.661 1.00 0.00 H new ATOM 0 HA LEU A 448 2.478 -3.057 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.094 -1.510 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 448 4.628 -2.786 1.012 1.00 0.00 H new ATOM 0 HG LEU A 448 2.948 -0.315 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.866 0.506 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.153 0.309 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 448 4.937 -0.914 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 448 1.867 -0.898 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 448 2.874 -2.361 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 448 1.678 -2.192 0.563 1.00 0.00 H new ATOM 210 N PRO A 449 3.873 -5.143 2.940 1.00 0.00 N ATOM 211 CA PRO A 449 4.579 -6.355 3.369 1.00 0.00 C ATOM 212 C PRO A 449 6.108 -6.291 3.177 1.00 0.00 C ATOM 213 O PRO A 449 6.581 -5.558 2.307 1.00 0.00 O ATOM 214 CB PRO A 449 3.977 -7.493 2.535 1.00 0.00 C ATOM 215 CG PRO A 449 2.555 -7.012 2.268 1.00 0.00 C ATOM 216 CD PRO A 449 2.752 -5.511 2.079 1.00 0.00 C ATOM 0 HA PRO A 449 4.448 -6.496 4.442 1.00 0.00 H new ATOM 0 HB2 PRO A 449 4.530 -7.650 1.609 1.00 0.00 H new ATOM 0 HB3 PRO A 449 3.987 -8.439 3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 449 2.126 -7.481 1.382 1.00 0.00 H new ATOM 0 HG3 PRO A 449 1.887 -7.233 3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 449 2.965 -5.273 1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 449 1.852 -4.961 2.353 1.00 0.00 H new ATOM 224 N PRO A 450 6.892 -7.083 3.939 1.00 0.00 N ATOM 225 CA PRO A 450 8.353 -7.128 3.840 1.00 0.00 C ATOM 226 C PRO A 450 8.862 -7.942 2.631 1.00 0.00 C ATOM 227 O PRO A 450 10.072 -8.099 2.469 1.00 0.00 O ATOM 228 CB PRO A 450 8.805 -7.742 5.170 1.00 0.00 C ATOM 229 CG PRO A 450 7.679 -8.723 5.487 1.00 0.00 C ATOM 230 CD PRO A 450 6.438 -7.982 4.993 1.00 0.00 C ATOM 0 HA PRO A 450 8.766 -6.134 3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 450 9.767 -8.246 5.077 1.00 0.00 H new ATOM 0 HB3 PRO A 450 8.915 -6.987 5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 450 7.814 -9.674 4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 450 7.622 -8.943 6.553 1.00 0.00 H new ATOM 0 HD2 PRO A 450 5.693 -8.681 4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 450 5.969 -7.425 5.804 1.00 0.00 H new ATOM 238 N ASP A 451 7.963 -8.460 1.785 1.00 0.00 N ATOM 239 CA ASP A 451 8.259 -9.359 0.660 1.00 0.00 C ATOM 240 C ASP A 451 7.399 -9.019 -0.578 1.00 0.00 C ATOM 241 O ASP A 451 6.859 -9.894 -1.256 1.00 0.00 O ATOM 242 CB ASP A 451 8.119 -10.820 1.133 1.00 0.00 C ATOM 243 CG ASP A 451 8.696 -11.842 0.135 1.00 0.00 C ATOM 244 OD1 ASP A 451 9.806 -11.608 -0.403 1.00 0.00 O ATOM 245 OD2 ASP A 451 8.069 -12.909 -0.065 1.00 0.00 O ATOM 0 H ASP A 451 6.967 -8.256 1.868 1.00 0.00 H new ATOM 0 HA ASP A 451 9.289 -9.218 0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 451 8.624 -10.934 2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.065 -11.041 1.300 1.00 0.00 H new ATOM 250 N ILE A 452 7.247 -7.718 -0.856 1.00 0.00 N ATOM 251 CA ILE A 452 6.533 -7.174 -2.024 1.00 0.00 C ATOM 252 C ILE A 452 7.447 -6.229 -2.823 1.00 0.00 C ATOM 253 O ILE A 452 8.250 -5.497 -2.246 1.00 0.00 O ATOM 254 CB ILE A 452 5.212 -6.507 -1.568 1.00 0.00 C ATOM 255 CG1 ILE A 452 4.237 -6.407 -2.757 1.00 0.00 C ATOM 256 CG2 ILE A 452 5.441 -5.127 -0.922 1.00 0.00 C ATOM 257 CD1 ILE A 452 2.843 -5.890 -2.390 1.00 0.00 C ATOM 0 H ILE A 452 7.630 -6.988 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 452 6.263 -7.982 -2.704 1.00 0.00 H new ATOM 0 HB ILE A 452 4.772 -7.139 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 452 4.669 -5.748 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 452 4.137 -7.392 -3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 452 4.483 -4.703 -0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 452 6.081 -5.237 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 452 5.921 -4.464 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 452 2.222 -5.851 -3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 452 2.387 -6.560 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 452 2.926 -4.891 -1.963 1.00 0.00 H new ATOM 269 N ASP A 453 7.339 -6.255 -4.153 1.00 0.00 N ATOM 270 CA ASP A 453 8.204 -5.518 -5.086 1.00 0.00 C ATOM 271 C ASP A 453 7.430 -4.520 -5.966 1.00 0.00 C ATOM 272 O ASP A 453 6.199 -4.502 -5.970 1.00 0.00 O ATOM 273 CB ASP A 453 8.989 -6.518 -5.948 1.00 0.00 C ATOM 274 CG ASP A 453 8.104 -7.264 -6.955 1.00 0.00 C ATOM 275 OD1 ASP A 453 7.876 -6.718 -8.059 1.00 0.00 O ATOM 276 OD2 ASP A 453 7.654 -8.390 -6.637 1.00 0.00 O ATOM 0 H ASP A 453 6.625 -6.806 -4.629 1.00 0.00 H new ATOM 0 HA ASP A 453 8.894 -4.918 -4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 453 9.775 -5.987 -6.486 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.481 -7.242 -5.298 1.00 0.00 H new ATOM 281 N GLU A 454 8.169 -3.706 -6.730 1.00 0.00 N ATOM 282 CA GLU A 454 7.650 -2.642 -7.603 1.00 0.00 C ATOM 283 C GLU A 454 6.448 -3.076 -8.461 1.00 0.00 C ATOM 284 O GLU A 454 5.447 -2.362 -8.518 1.00 0.00 O ATOM 285 CB GLU A 454 8.790 -2.161 -8.521 1.00 0.00 C ATOM 286 CG GLU A 454 8.435 -0.915 -9.343 1.00 0.00 C ATOM 287 CD GLU A 454 9.504 -0.647 -10.412 1.00 0.00 C ATOM 288 OE1 GLU A 454 10.616 -0.198 -10.051 1.00 0.00 O ATOM 289 OE2 GLU A 454 9.241 -0.879 -11.615 1.00 0.00 O ATOM 0 H GLU A 454 9.186 -3.772 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 454 7.290 -1.842 -6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 454 9.668 -1.946 -7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 454 9.063 -2.968 -9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 454 7.464 -1.052 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 454 8.348 -0.051 -8.684 1.00 0.00 H new ATOM 296 N ASP A 455 6.515 -4.241 -9.112 1.00 0.00 N ATOM 297 CA ASP A 455 5.492 -4.701 -10.059 1.00 0.00 C ATOM 298 C ASP A 455 4.243 -5.252 -9.352 1.00 0.00 C ATOM 299 O ASP A 455 3.142 -5.168 -9.891 1.00 0.00 O ATOM 300 CB ASP A 455 6.107 -5.752 -10.994 1.00 0.00 C ATOM 301 CG ASP A 455 5.178 -6.103 -12.168 1.00 0.00 C ATOM 302 OD1 ASP A 455 4.940 -5.225 -13.031 1.00 0.00 O ATOM 303 OD2 ASP A 455 4.724 -7.270 -12.250 1.00 0.00 O ATOM 0 H ASP A 455 7.287 -4.898 -8.996 1.00 0.00 H new ATOM 0 HA ASP A 455 5.157 -3.843 -10.642 1.00 0.00 H new ATOM 0 HB2 ASP A 455 7.055 -5.379 -11.382 1.00 0.00 H new ATOM 0 HB3 ASP A 455 6.328 -6.656 -10.426 1.00 0.00 H new ATOM 308 N GLU A 456 4.400 -5.745 -8.120 1.00 0.00 N ATOM 309 CA GLU A 456 3.292 -6.164 -7.258 1.00 0.00 C ATOM 310 C GLU A 456 2.612 -4.963 -6.593 1.00 0.00 C ATOM 311 O GLU A 456 1.385 -4.928 -6.499 1.00 0.00 O ATOM 312 CB GLU A 456 3.787 -7.128 -6.174 1.00 0.00 C ATOM 313 CG GLU A 456 4.224 -8.493 -6.705 1.00 0.00 C ATOM 314 CD GLU A 456 3.039 -9.348 -7.181 1.00 0.00 C ATOM 315 OE1 GLU A 456 2.344 -9.948 -6.327 1.00 0.00 O ATOM 316 OE2 GLU A 456 2.810 -9.452 -8.409 1.00 0.00 O ATOM 0 H GLU A 456 5.316 -5.866 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 456 2.564 -6.670 -7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 456 4.625 -6.669 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 456 2.993 -7.272 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 456 4.920 -8.351 -7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 456 4.762 -9.028 -5.923 1.00 0.00 H new ATOM 323 N ILE A 457 3.372 -3.940 -6.185 1.00 0.00 N ATOM 324 CA ILE A 457 2.814 -2.664 -5.701 1.00 0.00 C ATOM 325 C ILE A 457 2.083 -1.951 -6.852 1.00 0.00 C ATOM 326 O ILE A 457 1.010 -1.391 -6.633 1.00 0.00 O ATOM 327 CB ILE A 457 3.914 -1.777 -5.068 1.00 0.00 C ATOM 328 CG1 ILE A 457 4.614 -2.470 -3.875 1.00 0.00 C ATOM 329 CG2 ILE A 457 3.307 -0.446 -4.573 1.00 0.00 C ATOM 330 CD1 ILE A 457 5.989 -1.867 -3.560 1.00 0.00 C ATOM 0 H ILE A 457 4.392 -3.970 -6.180 1.00 0.00 H new ATOM 0 HA ILE A 457 2.089 -2.866 -4.913 1.00 0.00 H new ATOM 0 HB ILE A 457 4.656 -1.596 -5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 457 3.978 -2.394 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 457 4.730 -3.531 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 457 4.091 0.169 -4.130 1.00 0.00 H new ATOM 0 HG22 ILE A 457 2.861 0.085 -5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 457 2.541 -0.651 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 457 6.432 -2.393 -2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 457 6.638 -1.967 -4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 457 5.875 -0.812 -3.311 1.00 0.00 H new ATOM 342 N THR A 458 2.599 -2.050 -8.085 1.00 0.00 N ATOM 343 CA THR A 458 1.925 -1.564 -9.298 1.00 0.00 C ATOM 344 C THR A 458 0.645 -2.345 -9.542 1.00 0.00 C ATOM 345 O THR A 458 -0.408 -1.729 -9.638 1.00 0.00 O ATOM 346 CB THR A 458 2.856 -1.607 -10.519 1.00 0.00 C ATOM 347 OG1 THR A 458 4.017 -0.855 -10.255 1.00 0.00 O ATOM 348 CG2 THR A 458 2.218 -0.997 -11.767 1.00 0.00 C ATOM 0 H THR A 458 3.507 -2.475 -8.271 1.00 0.00 H new ATOM 0 HA THR A 458 1.659 -0.519 -9.142 1.00 0.00 H new ATOM 0 HB THR A 458 3.074 -2.659 -10.701 1.00 0.00 H new ATOM 0 HG1 THR A 458 4.616 -1.371 -9.676 1.00 0.00 H new ATOM 0 HG21 THR A 458 2.920 -1.054 -12.599 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.312 -1.548 -12.018 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.967 0.046 -11.575 1.00 0.00 H new ATOM 356 N ALA A 459 0.684 -3.679 -9.580 1.00 0.00 N ATOM 357 CA ALA A 459 -0.512 -4.505 -9.784 1.00 0.00 C ATOM 358 C ALA A 459 -1.569 -4.318 -8.675 1.00 0.00 C ATOM 359 O ALA A 459 -2.768 -4.391 -8.948 1.00 0.00 O ATOM 360 CB ALA A 459 -0.079 -5.970 -9.906 1.00 0.00 C ATOM 0 H ALA A 459 1.543 -4.218 -9.471 1.00 0.00 H new ATOM 0 HA ALA A 459 -1.000 -4.183 -10.704 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.957 -6.598 -10.058 1.00 0.00 H new ATOM 0 HB2 ALA A 459 0.597 -6.080 -10.754 1.00 0.00 H new ATOM 0 HB3 ALA A 459 0.432 -6.276 -8.993 1.00 0.00 H new ATOM 366 N SER A 460 -1.145 -4.005 -7.450 1.00 0.00 N ATOM 367 CA SER A 460 -2.030 -3.693 -6.318 1.00 0.00 C ATOM 368 C SER A 460 -2.821 -2.383 -6.480 1.00 0.00 C ATOM 369 O SER A 460 -3.813 -2.193 -5.773 1.00 0.00 O ATOM 370 CB SER A 460 -1.235 -3.641 -5.005 1.00 0.00 C ATOM 371 OG SER A 460 -0.657 -4.898 -4.685 1.00 0.00 O ATOM 0 H SER A 460 -0.155 -3.959 -7.208 1.00 0.00 H new ATOM 0 HA SER A 460 -2.759 -4.503 -6.294 1.00 0.00 H new ATOM 0 HB2 SER A 460 -0.449 -2.890 -5.086 1.00 0.00 H new ATOM 0 HB3 SER A 460 -1.893 -3.327 -4.195 1.00 0.00 H new ATOM 0 HG SER A 460 0.029 -5.121 -5.348 1.00 0.00 H new ATOM 377 N PHE A 461 -2.439 -1.499 -7.416 1.00 0.00 N ATOM 378 CA PHE A 461 -3.136 -0.232 -7.680 1.00 0.00 C ATOM 379 C PHE A 461 -3.443 0.006 -9.174 1.00 0.00 C ATOM 380 O PHE A 461 -4.157 0.951 -9.509 1.00 0.00 O ATOM 381 CB PHE A 461 -2.341 0.909 -7.029 1.00 0.00 C ATOM 382 CG PHE A 461 -2.406 0.914 -5.509 1.00 0.00 C ATOM 383 CD1 PHE A 461 -1.492 0.158 -4.751 1.00 0.00 C ATOM 384 CD2 PHE A 461 -3.370 1.696 -4.844 1.00 0.00 C ATOM 385 CE1 PHE A 461 -1.544 0.168 -3.347 1.00 0.00 C ATOM 386 CE2 PHE A 461 -3.405 1.728 -3.438 1.00 0.00 C ATOM 387 CZ PHE A 461 -2.502 0.957 -2.689 1.00 0.00 C ATOM 0 H PHE A 461 -1.628 -1.647 -8.017 1.00 0.00 H new ATOM 0 HA PHE A 461 -4.126 -0.276 -7.225 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -1.298 0.835 -7.338 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -2.718 1.861 -7.403 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -0.743 -0.436 -5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -4.084 2.272 -5.414 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -0.849 -0.429 -2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.130 2.349 -2.932 1.00 0.00 H new ATOM 0 HZ PHE A 461 -2.544 0.970 -1.610 1.00 0.00 H new ATOM 397 N ARG A 462 -3.018 -0.892 -10.073 1.00 0.00 N ATOM 398 CA ARG A 462 -3.320 -0.858 -11.513 1.00 0.00 C ATOM 399 C ARG A 462 -4.825 -0.950 -11.817 1.00 0.00 C ATOM 400 O ARG A 462 -5.269 -0.450 -12.853 1.00 0.00 O ATOM 401 CB ARG A 462 -2.512 -1.964 -12.226 1.00 0.00 C ATOM 402 CG ARG A 462 -2.666 -2.006 -13.757 1.00 0.00 C ATOM 403 CD ARG A 462 -2.238 -0.690 -14.424 1.00 0.00 C ATOM 404 NE ARG A 462 -2.538 -0.682 -15.867 1.00 0.00 N ATOM 405 CZ ARG A 462 -3.715 -0.434 -16.434 1.00 0.00 C ATOM 406 NH1 ARG A 462 -4.809 -0.207 -15.734 1.00 0.00 N ATOM 407 NH2 ARG A 462 -3.809 -0.412 -17.745 1.00 0.00 N ATOM 0 H ARG A 462 -2.436 -1.688 -9.811 1.00 0.00 H new ATOM 0 HA ARG A 462 -3.016 0.114 -11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 462 -1.457 -1.832 -11.987 1.00 0.00 H new ATOM 0 HB3 ARG A 462 -2.813 -2.930 -11.820 1.00 0.00 H new ATOM 0 HG2 ARG A 462 -2.068 -2.825 -14.157 1.00 0.00 H new ATOM 0 HG3 ARG A 462 -3.705 -2.217 -14.009 1.00 0.00 H new ATOM 0 HD2 ARG A 462 -2.749 0.144 -13.942 1.00 0.00 H new ATOM 0 HD3 ARG A 462 -1.169 -0.538 -14.275 1.00 0.00 H new ATOM 0 HE ARG A 462 -1.762 -0.888 -16.496 1.00 0.00 H new ATOM 0 HH11 ARG A 462 -4.774 -0.217 -14.715 1.00 0.00 H new ATOM 0 HH12 ARG A 462 -5.691 -0.021 -16.212 1.00 0.00 H new ATOM 0 HH21 ARG A 462 -2.983 -0.584 -18.318 1.00 0.00 H new ATOM 0 HH22 ARG A 462 -4.708 -0.223 -18.189 1.00 0.00 H new ATOM 421 N ARG A 463 -5.612 -1.492 -10.879 1.00 0.00 N ATOM 422 CA ARG A 463 -7.086 -1.494 -10.856 1.00 0.00 C ATOM 423 C ARG A 463 -7.741 -0.095 -10.922 1.00 0.00 C ATOM 424 O ARG A 463 -8.936 -0.003 -11.208 1.00 0.00 O ATOM 425 CB ARG A 463 -7.583 -2.294 -9.628 1.00 0.00 C ATOM 426 CG ARG A 463 -6.933 -1.890 -8.289 1.00 0.00 C ATOM 427 CD ARG A 463 -7.530 -2.656 -7.097 1.00 0.00 C ATOM 428 NE ARG A 463 -6.613 -2.630 -5.943 1.00 0.00 N ATOM 429 CZ ARG A 463 -6.779 -3.207 -4.759 1.00 0.00 C ATOM 430 NH1 ARG A 463 -7.902 -3.793 -4.402 1.00 0.00 N ATOM 431 NH2 ARG A 463 -5.774 -3.199 -3.914 1.00 0.00 N ATOM 0 H ARG A 463 -5.218 -1.969 -10.068 1.00 0.00 H new ATOM 0 HA ARG A 463 -7.406 -1.982 -11.777 1.00 0.00 H new ATOM 0 HB2 ARG A 463 -8.663 -2.171 -9.544 1.00 0.00 H new ATOM 0 HB3 ARG A 463 -7.396 -3.354 -9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 463 -5.860 -2.076 -8.337 1.00 0.00 H new ATOM 0 HG3 ARG A 463 -7.064 -0.819 -8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 463 -8.486 -2.213 -6.817 1.00 0.00 H new ATOM 0 HD3 ARG A 463 -7.729 -3.688 -7.386 1.00 0.00 H new ATOM 0 HE ARG A 463 -5.747 -2.106 -6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 463 -8.692 -3.817 -5.047 1.00 0.00 H new ATOM 0 HH12 ARG A 463 -7.982 -4.223 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 463 -4.893 -2.756 -4.174 1.00 0.00 H new ATOM 0 HH22 ARG A 463 -5.875 -3.635 -2.998 1.00 0.00 H new ATOM 445 N PHE A 464 -6.976 0.983 -10.714 1.00 0.00 N ATOM 446 CA PHE A 464 -7.429 2.380 -10.797 1.00 0.00 C ATOM 447 C PHE A 464 -6.990 3.104 -12.084 1.00 0.00 C ATOM 448 O PHE A 464 -7.432 4.225 -12.332 1.00 0.00 O ATOM 449 CB PHE A 464 -6.924 3.108 -9.540 1.00 0.00 C ATOM 450 CG PHE A 464 -7.380 2.450 -8.250 1.00 0.00 C ATOM 451 CD1 PHE A 464 -8.753 2.261 -8.010 1.00 0.00 C ATOM 452 CD2 PHE A 464 -6.439 1.939 -7.336 1.00 0.00 C ATOM 453 CE1 PHE A 464 -9.184 1.556 -6.876 1.00 0.00 C ATOM 454 CE2 PHE A 464 -6.871 1.221 -6.206 1.00 0.00 C ATOM 455 CZ PHE A 464 -8.244 1.032 -5.972 1.00 0.00 C ATOM 0 H PHE A 464 -5.988 0.905 -10.474 1.00 0.00 H new ATOM 0 HA PHE A 464 -8.518 2.388 -10.842 1.00 0.00 H new ATOM 0 HB2 PHE A 464 -5.835 3.141 -9.559 1.00 0.00 H new ATOM 0 HB3 PHE A 464 -7.275 4.140 -9.559 1.00 0.00 H new ATOM 0 HD1 PHE A 464 -9.479 2.661 -8.702 1.00 0.00 H new ATOM 0 HD2 PHE A 464 -5.384 2.098 -7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 464 -10.240 1.416 -6.697 1.00 0.00 H new ATOM 0 HE2 PHE A 464 -6.146 0.814 -5.517 1.00 0.00 H new ATOM 0 HZ PHE A 464 -8.575 0.486 -5.101 1.00 0.00 H new ATOM 465 N GLY A 465 -6.144 2.472 -12.905 1.00 0.00 N ATOM 466 CA GLY A 465 -5.505 3.042 -14.101 1.00 0.00 C ATOM 467 C GLY A 465 -3.971 2.928 -14.053 1.00 0.00 C ATOM 468 O GLY A 465 -3.437 2.451 -13.049 1.00 0.00 O ATOM 0 H GLY A 465 -5.872 1.502 -12.748 1.00 0.00 H new ATOM 0 HA2 GLY A 465 -5.878 2.530 -14.988 1.00 0.00 H new ATOM 0 HA3 GLY A 465 -5.787 4.091 -14.196 1.00 0.00 H new ATOM 472 N PRO A 466 -3.255 3.320 -15.127 1.00 0.00 N ATOM 473 CA PRO A 466 -1.797 3.223 -15.208 1.00 0.00 C ATOM 474 C PRO A 466 -1.085 4.081 -14.155 1.00 0.00 C ATOM 475 O PRO A 466 -1.579 5.141 -13.764 1.00 0.00 O ATOM 476 CB PRO A 466 -1.422 3.656 -16.632 1.00 0.00 C ATOM 477 CG PRO A 466 -2.709 3.456 -17.429 1.00 0.00 C ATOM 478 CD PRO A 466 -3.795 3.770 -16.403 1.00 0.00 C ATOM 0 HA PRO A 466 -1.474 2.203 -14.999 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -1.092 4.695 -16.660 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -0.607 3.052 -17.031 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -2.760 4.124 -18.289 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -2.795 2.438 -17.810 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -4.020 4.836 -16.381 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.724 3.253 -16.642 1.00 0.00 H new ATOM 486 N LEU A 467 0.094 3.624 -13.718 1.00 0.00 N ATOM 487 CA LEU A 467 0.908 4.250 -12.673 1.00 0.00 C ATOM 488 C LEU A 467 2.378 3.785 -12.709 1.00 0.00 C ATOM 489 O LEU A 467 2.720 2.830 -13.408 1.00 0.00 O ATOM 490 CB LEU A 467 0.274 3.995 -11.279 1.00 0.00 C ATOM 491 CG LEU A 467 0.414 2.564 -10.708 1.00 0.00 C ATOM 492 CD1 LEU A 467 0.212 2.602 -9.192 1.00 0.00 C ATOM 493 CD2 LEU A 467 -0.592 1.573 -11.309 1.00 0.00 C ATOM 0 H LEU A 467 0.521 2.779 -14.096 1.00 0.00 H new ATOM 0 HA LEU A 467 0.921 5.323 -12.867 1.00 0.00 H new ATOM 0 HB2 LEU A 467 0.721 4.691 -10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 467 -0.787 4.237 -11.338 1.00 0.00 H new ATOM 0 HG LEU A 467 1.414 2.218 -10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 467 0.310 1.595 -8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 467 0.964 3.250 -8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -0.782 2.989 -8.967 1.00 0.00 H new ATOM 0 HD21 LEU A 467 -0.441 0.588 -10.867 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -1.606 1.913 -11.100 1.00 0.00 H new ATOM 0 HD23 LEU A 467 -0.444 1.513 -12.387 1.00 0.00 H new ATOM 505 N VAL A 468 3.224 4.429 -11.902 1.00 0.00 N ATOM 506 CA VAL A 468 4.599 4.002 -11.577 1.00 0.00 C ATOM 507 C VAL A 468 4.829 4.127 -10.060 1.00 0.00 C ATOM 508 O VAL A 468 4.103 4.864 -9.394 1.00 0.00 O ATOM 509 CB VAL A 468 5.661 4.751 -12.425 1.00 0.00 C ATOM 510 CG1 VAL A 468 6.023 6.151 -11.934 1.00 0.00 C ATOM 511 CG2 VAL A 468 6.937 3.912 -12.567 1.00 0.00 C ATOM 0 H VAL A 468 2.965 5.298 -11.435 1.00 0.00 H new ATOM 0 HA VAL A 468 4.719 2.953 -11.846 1.00 0.00 H new ATOM 0 HB VAL A 468 5.181 4.892 -13.393 1.00 0.00 H new ATOM 0 HG11 VAL A 468 6.772 6.586 -12.596 1.00 0.00 H new ATOM 0 HG12 VAL A 468 5.131 6.778 -11.933 1.00 0.00 H new ATOM 0 HG13 VAL A 468 6.424 6.089 -10.922 1.00 0.00 H new ATOM 0 HG21 VAL A 468 7.667 4.458 -13.165 1.00 0.00 H new ATOM 0 HG22 VAL A 468 7.353 3.713 -11.580 1.00 0.00 H new ATOM 0 HG23 VAL A 468 6.699 2.968 -13.057 1.00 0.00 H new ATOM 521 N VAL A 469 5.803 3.396 -9.507 1.00 0.00 N ATOM 522 CA VAL A 469 6.031 3.263 -8.054 1.00 0.00 C ATOM 523 C VAL A 469 7.479 3.628 -7.688 1.00 0.00 C ATOM 524 O VAL A 469 8.422 3.231 -8.374 1.00 0.00 O ATOM 525 CB VAL A 469 5.686 1.831 -7.578 1.00 0.00 C ATOM 526 CG1 VAL A 469 5.944 1.629 -6.075 1.00 0.00 C ATOM 527 CG2 VAL A 469 4.210 1.497 -7.861 1.00 0.00 C ATOM 0 H VAL A 469 6.473 2.866 -10.065 1.00 0.00 H new ATOM 0 HA VAL A 469 5.371 3.962 -7.541 1.00 0.00 H new ATOM 0 HB VAL A 469 6.342 1.165 -8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 469 5.685 0.608 -5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 469 6.997 1.808 -5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 469 5.333 2.328 -5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 469 3.993 0.486 -7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 469 3.569 2.204 -7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 469 4.021 1.564 -8.932 1.00 0.00 H new ATOM 537 N ASP A 470 7.641 4.370 -6.589 1.00 0.00 N ATOM 538 CA ASP A 470 8.910 4.900 -6.068 1.00 0.00 C ATOM 539 C ASP A 470 8.937 4.885 -4.523 1.00 0.00 C ATOM 540 O ASP A 470 7.889 4.848 -3.881 1.00 0.00 O ATOM 541 CB ASP A 470 9.096 6.324 -6.621 1.00 0.00 C ATOM 542 CG ASP A 470 10.434 6.958 -6.210 1.00 0.00 C ATOM 543 OD1 ASP A 470 11.493 6.386 -6.558 1.00 0.00 O ATOM 544 OD2 ASP A 470 10.418 8.025 -5.553 1.00 0.00 O ATOM 0 H ASP A 470 6.848 4.633 -6.004 1.00 0.00 H new ATOM 0 HA ASP A 470 9.736 4.267 -6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 470 9.032 6.297 -7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 470 8.279 6.954 -6.270 1.00 0.00 H new ATOM 786 N GLY A 485 8.783 0.034 4.673 1.00 0.00 N ATOM 787 CA GLY A 485 7.387 -0.404 4.856 1.00 0.00 C ATOM 788 C GLY A 485 6.356 0.504 4.177 1.00 0.00 C ATOM 789 O GLY A 485 5.162 0.385 4.450 1.00 0.00 O ATOM 0 HA2 GLY A 485 7.280 -1.415 4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 485 7.168 -0.451 5.923 1.00 0.00 H new ATOM 793 N TYR A 486 6.791 1.407 3.293 1.00 0.00 N ATOM 794 CA TYR A 486 5.935 2.366 2.583 1.00 0.00 C ATOM 795 C TYR A 486 6.504 2.765 1.210 1.00 0.00 C ATOM 796 O TYR A 486 7.708 2.651 0.968 1.00 0.00 O ATOM 797 CB TYR A 486 5.660 3.598 3.467 1.00 0.00 C ATOM 798 CG TYR A 486 6.848 4.482 3.811 1.00 0.00 C ATOM 799 CD1 TYR A 486 7.378 5.375 2.856 1.00 0.00 C ATOM 800 CD2 TYR A 486 7.368 4.476 5.120 1.00 0.00 C ATOM 801 CE1 TYR A 486 8.430 6.243 3.202 1.00 0.00 C ATOM 802 CE2 TYR A 486 8.410 5.354 5.477 1.00 0.00 C ATOM 803 CZ TYR A 486 8.951 6.235 4.514 1.00 0.00 C ATOM 804 OH TYR A 486 9.965 7.082 4.849 1.00 0.00 O ATOM 0 H TYR A 486 7.776 1.495 3.044 1.00 0.00 H new ATOM 0 HA TYR A 486 4.986 1.869 2.381 1.00 0.00 H new ATOM 0 HB2 TYR A 486 4.914 4.214 2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 486 5.214 3.253 4.400 1.00 0.00 H new ATOM 0 HD1 TYR A 486 6.974 5.392 1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 486 6.965 3.794 5.854 1.00 0.00 H new ATOM 0 HE1 TYR A 486 8.839 6.916 2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 486 8.795 5.354 6.486 1.00 0.00 H new ATOM 0 HH TYR A 486 10.205 6.949 5.790 1.00 0.00 H new ATOM 814 N ALA A 487 5.635 3.260 0.323 1.00 0.00 N ATOM 815 CA ALA A 487 5.985 3.705 -1.025 1.00 0.00 C ATOM 816 C ALA A 487 5.056 4.831 -1.509 1.00 0.00 C ATOM 817 O ALA A 487 4.003 5.089 -0.918 1.00 0.00 O ATOM 818 CB ALA A 487 5.956 2.492 -1.972 1.00 0.00 C ATOM 0 H ALA A 487 4.642 3.364 0.531 1.00 0.00 H new ATOM 0 HA ALA A 487 6.991 4.125 -1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 487 6.216 2.812 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 487 6.675 1.747 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 487 4.957 2.057 -1.975 1.00 0.00 H new ATOM 824 N PHE A 488 5.452 5.473 -2.605 1.00 0.00 N ATOM 825 CA PHE A 488 4.724 6.518 -3.309 1.00 0.00 C ATOM 826 C PHE A 488 4.311 6.012 -4.696 1.00 0.00 C ATOM 827 O PHE A 488 5.153 5.700 -5.542 1.00 0.00 O ATOM 828 CB PHE A 488 5.608 7.769 -3.437 1.00 0.00 C ATOM 829 CG PHE A 488 5.959 8.445 -2.126 1.00 0.00 C ATOM 830 CD1 PHE A 488 5.104 9.426 -1.587 1.00 0.00 C ATOM 831 CD2 PHE A 488 7.158 8.122 -1.462 1.00 0.00 C ATOM 832 CE1 PHE A 488 5.460 10.099 -0.404 1.00 0.00 C ATOM 833 CE2 PHE A 488 7.505 8.783 -0.270 1.00 0.00 C ATOM 834 CZ PHE A 488 6.660 9.777 0.254 1.00 0.00 C ATOM 0 H PHE A 488 6.345 5.262 -3.050 1.00 0.00 H new ATOM 0 HA PHE A 488 3.827 6.779 -2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 488 6.532 7.492 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 488 5.099 8.491 -4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 488 4.174 9.662 -2.083 1.00 0.00 H new ATOM 0 HD2 PHE A 488 7.812 7.365 -1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 488 4.812 10.863 -0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 488 8.420 8.527 0.243 1.00 0.00 H new ATOM 0 HZ PHE A 488 6.933 10.293 1.162 1.00 0.00 H new ATOM 844 N LEU A 489 3.002 5.959 -4.927 1.00 0.00 N ATOM 845 CA LEU A 489 2.391 5.728 -6.233 1.00 0.00 C ATOM 846 C LEU A 489 2.336 7.054 -6.989 1.00 0.00 C ATOM 847 O LEU A 489 2.006 8.080 -6.389 1.00 0.00 O ATOM 848 CB LEU A 489 0.951 5.210 -6.060 1.00 0.00 C ATOM 849 CG LEU A 489 0.734 4.072 -5.049 1.00 0.00 C ATOM 850 CD1 LEU A 489 -0.766 3.779 -4.998 1.00 0.00 C ATOM 851 CD2 LEU A 489 1.517 2.800 -5.391 1.00 0.00 C ATOM 0 H LEU A 489 2.313 6.080 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 489 2.981 4.992 -6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 489 0.322 6.050 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 489 0.594 4.871 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 489 1.111 4.395 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 489 -0.956 2.974 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 489 -1.301 4.675 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 489 -1.112 3.479 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 489 1.319 2.037 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 489 1.206 2.433 -6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 489 2.584 3.023 -5.409 1.00 0.00 H new ATOM 863 N LEU A 490 2.586 7.019 -8.295 1.00 0.00 N ATOM 864 CA LEU A 490 2.399 8.128 -9.230 1.00 0.00 C ATOM 865 C LEU A 490 1.442 7.656 -10.330 1.00 0.00 C ATOM 866 O LEU A 490 1.839 6.854 -11.179 1.00 0.00 O ATOM 867 CB LEU A 490 3.754 8.524 -9.851 1.00 0.00 C ATOM 868 CG LEU A 490 4.926 8.840 -8.907 1.00 0.00 C ATOM 869 CD1 LEU A 490 6.165 9.121 -9.772 1.00 0.00 C ATOM 870 CD2 LEU A 490 4.621 10.033 -7.995 1.00 0.00 C ATOM 0 H LEU A 490 2.941 6.179 -8.753 1.00 0.00 H new ATOM 0 HA LEU A 490 1.989 8.996 -8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 490 4.067 7.714 -10.509 1.00 0.00 H new ATOM 0 HB3 LEU A 490 3.588 9.399 -10.479 1.00 0.00 H new ATOM 0 HG LEU A 490 5.101 7.987 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 490 7.014 9.349 -9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 490 6.393 8.243 -10.377 1.00 0.00 H new ATOM 0 HD13 LEU A 490 5.967 9.970 -10.426 1.00 0.00 H new ATOM 0 HD21 LEU A 490 5.475 10.222 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 490 4.426 10.916 -8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 490 3.744 9.811 -7.387 1.00 0.00 H new ATOM 882 N PHE A 491 0.190 8.119 -10.309 1.00 0.00 N ATOM 883 CA PHE A 491 -0.820 7.752 -11.309 1.00 0.00 C ATOM 884 C PHE A 491 -0.680 8.574 -12.602 1.00 0.00 C ATOM 885 O PHE A 491 -0.143 9.684 -12.600 1.00 0.00 O ATOM 886 CB PHE A 491 -2.225 7.874 -10.699 1.00 0.00 C ATOM 887 CG PHE A 491 -2.534 6.824 -9.644 1.00 0.00 C ATOM 888 CD1 PHE A 491 -3.014 5.554 -10.024 1.00 0.00 C ATOM 889 CD2 PHE A 491 -2.333 7.109 -8.279 1.00 0.00 C ATOM 890 CE1 PHE A 491 -3.277 4.576 -9.050 1.00 0.00 C ATOM 891 CE2 PHE A 491 -2.617 6.136 -7.303 1.00 0.00 C ATOM 892 CZ PHE A 491 -3.089 4.870 -7.689 1.00 0.00 C ATOM 0 H PHE A 491 -0.155 8.762 -9.596 1.00 0.00 H new ATOM 0 HA PHE A 491 -0.657 6.713 -11.595 1.00 0.00 H new ATOM 0 HB2 PHE A 491 -2.332 8.863 -10.255 1.00 0.00 H new ATOM 0 HB3 PHE A 491 -2.964 7.801 -11.497 1.00 0.00 H new ATOM 0 HD1 PHE A 491 -3.180 5.332 -11.068 1.00 0.00 H new ATOM 0 HD2 PHE A 491 -1.960 8.078 -7.981 1.00 0.00 H new ATOM 0 HE1 PHE A 491 -3.624 3.598 -9.348 1.00 0.00 H new ATOM 0 HE2 PHE A 491 -2.472 6.362 -6.257 1.00 0.00 H new ATOM 0 HZ PHE A 491 -3.307 4.123 -6.940 1.00 0.00 H new ATOM 902 N GLN A 492 -1.186 8.033 -13.713 1.00 0.00 N ATOM 903 CA GLN A 492 -1.133 8.667 -15.037 1.00 0.00 C ATOM 904 C GLN A 492 -2.224 9.734 -15.242 1.00 0.00 C ATOM 905 O GLN A 492 -2.032 10.656 -16.034 1.00 0.00 O ATOM 906 CB GLN A 492 -1.231 7.550 -16.092 1.00 0.00 C ATOM 907 CG GLN A 492 -1.062 8.003 -17.556 1.00 0.00 C ATOM 908 CD GLN A 492 0.267 8.710 -17.849 1.00 0.00 C ATOM 909 OE1 GLN A 492 1.299 8.456 -17.239 1.00 0.00 O ATOM 910 NE2 GLN A 492 0.301 9.628 -18.795 1.00 0.00 N ATOM 0 H GLN A 492 -1.653 7.126 -13.720 1.00 0.00 H new ATOM 0 HA GLN A 492 -0.191 9.208 -15.134 1.00 0.00 H new ATOM 0 HB2 GLN A 492 -0.472 6.799 -15.872 1.00 0.00 H new ATOM 0 HB3 GLN A 492 -2.201 7.062 -15.990 1.00 0.00 H new ATOM 0 HG2 GLN A 492 -1.148 7.132 -18.206 1.00 0.00 H new ATOM 0 HG3 GLN A 492 -1.881 8.674 -17.813 1.00 0.00 H new ATOM 0 HE21 GLN A 492 -0.546 9.855 -19.316 1.00 0.00 H new ATOM 0 HE22 GLN A 492 1.174 10.111 -19.006 1.00 0.00 H new ATOM 919 N GLU A 493 -3.341 9.642 -14.513 1.00 0.00 N ATOM 920 CA GLU A 493 -4.484 10.562 -14.584 1.00 0.00 C ATOM 921 C GLU A 493 -5.069 10.796 -13.184 1.00 0.00 C ATOM 922 O GLU A 493 -5.157 9.869 -12.377 1.00 0.00 O ATOM 923 CB GLU A 493 -5.582 10.001 -15.508 1.00 0.00 C ATOM 924 CG GLU A 493 -5.157 9.915 -16.980 1.00 0.00 C ATOM 925 CD GLU A 493 -6.337 9.502 -17.871 1.00 0.00 C ATOM 926 OE1 GLU A 493 -7.076 10.393 -18.356 1.00 0.00 O ATOM 927 OE2 GLU A 493 -6.529 8.285 -18.106 1.00 0.00 O ATOM 0 H GLU A 493 -3.480 8.897 -13.831 1.00 0.00 H new ATOM 0 HA GLU A 493 -4.128 11.508 -14.991 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -5.865 9.007 -15.161 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -6.468 10.631 -15.430 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -4.770 10.880 -17.307 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -4.347 9.194 -17.087 1.00 0.00 H new ATOM 934 N GLU A 494 -5.475 12.034 -12.888 1.00 0.00 N ATOM 935 CA GLU A 494 -6.007 12.429 -11.575 1.00 0.00 C ATOM 936 C GLU A 494 -7.235 11.595 -11.178 1.00 0.00 C ATOM 937 O GLU A 494 -7.388 11.220 -10.013 1.00 0.00 O ATOM 938 CB GLU A 494 -6.374 13.927 -11.549 1.00 0.00 C ATOM 939 CG GLU A 494 -5.216 14.891 -11.860 1.00 0.00 C ATOM 940 CD GLU A 494 -5.060 15.164 -13.363 1.00 0.00 C ATOM 941 OE1 GLU A 494 -4.393 14.354 -14.050 1.00 0.00 O ATOM 942 OE2 GLU A 494 -5.599 16.179 -13.860 1.00 0.00 O ATOM 0 H GLU A 494 -5.444 12.801 -13.559 1.00 0.00 H new ATOM 0 HA GLU A 494 -5.215 12.241 -10.850 1.00 0.00 H new ATOM 0 HB2 GLU A 494 -7.174 14.101 -12.269 1.00 0.00 H new ATOM 0 HB3 GLU A 494 -6.773 14.170 -10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 494 -5.384 15.834 -11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 494 -4.287 14.473 -11.472 1.00 0.00 H new ATOM 949 N SER A 495 -8.070 11.220 -12.148 1.00 0.00 N ATOM 950 CA SER A 495 -9.246 10.361 -11.956 1.00 0.00 C ATOM 951 C SER A 495 -8.906 9.000 -11.328 1.00 0.00 C ATOM 952 O SER A 495 -9.735 8.425 -10.626 1.00 0.00 O ATOM 953 CB SER A 495 -9.951 10.137 -13.302 1.00 0.00 C ATOM 954 OG SER A 495 -10.233 11.372 -13.953 1.00 0.00 O ATOM 0 H SER A 495 -7.946 11.512 -13.117 1.00 0.00 H new ATOM 0 HA SER A 495 -9.902 10.882 -11.258 1.00 0.00 H new ATOM 0 HB2 SER A 495 -9.323 9.520 -13.945 1.00 0.00 H new ATOM 0 HB3 SER A 495 -10.879 9.588 -13.141 1.00 0.00 H new ATOM 0 HG SER A 495 -10.680 11.197 -14.807 1.00 0.00 H new ATOM 960 N SER A 496 -7.675 8.499 -11.487 1.00 0.00 N ATOM 961 CA SER A 496 -7.215 7.276 -10.818 1.00 0.00 C ATOM 962 C SER A 496 -7.056 7.469 -9.302 1.00 0.00 C ATOM 963 O SER A 496 -7.256 6.525 -8.538 1.00 0.00 O ATOM 964 CB SER A 496 -5.876 6.815 -11.409 1.00 0.00 C ATOM 965 OG SER A 496 -5.930 6.655 -12.820 1.00 0.00 O ATOM 0 H SER A 496 -6.969 8.931 -12.084 1.00 0.00 H new ATOM 0 HA SER A 496 -7.979 6.517 -10.986 1.00 0.00 H new ATOM 0 HB2 SER A 496 -5.103 7.541 -11.158 1.00 0.00 H new ATOM 0 HB3 SER A 496 -5.586 5.870 -10.950 1.00 0.00 H new ATOM 0 HG SER A 496 -6.436 5.845 -13.038 1.00 0.00 H new ATOM 971 N VAL A 497 -6.770 8.696 -8.843 1.00 0.00 N ATOM 972 CA VAL A 497 -6.695 9.018 -7.407 1.00 0.00 C ATOM 973 C VAL A 497 -8.107 9.071 -6.813 1.00 0.00 C ATOM 974 O VAL A 497 -8.322 8.579 -5.710 1.00 0.00 O ATOM 975 CB VAL A 497 -5.931 10.335 -7.130 1.00 0.00 C ATOM 976 CG1 VAL A 497 -5.769 10.587 -5.621 1.00 0.00 C ATOM 977 CG2 VAL A 497 -4.534 10.322 -7.775 1.00 0.00 C ATOM 0 H VAL A 497 -6.584 9.492 -9.453 1.00 0.00 H new ATOM 0 HA VAL A 497 -6.126 8.225 -6.922 1.00 0.00 H new ATOM 0 HB VAL A 497 -6.528 11.134 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 497 -5.228 11.520 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 497 -6.752 10.655 -5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 497 -5.212 9.765 -5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 497 -4.025 11.262 -7.561 1.00 0.00 H new ATOM 0 HG22 VAL A 497 -3.953 9.494 -7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 497 -4.632 10.201 -8.854 1.00 0.00 H new ATOM 987 N GLN A 498 -9.095 9.584 -7.555 1.00 0.00 N ATOM 988 CA GLN A 498 -10.496 9.564 -7.121 1.00 0.00 C ATOM 989 C GLN A 498 -11.078 8.146 -7.144 1.00 0.00 C ATOM 990 O GLN A 498 -11.824 7.791 -6.235 1.00 0.00 O ATOM 991 CB GLN A 498 -11.317 10.501 -8.025 1.00 0.00 C ATOM 992 CG GLN A 498 -12.802 10.619 -7.636 1.00 0.00 C ATOM 993 CD GLN A 498 -13.017 11.078 -6.191 1.00 0.00 C ATOM 994 OE1 GLN A 498 -12.962 12.256 -5.866 1.00 0.00 O ATOM 995 NE2 GLN A 498 -13.246 10.168 -5.267 1.00 0.00 N ATOM 0 H GLN A 498 -8.948 10.021 -8.465 1.00 0.00 H new ATOM 0 HA GLN A 498 -10.544 9.912 -6.089 1.00 0.00 H new ATOM 0 HB2 GLN A 498 -10.868 11.494 -8.002 1.00 0.00 H new ATOM 0 HB3 GLN A 498 -11.250 10.145 -9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 498 -13.292 11.322 -8.310 1.00 0.00 H new ATOM 0 HG3 GLN A 498 -13.285 9.652 -7.778 1.00 0.00 H new ATOM 0 HE21 GLN A 498 -13.295 9.182 -5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 498 -13.375 10.449 -4.295 1.00 0.00 H new ATOM 1004 N ALA A 499 -10.715 7.323 -8.131 1.00 0.00 N ATOM 1005 CA ALA A 499 -11.091 5.906 -8.173 1.00 0.00 C ATOM 1006 C ALA A 499 -10.533 5.124 -6.972 1.00 0.00 C ATOM 1007 O ALA A 499 -11.235 4.282 -6.408 1.00 0.00 O ATOM 1008 CB ALA A 499 -10.613 5.293 -9.494 1.00 0.00 C ATOM 0 H ALA A 499 -10.150 7.621 -8.926 1.00 0.00 H new ATOM 0 HA ALA A 499 -12.177 5.839 -8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 499 -10.891 4.240 -9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 499 -11.078 5.818 -10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 499 -9.529 5.385 -9.567 1.00 0.00 H new ATOM 1014 N LEU A 500 -9.303 5.440 -6.547 1.00 0.00 N ATOM 1015 CA LEU A 500 -8.716 4.915 -5.315 1.00 0.00 C ATOM 1016 C LEU A 500 -9.497 5.398 -4.084 1.00 0.00 C ATOM 1017 O LEU A 500 -9.907 4.575 -3.269 1.00 0.00 O ATOM 1018 CB LEU A 500 -7.218 5.278 -5.280 1.00 0.00 C ATOM 1019 CG LEU A 500 -6.494 4.983 -3.951 1.00 0.00 C ATOM 1020 CD1 LEU A 500 -6.631 3.526 -3.501 1.00 0.00 C ATOM 1021 CD2 LEU A 500 -5.004 5.306 -4.112 1.00 0.00 C ATOM 0 H LEU A 500 -8.685 6.073 -7.055 1.00 0.00 H new ATOM 0 HA LEU A 500 -8.790 3.828 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -6.712 4.735 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -7.114 6.340 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 500 -6.962 5.606 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -6.099 3.384 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -7.685 3.286 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -6.206 2.869 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -4.484 5.100 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.582 4.689 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.886 6.359 -4.369 1.00 0.00 H new ATOM 1033 N ILE A 501 -9.767 6.702 -3.964 1.00 0.00 N ATOM 1034 CA ILE A 501 -10.559 7.287 -2.859 1.00 0.00 C ATOM 1035 C ILE A 501 -11.947 6.626 -2.748 1.00 0.00 C ATOM 1036 O ILE A 501 -12.388 6.304 -1.646 1.00 0.00 O ATOM 1037 CB ILE A 501 -10.659 8.825 -3.028 1.00 0.00 C ATOM 1038 CG1 ILE A 501 -9.283 9.494 -2.809 1.00 0.00 C ATOM 1039 CG2 ILE A 501 -11.686 9.438 -2.052 1.00 0.00 C ATOM 1040 CD1 ILE A 501 -9.174 10.922 -3.362 1.00 0.00 C ATOM 0 H ILE A 501 -9.441 7.396 -4.637 1.00 0.00 H new ATOM 0 HA ILE A 501 -10.044 7.086 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 501 -10.994 9.012 -4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -9.069 9.514 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -8.515 8.877 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -11.729 10.517 -2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -12.669 9.007 -2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 501 -11.386 9.224 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 501 -8.176 11.314 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 501 -9.353 10.910 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 501 -9.916 11.557 -2.878 1.00 0.00 H new ATOM 1052 N ASP A 502 -12.609 6.369 -3.877 1.00 0.00 N ATOM 1053 CA ASP A 502 -13.926 5.721 -3.948 1.00 0.00 C ATOM 1054 C ASP A 502 -13.899 4.226 -3.559 1.00 0.00 C ATOM 1055 O ASP A 502 -14.938 3.663 -3.202 1.00 0.00 O ATOM 1056 CB ASP A 502 -14.491 5.923 -5.364 1.00 0.00 C ATOM 1057 CG ASP A 502 -15.942 5.432 -5.504 1.00 0.00 C ATOM 1058 OD1 ASP A 502 -16.847 6.050 -4.894 1.00 0.00 O ATOM 1059 OD2 ASP A 502 -16.178 4.454 -6.254 1.00 0.00 O ATOM 0 H ASP A 502 -12.236 6.611 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 502 -14.576 6.191 -3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 502 -14.444 6.981 -5.621 1.00 0.00 H new ATOM 0 HB3 ASP A 502 -13.863 5.393 -6.080 1.00 0.00 H new ATOM 1064 N ALA A 503 -12.720 3.593 -3.571 1.00 0.00 N ATOM 1065 CA ALA A 503 -12.497 2.214 -3.129 1.00 0.00 C ATOM 1066 C ALA A 503 -11.933 2.114 -1.697 1.00 0.00 C ATOM 1067 O ALA A 503 -11.952 1.029 -1.109 1.00 0.00 O ATOM 1068 CB ALA A 503 -11.567 1.537 -4.142 1.00 0.00 C ATOM 0 H ALA A 503 -11.866 4.044 -3.900 1.00 0.00 H new ATOM 0 HA ALA A 503 -13.459 1.704 -3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -11.384 0.507 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -12.034 1.546 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -10.621 2.076 -4.184 1.00 0.00 H new ATOM 1074 N CYS A 504 -11.449 3.220 -1.118 1.00 0.00 N ATOM 1075 CA CYS A 504 -10.849 3.236 0.215 1.00 0.00 C ATOM 1076 C CYS A 504 -11.878 3.079 1.350 1.00 0.00 C ATOM 1077 O CYS A 504 -12.985 3.627 1.312 1.00 0.00 O ATOM 1078 CB CYS A 504 -10.049 4.532 0.425 1.00 0.00 C ATOM 1079 SG CYS A 504 -8.471 4.484 -0.470 1.00 0.00 S ATOM 0 H CYS A 504 -11.465 4.135 -1.568 1.00 0.00 H new ATOM 0 HA CYS A 504 -10.187 2.371 0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 504 -10.637 5.384 0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 504 -9.862 4.678 1.489 1.00 0.00 H new ATOM 0 HG CYS A 504 -8.697 4.507 -1.750 1.00 0.00 H new ATOM 1085 N LEU A 505 -11.459 2.356 2.388 1.00 0.00 N ATOM 1086 CA LEU A 505 -12.096 2.300 3.705 1.00 0.00 C ATOM 1087 C LEU A 505 -11.621 3.520 4.514 1.00 0.00 C ATOM 1088 O LEU A 505 -10.754 4.272 4.061 1.00 0.00 O ATOM 1089 CB LEU A 505 -11.709 0.977 4.402 1.00 0.00 C ATOM 1090 CG LEU A 505 -12.177 -0.296 3.670 1.00 0.00 C ATOM 1091 CD1 LEU A 505 -11.579 -1.533 4.357 1.00 0.00 C ATOM 1092 CD2 LEU A 505 -13.708 -0.413 3.626 1.00 0.00 C ATOM 0 H LEU A 505 -10.629 1.766 2.332 1.00 0.00 H new ATOM 0 HA LEU A 505 -13.182 2.328 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 505 -10.625 0.941 4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 505 -12.128 0.976 5.408 1.00 0.00 H new ATOM 0 HG LEU A 505 -11.827 -0.232 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 505 -11.910 -2.433 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 505 -10.491 -1.476 4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 505 -11.911 -1.569 5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 505 -13.988 -1.326 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 505 -14.100 -0.445 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 505 -14.124 0.449 3.104 1.00 0.00 H new ATOM 1104 N GLU A 506 -12.150 3.707 5.722 1.00 0.00 N ATOM 1105 CA GLU A 506 -11.828 4.861 6.570 1.00 0.00 C ATOM 1106 C GLU A 506 -11.830 4.489 8.061 1.00 0.00 C ATOM 1107 O GLU A 506 -12.756 3.833 8.547 1.00 0.00 O ATOM 1108 CB GLU A 506 -12.801 6.015 6.267 1.00 0.00 C ATOM 1109 CG GLU A 506 -12.361 7.340 6.903 1.00 0.00 C ATOM 1110 CD GLU A 506 -13.390 8.447 6.626 1.00 0.00 C ATOM 1111 OE1 GLU A 506 -14.359 8.583 7.411 1.00 0.00 O ATOM 1112 OE2 GLU A 506 -13.236 9.189 5.629 1.00 0.00 O ATOM 0 H GLU A 506 -12.817 3.062 6.145 1.00 0.00 H new ATOM 0 HA GLU A 506 -10.816 5.192 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 506 -12.882 6.143 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 506 -13.794 5.753 6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 506 -12.241 7.210 7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 506 -11.389 7.634 6.507 1.00 0.00 H new ATOM 1175 N LEU A 511 -7.544 7.046 5.465 1.00 0.00 N ATOM 1176 CA LEU A 511 -8.010 6.107 4.434 1.00 0.00 C ATOM 1177 C LEU A 511 -7.175 4.821 4.412 1.00 0.00 C ATOM 1178 O LEU A 511 -5.988 4.833 4.739 1.00 0.00 O ATOM 1179 CB LEU A 511 -8.018 6.790 3.051 1.00 0.00 C ATOM 1180 CG LEU A 511 -8.987 7.979 2.894 1.00 0.00 C ATOM 1181 CD1 LEU A 511 -8.874 8.529 1.462 1.00 0.00 C ATOM 1182 CD2 LEU A 511 -10.448 7.598 3.182 1.00 0.00 C ATOM 0 HA LEU A 511 -9.031 5.818 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 511 -7.008 7.138 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 511 -8.267 6.041 2.299 1.00 0.00 H new ATOM 0 HG LEU A 511 -8.703 8.734 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 511 -9.556 9.371 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 511 -7.852 8.861 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 511 -9.134 7.746 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 511 -11.084 8.474 3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 511 -10.764 6.818 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 511 -10.534 7.232 4.205 1.00 0.00 H new ATOM 1194 N TYR A 512 -7.791 3.713 3.993 1.00 0.00 N ATOM 1195 CA TYR A 512 -7.170 2.382 3.920 1.00 0.00 C ATOM 1196 C TYR A 512 -7.617 1.574 2.689 1.00 0.00 C ATOM 1197 O TYR A 512 -8.727 1.748 2.189 1.00 0.00 O ATOM 1198 CB TYR A 512 -7.469 1.587 5.205 1.00 0.00 C ATOM 1199 CG TYR A 512 -6.613 1.953 6.401 1.00 0.00 C ATOM 1200 CD1 TYR A 512 -7.000 2.996 7.265 1.00 0.00 C ATOM 1201 CD2 TYR A 512 -5.437 1.223 6.667 1.00 0.00 C ATOM 1202 CE1 TYR A 512 -6.213 3.312 8.388 1.00 0.00 C ATOM 1203 CE2 TYR A 512 -4.653 1.525 7.795 1.00 0.00 C ATOM 1204 CZ TYR A 512 -5.043 2.570 8.663 1.00 0.00 C ATOM 1205 OH TYR A 512 -4.295 2.865 9.763 1.00 0.00 O ATOM 0 H TYR A 512 -8.764 3.714 3.686 1.00 0.00 H new ATOM 0 HA TYR A 512 -6.097 2.543 3.821 1.00 0.00 H new ATOM 0 HB2 TYR A 512 -8.516 1.733 5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 512 -7.338 0.525 4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 512 -7.903 3.554 7.065 1.00 0.00 H new ATOM 0 HD2 TYR A 512 -5.136 0.428 6.001 1.00 0.00 H new ATOM 0 HE1 TYR A 512 -6.504 4.122 9.040 1.00 0.00 H new ATOM 0 HE2 TYR A 512 -3.755 0.960 7.997 1.00 0.00 H new ATOM 0 HH TYR A 512 -3.525 2.261 9.806 1.00 0.00 H new ATOM 1215 N LEU A 513 -6.775 0.641 2.237 1.00 0.00 N ATOM 1216 CA LEU A 513 -7.044 -0.293 1.136 1.00 0.00 C ATOM 1217 C LEU A 513 -6.447 -1.671 1.467 1.00 0.00 C ATOM 1218 O LEU A 513 -5.525 -1.752 2.278 1.00 0.00 O ATOM 1219 CB LEU A 513 -6.428 0.283 -0.156 1.00 0.00 C ATOM 1220 CG LEU A 513 -7.099 -0.238 -1.440 1.00 0.00 C ATOM 1221 CD1 LEU A 513 -8.402 0.535 -1.696 1.00 0.00 C ATOM 1222 CD2 LEU A 513 -6.175 -0.079 -2.646 1.00 0.00 C ATOM 0 H LEU A 513 -5.849 0.509 2.644 1.00 0.00 H new ATOM 0 HA LEU A 513 -8.118 -0.418 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 513 -6.503 1.370 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 513 -5.367 0.037 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 513 -7.315 -1.298 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 513 -8.873 0.163 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 513 -9.079 0.396 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 513 -8.179 1.596 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 513 -6.674 -0.455 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 513 -5.933 0.975 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 513 -5.258 -0.643 -2.478 1.00 0.00 H new ATOM 1234 N CYS A 514 -6.934 -2.747 0.843 1.00 0.00 N ATOM 1235 CA CYS A 514 -6.437 -4.114 1.055 1.00 0.00 C ATOM 1236 C CYS A 514 -5.461 -4.556 -0.056 1.00 0.00 C ATOM 1237 O CYS A 514 -5.725 -4.322 -1.239 1.00 0.00 O ATOM 1238 CB CYS A 514 -7.640 -5.064 1.179 1.00 0.00 C ATOM 1239 SG CYS A 514 -8.626 -4.609 2.639 1.00 0.00 S ATOM 0 H CYS A 514 -7.695 -2.695 0.166 1.00 0.00 H new ATOM 0 HA CYS A 514 -5.861 -4.145 1.980 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -8.255 -5.009 0.280 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -7.296 -6.094 1.267 1.00 0.00 H new ATOM 0 HG CYS A 514 -9.644 -5.411 2.742 1.00 0.00 H new ATOM 1245 N VAL A 515 -4.362 -5.214 0.329 1.00 0.00 N ATOM 1246 CA VAL A 515 -3.295 -5.750 -0.550 1.00 0.00 C ATOM 1247 C VAL A 515 -2.739 -7.074 0.014 1.00 0.00 C ATOM 1248 O VAL A 515 -3.153 -7.511 1.085 1.00 0.00 O ATOM 1249 CB VAL A 515 -2.148 -4.728 -0.778 1.00 0.00 C ATOM 1250 CG1 VAL A 515 -2.639 -3.425 -1.434 1.00 0.00 C ATOM 1251 CG2 VAL A 515 -1.385 -4.393 0.516 1.00 0.00 C ATOM 0 H VAL A 515 -4.175 -5.402 1.314 1.00 0.00 H new ATOM 0 HA VAL A 515 -3.749 -5.943 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 515 -1.462 -5.224 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 515 -1.797 -2.746 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 515 -3.084 -3.651 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 515 -3.385 -2.954 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 515 -0.595 -3.674 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 515 -2.074 -3.964 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -0.945 -5.303 0.925 1.00 0.00 H new ATOM 1261 N SER A 516 -1.801 -7.727 -0.678 1.00 0.00 N ATOM 1262 CA SER A 516 -1.262 -9.048 -0.295 1.00 0.00 C ATOM 1263 C SER A 516 0.113 -9.359 -0.927 1.00 0.00 C ATOM 1264 O SER A 516 0.614 -8.625 -1.781 1.00 0.00 O ATOM 1265 CB SER A 516 -2.287 -10.152 -0.628 1.00 0.00 C ATOM 1266 OG SER A 516 -2.562 -10.230 -2.022 1.00 0.00 O ATOM 0 H SER A 516 -1.385 -7.354 -1.531 1.00 0.00 H new ATOM 0 HA SER A 516 -1.093 -9.020 0.781 1.00 0.00 H new ATOM 0 HB2 SER A 516 -1.909 -11.113 -0.280 1.00 0.00 H new ATOM 0 HB3 SER A 516 -3.214 -9.960 -0.087 1.00 0.00 H new ATOM 0 HG SER A 516 -3.214 -10.943 -2.187 1.00 0.00 H new ATOM 1272 N SER A 517 0.744 -10.452 -0.491 1.00 0.00 N ATOM 1273 CA SER A 517 2.107 -10.876 -0.855 1.00 0.00 C ATOM 1274 C SER A 517 2.264 -12.408 -0.687 1.00 0.00 C ATOM 1275 O SER A 517 1.297 -13.072 -0.283 1.00 0.00 O ATOM 1276 CB SER A 517 3.095 -10.102 0.038 1.00 0.00 C ATOM 1277 OG SER A 517 2.936 -10.493 1.392 1.00 0.00 O ATOM 0 H SER A 517 0.300 -11.101 0.158 1.00 0.00 H new ATOM 0 HA SER A 517 2.311 -10.654 -1.902 1.00 0.00 H new ATOM 0 HB2 SER A 517 4.118 -10.294 -0.286 1.00 0.00 H new ATOM 0 HB3 SER A 517 2.925 -9.030 -0.062 1.00 0.00 H new ATOM 0 HG SER A 517 2.002 -10.742 1.553 1.00 0.00 H new ATOM 1283 N PRO A 518 3.438 -13.016 -0.968 1.00 0.00 N ATOM 1284 CA PRO A 518 3.649 -14.454 -0.794 1.00 0.00 C ATOM 1285 C PRO A 518 3.535 -14.929 0.663 1.00 0.00 C ATOM 1286 O PRO A 518 3.182 -16.088 0.886 1.00 0.00 O ATOM 1287 CB PRO A 518 5.044 -14.750 -1.361 1.00 0.00 C ATOM 1288 CG PRO A 518 5.285 -13.599 -2.334 1.00 0.00 C ATOM 1289 CD PRO A 518 4.603 -12.437 -1.619 1.00 0.00 C ATOM 0 HA PRO A 518 2.864 -15.000 -1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 518 5.799 -14.776 -0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 518 5.075 -15.716 -1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 518 6.347 -13.414 -2.493 1.00 0.00 H new ATOM 0 HG3 PRO A 518 4.845 -13.792 -3.312 1.00 0.00 H new ATOM 0 HD2 PRO A 518 5.271 -11.976 -0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 518 4.313 -11.658 -2.324 1.00 0.00 H new ATOM 1297 N THR A 519 3.794 -14.046 1.644 1.00 0.00 N ATOM 1298 CA THR A 519 3.849 -14.378 3.078 1.00 0.00 C ATOM 1299 C THR A 519 2.778 -13.681 3.913 1.00 0.00 C ATOM 1300 O THR A 519 2.287 -14.281 4.869 1.00 0.00 O ATOM 1301 CB THR A 519 5.235 -14.051 3.649 1.00 0.00 C ATOM 1302 OG1 THR A 519 5.558 -12.707 3.356 1.00 0.00 O ATOM 1303 CG2 THR A 519 6.322 -14.952 3.060 1.00 0.00 C ATOM 0 H THR A 519 3.975 -13.060 1.457 1.00 0.00 H new ATOM 0 HA THR A 519 3.652 -15.448 3.143 1.00 0.00 H new ATOM 0 HB THR A 519 5.195 -14.217 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 519 6.442 -12.496 3.722 1.00 0.00 H new ATOM 0 HG21 THR A 519 7.287 -14.687 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 519 6.096 -15.993 3.290 1.00 0.00 H new ATOM 0 HG23 THR A 519 6.359 -14.819 1.979 1.00 0.00 H new ATOM 1311 N ILE A 520 2.378 -12.458 3.554 1.00 0.00 N ATOM 1312 CA ILE A 520 1.380 -11.648 4.280 1.00 0.00 C ATOM 1313 C ILE A 520 0.112 -11.498 3.431 1.00 0.00 C ATOM 1314 O ILE A 520 0.165 -11.094 2.266 1.00 0.00 O ATOM 1315 CB ILE A 520 1.963 -10.272 4.685 1.00 0.00 C ATOM 1316 CG1 ILE A 520 3.376 -10.317 5.314 1.00 0.00 C ATOM 1317 CG2 ILE A 520 1.000 -9.542 5.636 1.00 0.00 C ATOM 1318 CD1 ILE A 520 3.519 -11.151 6.593 1.00 0.00 C ATOM 0 H ILE A 520 2.746 -11.986 2.728 1.00 0.00 H new ATOM 0 HA ILE A 520 1.114 -12.163 5.203 1.00 0.00 H new ATOM 0 HB ILE A 520 2.073 -9.728 3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 520 4.070 -10.708 4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 520 3.686 -9.296 5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 520 1.424 -8.576 5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 520 0.043 -9.389 5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 520 0.850 -10.142 6.533 1.00 0.00 H new ATOM 0 HD11 ILE A 520 4.551 -11.108 6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 520 2.859 -10.752 7.363 1.00 0.00 H new ATOM 0 HD13 ILE A 520 3.249 -12.186 6.384 1.00 0.00 H new ATOM 1330 N LYS A 521 -1.033 -11.825 4.029 1.00 0.00 N ATOM 1331 CA LYS A 521 -2.328 -11.982 3.354 1.00 0.00 C ATOM 1332 C LYS A 521 -3.386 -11.002 3.896 1.00 0.00 C ATOM 1333 O LYS A 521 -3.435 -10.744 5.101 1.00 0.00 O ATOM 1334 CB LYS A 521 -2.792 -13.440 3.556 1.00 0.00 C ATOM 1335 CG LYS A 521 -1.791 -14.540 3.154 1.00 0.00 C ATOM 1336 CD LYS A 521 -1.360 -14.494 1.683 1.00 0.00 C ATOM 1337 CE LYS A 521 -0.373 -15.636 1.412 1.00 0.00 C ATOM 1338 NZ LYS A 521 0.092 -15.633 0.004 1.00 0.00 N ATOM 0 H LYS A 521 -1.090 -11.995 5.033 1.00 0.00 H new ATOM 0 HA LYS A 521 -2.209 -11.755 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 521 -3.044 -13.576 4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 521 -3.709 -13.588 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 521 -0.905 -14.456 3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 521 -2.237 -15.513 3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 521 -2.230 -14.587 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 521 -0.895 -13.534 1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 521 0.484 -15.543 2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 521 -0.849 -16.590 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 521 0.758 -16.418 -0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 521 -0.724 -15.747 -0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 521 0.568 -14.732 -0.202 1.00 0.00 H new ATOM 1352 N ASP A 522 -4.237 -10.473 3.003 1.00 0.00 N ATOM 1353 CA ASP A 522 -5.387 -9.587 3.338 1.00 0.00 C ATOM 1354 C ASP A 522 -4.969 -8.337 4.155 1.00 0.00 C ATOM 1355 O ASP A 522 -5.696 -7.851 5.022 1.00 0.00 O ATOM 1356 CB ASP A 522 -6.486 -10.432 4.020 1.00 0.00 C ATOM 1357 CG ASP A 522 -7.844 -9.712 4.121 1.00 0.00 C ATOM 1358 OD1 ASP A 522 -8.307 -9.150 3.100 1.00 0.00 O ATOM 1359 OD2 ASP A 522 -8.471 -9.761 5.207 1.00 0.00 O ATOM 0 H ASP A 522 -4.151 -10.647 2.002 1.00 0.00 H new ATOM 0 HA ASP A 522 -5.796 -9.171 2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -6.617 -11.360 3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 522 -6.154 -10.705 5.022 1.00 0.00 H new ATOM 1364 N LYS A 523 -3.759 -7.826 3.901 1.00 0.00 N ATOM 1365 CA LYS A 523 -3.154 -6.718 4.642 1.00 0.00 C ATOM 1366 C LYS A 523 -3.868 -5.381 4.341 1.00 0.00 C ATOM 1367 O LYS A 523 -3.981 -5.027 3.158 1.00 0.00 O ATOM 1368 CB LYS A 523 -1.661 -6.639 4.264 1.00 0.00 C ATOM 1369 CG LYS A 523 -0.874 -5.597 5.082 1.00 0.00 C ATOM 1370 CD LYS A 523 -0.563 -6.049 6.515 1.00 0.00 C ATOM 1371 CE LYS A 523 0.233 -4.952 7.234 1.00 0.00 C ATOM 1372 NZ LYS A 523 0.547 -5.320 8.640 1.00 0.00 N ATOM 0 H LYS A 523 -3.160 -8.182 3.156 1.00 0.00 H new ATOM 0 HA LYS A 523 -3.259 -6.898 5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 523 -1.206 -7.619 4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 523 -1.575 -6.398 3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 523 0.062 -5.376 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 523 -1.445 -4.669 5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 523 -1.489 -6.253 7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 523 0.008 -6.977 6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 523 1.160 -4.764 6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 523 -0.337 -4.023 7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 523 1.085 -4.551 9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 523 -0.338 -5.475 9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 523 1.114 -6.192 8.652 1.00 0.00 H new ATOM 1386 N PRO A 524 -4.294 -4.612 5.364 1.00 0.00 N ATOM 1387 CA PRO A 524 -4.771 -3.251 5.193 1.00 0.00 C ATOM 1388 C PRO A 524 -3.564 -2.303 5.160 1.00 0.00 C ATOM 1389 O PRO A 524 -2.686 -2.371 6.019 1.00 0.00 O ATOM 1390 CB PRO A 524 -5.687 -2.991 6.391 1.00 0.00 C ATOM 1391 CG PRO A 524 -5.086 -3.852 7.505 1.00 0.00 C ATOM 1392 CD PRO A 524 -4.341 -4.975 6.775 1.00 0.00 C ATOM 0 HA PRO A 524 -5.317 -3.093 4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 524 -5.699 -1.936 6.664 1.00 0.00 H new ATOM 0 HB3 PRO A 524 -6.717 -3.277 6.176 1.00 0.00 H new ATOM 0 HG2 PRO A 524 -4.409 -3.271 8.132 1.00 0.00 H new ATOM 0 HG3 PRO A 524 -5.862 -4.252 8.158 1.00 0.00 H new ATOM 0 HD2 PRO A 524 -3.334 -5.093 7.176 1.00 0.00 H new ATOM 0 HD3 PRO A 524 -4.852 -5.928 6.911 1.00 0.00 H new ATOM 1400 N VAL A 525 -3.530 -1.416 4.166 1.00 0.00 N ATOM 1401 CA VAL A 525 -2.488 -0.394 3.974 1.00 0.00 C ATOM 1402 C VAL A 525 -3.106 1.001 3.988 1.00 0.00 C ATOM 1403 O VAL A 525 -4.159 1.218 3.393 1.00 0.00 O ATOM 1404 CB VAL A 525 -1.669 -0.615 2.682 1.00 0.00 C ATOM 1405 CG1 VAL A 525 -0.712 -1.798 2.884 1.00 0.00 C ATOM 1406 CG2 VAL A 525 -2.511 -0.838 1.410 1.00 0.00 C ATOM 0 H VAL A 525 -4.250 -1.384 3.444 1.00 0.00 H new ATOM 0 HA VAL A 525 -1.791 -0.486 4.807 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.125 0.314 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -0.133 -1.957 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.036 -1.582 3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -1.287 -2.696 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -1.849 -0.984 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -3.137 -1.721 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -3.143 0.033 1.235 1.00 0.00 H new ATOM 1416 N GLN A 526 -2.472 1.930 4.704 1.00 0.00 N ATOM 1417 CA GLN A 526 -2.963 3.295 4.895 1.00 0.00 C ATOM 1418 C GLN A 526 -2.654 4.137 3.653 1.00 0.00 C ATOM 1419 O GLN A 526 -1.522 4.138 3.172 1.00 0.00 O ATOM 1420 CB GLN A 526 -2.321 3.904 6.151 1.00 0.00 C ATOM 1421 CG GLN A 526 -3.097 5.144 6.629 1.00 0.00 C ATOM 1422 CD GLN A 526 -2.444 5.795 7.845 1.00 0.00 C ATOM 1423 OE1 GLN A 526 -1.811 6.838 7.758 1.00 0.00 O ATOM 1424 NE2 GLN A 526 -2.552 5.218 9.023 1.00 0.00 N ATOM 0 H GLN A 526 -1.586 1.751 5.176 1.00 0.00 H new ATOM 0 HA GLN A 526 -4.044 3.280 5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 526 -2.295 3.159 6.947 1.00 0.00 H new ATOM 0 HB3 GLN A 526 -1.288 4.179 5.938 1.00 0.00 H new ATOM 0 HG2 GLN A 526 -3.156 5.869 5.818 1.00 0.00 H new ATOM 0 HG3 GLN A 526 -4.119 4.858 6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 526 -3.075 4.348 9.119 1.00 0.00 H new ATOM 0 HE22 GLN A 526 -2.112 5.641 9.840 1.00 0.00 H new ATOM 1433 N ILE A 527 -3.649 4.860 3.141 1.00 0.00 N ATOM 1434 CA ILE A 527 -3.582 5.616 1.882 1.00 0.00 C ATOM 1435 C ILE A 527 -3.592 7.118 2.191 1.00 0.00 C ATOM 1436 O ILE A 527 -4.430 7.595 2.959 1.00 0.00 O ATOM 1437 CB ILE A 527 -4.771 5.219 0.968 1.00 0.00 C ATOM 1438 CG1 ILE A 527 -4.927 3.693 0.777 1.00 0.00 C ATOM 1439 CG2 ILE A 527 -4.677 5.900 -0.407 1.00 0.00 C ATOM 1440 CD1 ILE A 527 -3.702 2.971 0.207 1.00 0.00 C ATOM 0 H ILE A 527 -4.555 4.941 3.603 1.00 0.00 H new ATOM 0 HA ILE A 527 -2.659 5.380 1.353 1.00 0.00 H new ATOM 0 HB ILE A 527 -5.659 5.571 1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 527 -5.174 3.247 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 527 -5.774 3.512 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 527 -5.526 5.599 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 527 -4.688 6.982 -0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 527 -3.751 5.602 -0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 527 -3.918 1.907 0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 527 -3.462 3.380 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 527 -2.853 3.111 0.876 1.00 0.00 H new ATOM 1452 N ARG A 528 -2.668 7.865 1.580 1.00 0.00 N ATOM 1453 CA ARG A 528 -2.458 9.301 1.812 1.00 0.00 C ATOM 1454 C ARG A 528 -2.219 10.030 0.473 1.00 0.00 C ATOM 1455 O ARG A 528 -1.066 10.126 0.038 1.00 0.00 O ATOM 1456 CB ARG A 528 -1.257 9.489 2.757 1.00 0.00 C ATOM 1457 CG ARG A 528 -1.472 9.060 4.215 1.00 0.00 C ATOM 1458 CD ARG A 528 -0.207 9.407 5.015 1.00 0.00 C ATOM 1459 NE ARG A 528 -0.160 8.711 6.310 1.00 0.00 N ATOM 1460 CZ ARG A 528 0.877 8.652 7.134 1.00 0.00 C ATOM 1461 NH1 ARG A 528 2.017 9.268 6.890 1.00 0.00 N ATOM 1462 NH2 ARG A 528 0.764 7.948 8.235 1.00 0.00 N ATOM 0 H ARG A 528 -2.025 7.478 0.889 1.00 0.00 H new ATOM 0 HA ARG A 528 -3.347 9.730 2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 528 -0.413 8.928 2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 528 -0.974 10.542 2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 528 -2.339 9.570 4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 528 -1.674 7.990 4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 528 0.674 9.143 4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 528 -0.168 10.484 5.181 1.00 0.00 H new ATOM 0 HE ARG A 528 -1.008 8.226 6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 528 2.127 9.818 6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 528 2.789 9.194 7.553 1.00 0.00 H new ATOM 0 HH21 ARG A 528 -0.108 7.461 8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 528 1.548 7.888 8.884 1.00 0.00 H new ATOM 1476 N PRO A 529 -3.278 10.530 -0.197 1.00 0.00 N ATOM 1477 CA PRO A 529 -3.148 11.357 -1.395 1.00 0.00 C ATOM 1478 C PRO A 529 -2.375 12.643 -1.084 1.00 0.00 C ATOM 1479 O PRO A 529 -2.653 13.309 -0.084 1.00 0.00 O ATOM 1480 CB PRO A 529 -4.579 11.640 -1.872 1.00 0.00 C ATOM 1481 CG PRO A 529 -5.393 10.498 -1.262 1.00 0.00 C ATOM 1482 CD PRO A 529 -4.684 10.266 0.072 1.00 0.00 C ATOM 0 HA PRO A 529 -2.580 10.854 -2.177 1.00 0.00 H new ATOM 0 HB2 PRO A 529 -4.932 12.612 -1.528 1.00 0.00 H new ATOM 0 HB3 PRO A 529 -4.646 11.644 -2.960 1.00 0.00 H new ATOM 0 HG2 PRO A 529 -6.439 10.773 -1.124 1.00 0.00 H new ATOM 0 HG3 PRO A 529 -5.378 9.607 -1.890 1.00 0.00 H new ATOM 0 HD2 PRO A 529 -5.070 10.931 0.845 1.00 0.00 H new ATOM 0 HD3 PRO A 529 -4.833 9.246 0.426 1.00 0.00 H new ATOM 1490 N TRP A 530 -1.388 12.981 -1.917 1.00 0.00 N ATOM 1491 CA TRP A 530 -0.482 14.110 -1.681 1.00 0.00 C ATOM 1492 C TRP A 530 -1.086 15.458 -2.113 1.00 0.00 C ATOM 1493 O TRP A 530 -1.834 15.541 -3.091 1.00 0.00 O ATOM 1494 CB TRP A 530 0.846 13.835 -2.397 1.00 0.00 C ATOM 1495 CG TRP A 530 1.956 14.783 -2.066 1.00 0.00 C ATOM 1496 CD1 TRP A 530 2.249 15.920 -2.737 1.00 0.00 C ATOM 1497 CD2 TRP A 530 2.934 14.697 -0.984 1.00 0.00 C ATOM 1498 NE1 TRP A 530 3.325 16.548 -2.143 1.00 0.00 N ATOM 1499 CE2 TRP A 530 3.794 15.834 -1.060 1.00 0.00 C ATOM 1500 CE3 TRP A 530 3.194 13.762 0.042 1.00 0.00 C ATOM 1501 CZ2 TRP A 530 4.858 16.031 -0.168 1.00 0.00 C ATOM 1502 CZ3 TRP A 530 4.261 13.949 0.942 1.00 0.00 C ATOM 1503 CH2 TRP A 530 5.092 15.080 0.839 1.00 0.00 C ATOM 0 H TRP A 530 -1.193 12.476 -2.781 1.00 0.00 H new ATOM 0 HA TRP A 530 -0.312 14.196 -0.608 1.00 0.00 H new ATOM 0 HB2 TRP A 530 1.169 12.823 -2.153 1.00 0.00 H new ATOM 0 HB3 TRP A 530 0.673 13.864 -3.473 1.00 0.00 H new ATOM 0 HD1 TRP A 530 1.721 16.282 -3.607 1.00 0.00 H new ATOM 0 HE1 TRP A 530 3.724 17.430 -2.465 1.00 0.00 H new ATOM 0 HE3 TRP A 530 2.565 12.890 0.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 530 5.490 16.903 -0.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 530 4.443 13.219 1.717 1.00 0.00 H new ATOM 0 HH2 TRP A 530 5.908 15.217 1.533 1.00 0.00 H new