USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 881 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 593 HIS : no HD1:sc= -1.7 X(o=-1.4,f=-1.6!) USER MOD Set 1.2: A 597 SER OG : rot 97:sc= 0.275 USER MOD Set 2.1: A 515 SER OG : rot 78:sc= 0.351 USER MOD Set 2.2: A 554 THR OG1 : rot -23:sc= 0.4 USER MOD Set 3.1: A 543 THR OG1 : rot 81:sc= 0.0312 USER MOD Set 3.2: A 574 TYR OH : rot 180:sc= -0.128 USER MOD Single : A 500 SER OG : rot -25:sc= -2.19! USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 502 ASN : amide:sc= -1.72! C(o=-1.7!,f=-1.2!) USER MOD Single : A 516 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 522 THR OG1 : rot -65:sc= -0.246 USER MOD Single : A 525 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot 87:sc= 0.87 USER MOD Single : A 532 HIS : no HE2:sc= -2.44! C(o=-2.4!,f=-5.8!) USER MOD Single : A 537 THR OG1 : rot 180:sc= 0 USER MOD Single : A 538 CYS SG : rot -114:sc= 0.0656 USER MOD Single : A 539 ASN : amide:sc= -2.18! C(o=-2.2!,f=-5.3!) USER MOD Single : A 544 THR OG1 : rot 180:sc= 0 USER MOD Single : A 545 SER OG : rot -159:sc= -0.674 USER MOD Single : A 547 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 549 ASN : amide:sc= -3.27! C(o=-3.3!,f=-15!) USER MOD Single : A 559 LYS NZ :NH3+ -152:sc= -0.0847 (180deg=-0.584) USER MOD Single : A 560 THR OG1 : rot 180:sc= -0.418 USER MOD Single : A 575 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 577 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 580 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.29) USER MOD Single : A 587 THR OG1 : rot 82:sc= 0.0462 USER MOD Single : A 589 SER OG : rot -33:sc= 1.16 USER MOD Single : A 595 MET CE :methyl 167:sc= 0 (180deg=-0.336) USER MOD Single : A 596 THR OG1 : rot 180:sc= 0 USER MOD Single : A 605 SER OG : rot 105:sc= 1.24 USER MOD Single : A 606 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 112 N ILE A 490 -14.316 -0.026 -9.698 1.00 0.00 N ATOM 113 CA ILE A 490 -13.204 0.851 -9.353 1.00 0.00 C ATOM 114 C ILE A 490 -13.210 2.089 -10.243 1.00 0.00 C ATOM 115 O ILE A 490 -12.891 3.190 -9.792 1.00 0.00 O ATOM 116 CB ILE A 490 -11.876 0.104 -9.518 1.00 0.00 C ATOM 117 CG1 ILE A 490 -11.849 -1.119 -8.586 1.00 0.00 C ATOM 118 CG2 ILE A 490 -10.714 1.044 -9.179 1.00 0.00 C ATOM 119 CD1 ILE A 490 -11.381 -0.710 -7.185 1.00 0.00 C ATOM 0 HA ILE A 490 -13.316 1.161 -8.314 1.00 0.00 H new ATOM 0 HB ILE A 490 -11.776 -0.233 -10.550 1.00 0.00 H new ATOM 0 HG12 ILE A 490 -12.843 -1.564 -8.530 1.00 0.00 H new ATOM 0 HG13 ILE A 490 -11.182 -1.880 -8.992 1.00 0.00 H new ATOM 0 HG21 ILE A 490 -9.770 0.512 -9.296 1.00 0.00 H new ATOM 0 HG22 ILE A 490 -10.733 1.903 -9.850 1.00 0.00 H new ATOM 0 HG23 ILE A 490 -10.812 1.387 -8.149 1.00 0.00 H new ATOM 0 HD11 ILE A 490 -11.367 -1.586 -6.536 1.00 0.00 H new ATOM 0 HD12 ILE A 490 -10.378 -0.287 -7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 490 -12.065 0.034 -6.776 1.00 0.00 H new ATOM 131 N LEU A 491 -13.576 1.903 -11.506 1.00 0.00 N ATOM 132 CA LEU A 491 -13.624 3.017 -12.447 1.00 0.00 C ATOM 133 C LEU A 491 -14.470 4.152 -11.879 1.00 0.00 C ATOM 134 O LEU A 491 -13.982 5.264 -11.678 1.00 0.00 O ATOM 135 CB LEU A 491 -14.213 2.552 -13.784 1.00 0.00 C ATOM 136 CG LEU A 491 -13.808 3.526 -14.900 1.00 0.00 C ATOM 137 CD1 LEU A 491 -12.441 3.127 -15.468 1.00 0.00 C ATOM 138 CD2 LEU A 491 -14.851 3.483 -16.020 1.00 0.00 C ATOM 0 H LEU A 491 -13.842 1.000 -11.900 1.00 0.00 H new ATOM 0 HA LEU A 491 -12.609 3.379 -12.610 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -13.858 1.549 -14.018 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -15.299 2.497 -13.713 1.00 0.00 H new ATOM 0 HG LEU A 491 -13.750 4.534 -14.490 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -12.159 3.822 -16.259 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -11.694 3.158 -14.675 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -12.497 2.117 -15.874 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -14.563 4.174 -16.812 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -14.909 2.472 -16.424 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -15.824 3.771 -15.622 1.00 0.00 H new ATOM 150 N GLY A 492 -15.740 3.861 -11.617 1.00 0.00 N ATOM 151 CA GLY A 492 -16.643 4.863 -11.066 1.00 0.00 C ATOM 152 C GLY A 492 -16.014 5.545 -9.857 1.00 0.00 C ATOM 153 O GLY A 492 -16.000 6.772 -9.762 1.00 0.00 O ATOM 0 H GLY A 492 -16.164 2.947 -11.776 1.00 0.00 H new ATOM 0 HA2 GLY A 492 -16.879 5.606 -11.828 1.00 0.00 H new ATOM 0 HA3 GLY A 492 -17.583 4.393 -10.777 1.00 0.00 H new ATOM 157 N LEU A 493 -15.490 4.740 -8.940 1.00 0.00 N ATOM 158 CA LEU A 493 -14.855 5.276 -7.742 1.00 0.00 C ATOM 159 C LEU A 493 -13.515 5.914 -8.098 1.00 0.00 C ATOM 160 O LEU A 493 -12.910 6.603 -7.280 1.00 0.00 O ATOM 161 CB LEU A 493 -14.637 4.156 -6.717 1.00 0.00 C ATOM 162 CG LEU A 493 -15.894 3.991 -5.856 1.00 0.00 C ATOM 163 CD1 LEU A 493 -17.082 3.640 -6.751 1.00 0.00 C ATOM 164 CD2 LEU A 493 -15.671 2.868 -4.836 1.00 0.00 C ATOM 0 H LEU A 493 -15.492 3.722 -9.002 1.00 0.00 H new ATOM 0 HA LEU A 493 -15.508 6.035 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -14.410 3.221 -7.229 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -13.780 4.390 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 493 -16.099 4.923 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -17.976 3.523 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -17.240 4.439 -7.475 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -16.878 2.708 -7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -16.565 2.750 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -15.465 1.935 -5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -14.824 3.119 -4.198 1.00 0.00 H new ATOM 176 N GLY A 494 -13.058 5.678 -9.322 1.00 0.00 N ATOM 177 CA GLY A 494 -11.787 6.234 -9.774 1.00 0.00 C ATOM 178 C GLY A 494 -11.884 7.744 -9.961 1.00 0.00 C ATOM 179 O GLY A 494 -10.952 8.480 -9.639 1.00 0.00 O ATOM 0 H GLY A 494 -13.544 5.110 -10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 494 -11.007 6.004 -9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 494 -11.496 5.766 -10.714 1.00 0.00 H new ATOM 183 N ILE A 495 -13.017 8.200 -10.487 1.00 0.00 N ATOM 184 CA ILE A 495 -13.224 9.627 -10.720 1.00 0.00 C ATOM 185 C ILE A 495 -13.830 10.294 -9.488 1.00 0.00 C ATOM 186 O ILE A 495 -13.486 11.428 -9.152 1.00 0.00 O ATOM 187 CB ILE A 495 -14.153 9.829 -11.918 1.00 0.00 C ATOM 188 CG1 ILE A 495 -13.542 9.163 -13.156 1.00 0.00 C ATOM 189 CG2 ILE A 495 -14.332 11.325 -12.182 1.00 0.00 C ATOM 190 CD1 ILE A 495 -14.621 8.984 -14.226 1.00 0.00 C ATOM 0 H ILE A 495 -13.801 7.607 -10.759 1.00 0.00 H new ATOM 0 HA ILE A 495 -12.256 10.085 -10.926 1.00 0.00 H new ATOM 0 HB ILE A 495 -15.123 9.380 -11.703 1.00 0.00 H new ATOM 0 HG12 ILE A 495 -12.727 9.773 -13.545 1.00 0.00 H new ATOM 0 HG13 ILE A 495 -13.116 8.196 -12.889 1.00 0.00 H new ATOM 0 HG21 ILE A 495 -14.994 11.467 -13.036 1.00 0.00 H new ATOM 0 HG22 ILE A 495 -14.767 11.800 -11.303 1.00 0.00 H new ATOM 0 HG23 ILE A 495 -13.363 11.775 -12.396 1.00 0.00 H new ATOM 0 HD11 ILE A 495 -14.186 8.510 -15.106 1.00 0.00 H new ATOM 0 HD12 ILE A 495 -15.421 8.356 -13.834 1.00 0.00 H new ATOM 0 HD13 ILE A 495 -15.026 9.958 -14.501 1.00 0.00 H new ATOM 202 N ALA A 496 -14.737 9.588 -8.822 1.00 0.00 N ATOM 203 CA ALA A 496 -15.390 10.123 -7.630 1.00 0.00 C ATOM 204 C ALA A 496 -14.393 10.275 -6.486 1.00 0.00 C ATOM 205 O ALA A 496 -14.520 11.174 -5.655 1.00 0.00 O ATOM 206 CB ALA A 496 -16.522 9.192 -7.195 1.00 0.00 C ATOM 0 H ALA A 496 -15.036 8.649 -9.084 1.00 0.00 H new ATOM 0 HA ALA A 496 -15.794 11.105 -7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 496 -17.005 9.597 -6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 496 -17.254 9.109 -7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 496 -16.116 8.206 -6.970 1.00 0.00 H new ATOM 212 N PHE A 497 -13.407 9.387 -6.447 1.00 0.00 N ATOM 213 CA PHE A 497 -12.396 9.425 -5.396 1.00 0.00 C ATOM 214 C PHE A 497 -11.810 10.830 -5.253 1.00 0.00 C ATOM 215 O PHE A 497 -11.047 11.098 -4.325 1.00 0.00 O ATOM 216 CB PHE A 497 -11.277 8.422 -5.718 1.00 0.00 C ATOM 217 CG PHE A 497 -11.445 7.164 -4.891 1.00 0.00 C ATOM 218 CD1 PHE A 497 -12.719 6.620 -4.682 1.00 0.00 C ATOM 219 CD2 PHE A 497 -10.320 6.544 -4.333 1.00 0.00 C ATOM 220 CE1 PHE A 497 -12.866 5.457 -3.916 1.00 0.00 C ATOM 221 CE2 PHE A 497 -10.468 5.382 -3.569 1.00 0.00 C ATOM 222 CZ PHE A 497 -11.740 4.838 -3.360 1.00 0.00 C ATOM 0 H PHE A 497 -13.286 8.636 -7.126 1.00 0.00 H new ATOM 0 HA PHE A 497 -12.868 9.154 -4.452 1.00 0.00 H new ATOM 0 HB2 PHE A 497 -11.297 8.173 -6.779 1.00 0.00 H new ATOM 0 HB3 PHE A 497 -10.306 8.873 -5.514 1.00 0.00 H new ATOM 0 HD1 PHE A 497 -13.587 7.097 -5.111 1.00 0.00 H new ATOM 0 HD2 PHE A 497 -9.338 6.963 -4.493 1.00 0.00 H new ATOM 0 HE1 PHE A 497 -13.848 5.038 -3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 497 -9.600 4.904 -3.140 1.00 0.00 H new ATOM 0 HZ PHE A 497 -11.853 3.941 -2.770 1.00 0.00 H new ATOM 232 N ALA A 498 -12.168 11.722 -6.169 1.00 0.00 N ATOM 233 CA ALA A 498 -11.663 13.090 -6.117 1.00 0.00 C ATOM 234 C ALA A 498 -11.834 13.666 -4.714 1.00 0.00 C ATOM 235 O ALA A 498 -10.983 14.412 -4.231 1.00 0.00 O ATOM 236 CB ALA A 498 -12.408 13.964 -7.127 1.00 0.00 C ATOM 0 H ALA A 498 -12.798 11.527 -6.947 1.00 0.00 H new ATOM 0 HA ALA A 498 -10.602 13.077 -6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 498 -12.023 14.983 -7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 498 -12.260 13.566 -8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 498 -13.472 13.967 -6.891 1.00 0.00 H new ATOM 242 N GLY A 499 -12.941 13.312 -4.065 1.00 0.00 N ATOM 243 CA GLY A 499 -13.216 13.797 -2.716 1.00 0.00 C ATOM 244 C GLY A 499 -12.592 12.878 -1.670 1.00 0.00 C ATOM 245 O GLY A 499 -12.581 13.190 -0.481 1.00 0.00 O ATOM 0 H GLY A 499 -13.657 12.695 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -12.822 14.807 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -14.293 13.856 -2.559 1.00 0.00 H new ATOM 249 N SER A 500 -12.071 11.743 -2.127 1.00 0.00 N ATOM 250 CA SER A 500 -11.444 10.780 -1.228 1.00 0.00 C ATOM 251 C SER A 500 -10.498 11.479 -0.257 1.00 0.00 C ATOM 252 O SER A 500 -10.053 10.886 0.725 1.00 0.00 O ATOM 253 CB SER A 500 -10.668 9.737 -2.031 1.00 0.00 C ATOM 254 OG SER A 500 -10.183 8.732 -1.149 1.00 0.00 O ATOM 0 H SER A 500 -12.070 11.469 -3.109 1.00 0.00 H new ATOM 0 HA SER A 500 -12.232 10.288 -0.658 1.00 0.00 H new ATOM 0 HB2 SER A 500 -11.312 9.292 -2.789 1.00 0.00 H new ATOM 0 HB3 SER A 500 -9.837 10.209 -2.555 1.00 0.00 H new ATOM 0 HG SER A 500 -10.099 9.102 -0.246 1.00 0.00 H new ATOM 260 N LYS A 501 -10.187 12.739 -0.541 1.00 0.00 N ATOM 261 CA LYS A 501 -9.285 13.501 0.313 1.00 0.00 C ATOM 262 C LYS A 501 -10.003 13.923 1.595 1.00 0.00 C ATOM 263 O LYS A 501 -9.743 14.992 2.146 1.00 0.00 O ATOM 264 CB LYS A 501 -8.777 14.741 -0.445 1.00 0.00 C ATOM 265 CG LYS A 501 -7.244 14.813 -0.380 1.00 0.00 C ATOM 266 CD LYS A 501 -6.792 15.118 1.055 1.00 0.00 C ATOM 267 CE LYS A 501 -6.764 16.633 1.281 1.00 0.00 C ATOM 268 NZ LYS A 501 -6.807 16.918 2.743 1.00 0.00 N1+ ATOM 0 H LYS A 501 -10.543 13.250 -1.349 1.00 0.00 H new ATOM 0 HA LYS A 501 -8.434 12.875 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 501 -9.102 14.699 -1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 501 -9.209 15.643 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 501 -6.813 13.869 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 501 -6.879 15.586 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 501 -7.470 14.648 1.767 1.00 0.00 H new ATOM 0 HD3 LYS A 501 -5.802 14.697 1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 501 -5.862 17.060 0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 501 -7.613 17.101 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 -6.788 17.946 2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 -7.680 16.523 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 -5.983 16.483 3.206 1.00 0.00 H new ATOM 282 N ASN A 502 -10.906 13.065 2.064 1.00 0.00 N ATOM 283 CA ASN A 502 -11.658 13.338 3.285 1.00 0.00 C ATOM 284 C ASN A 502 -11.196 12.411 4.406 1.00 0.00 C ATOM 285 O ASN A 502 -10.534 11.403 4.156 1.00 0.00 O ATOM 286 CB ASN A 502 -13.155 13.133 3.032 1.00 0.00 C ATOM 287 CG ASN A 502 -13.734 14.342 2.305 1.00 0.00 C ATOM 288 OD1 ASN A 502 -13.266 14.701 1.224 1.00 0.00 O ATOM 289 ND2 ASN A 502 -14.729 14.998 2.837 1.00 0.00 N ATOM 0 H ASN A 502 -11.134 12.177 1.618 1.00 0.00 H new ATOM 0 HA ASN A 502 -11.481 14.372 3.582 1.00 0.00 H new ATOM 0 HB2 ASN A 502 -13.311 12.233 2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 502 -13.675 12.985 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 502 -15.120 15.809 2.357 1.00 0.00 H new ATOM 0 HD22 ASN A 502 -15.116 14.700 3.732 1.00 0.00 H new ATOM 296 N ASP A 503 -11.548 12.758 5.639 1.00 0.00 N ATOM 297 CA ASP A 503 -11.160 11.948 6.790 1.00 0.00 C ATOM 298 C ASP A 503 -12.057 10.719 6.909 1.00 0.00 C ATOM 299 O ASP A 503 -11.756 9.792 7.662 1.00 0.00 O ATOM 300 CB ASP A 503 -11.257 12.778 8.071 1.00 0.00 C ATOM 301 CG ASP A 503 -10.409 14.037 7.942 1.00 0.00 C ATOM 302 OD1 ASP A 503 -10.423 14.631 6.875 1.00 0.00 O ATOM 303 OD2 ASP A 503 -9.757 14.390 8.910 1.00 0.00 O1- ATOM 0 H ASP A 503 -12.097 13.587 5.867 1.00 0.00 H new ATOM 0 HA ASP A 503 -10.130 11.620 6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 503 -12.296 13.047 8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 503 -10.919 12.188 8.923 1.00 0.00 H new ATOM 308 N GLU A 504 -13.156 10.717 6.163 1.00 0.00 N ATOM 309 CA GLU A 504 -14.086 9.596 6.193 1.00 0.00 C ATOM 310 C GLU A 504 -13.619 8.496 5.250 1.00 0.00 C ATOM 311 O GLU A 504 -13.390 7.360 5.666 1.00 0.00 O ATOM 312 CB GLU A 504 -15.484 10.064 5.783 1.00 0.00 C ATOM 313 CG GLU A 504 -16.488 8.934 6.011 1.00 0.00 C ATOM 314 CD GLU A 504 -17.910 9.456 5.829 1.00 0.00 C ATOM 315 OE1 GLU A 504 -18.151 10.132 4.843 1.00 0.00 O ATOM 316 OE2 GLU A 504 -18.737 9.172 6.680 1.00 0.00 O1- ATOM 0 H GLU A 504 -13.423 11.474 5.534 1.00 0.00 H new ATOM 0 HA GLU A 504 -14.121 9.202 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -15.770 10.941 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -15.487 10.361 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -16.298 8.121 5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -16.367 8.526 7.014 1.00 0.00 H new ATOM 323 N VAL A 505 -13.473 8.844 3.977 1.00 0.00 N ATOM 324 CA VAL A 505 -13.027 7.883 2.977 1.00 0.00 C ATOM 325 C VAL A 505 -11.663 7.315 3.361 1.00 0.00 C ATOM 326 O VAL A 505 -11.379 6.143 3.123 1.00 0.00 O ATOM 327 CB VAL A 505 -12.942 8.563 1.605 1.00 0.00 C ATOM 328 CG1 VAL A 505 -12.055 7.738 0.671 1.00 0.00 C ATOM 329 CG2 VAL A 505 -14.347 8.677 1.006 1.00 0.00 C ATOM 0 H VAL A 505 -13.656 9.780 3.615 1.00 0.00 H new ATOM 0 HA VAL A 505 -13.746 7.065 2.929 1.00 0.00 H new ATOM 0 HB VAL A 505 -12.512 9.558 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 505 -11.998 8.226 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 505 -11.054 7.658 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 505 -12.479 6.741 0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 505 -14.289 9.160 0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 505 -14.776 7.681 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 505 -14.978 9.271 1.668 1.00 0.00 H new ATOM 339 N LEU A 506 -10.822 8.156 3.952 1.00 0.00 N ATOM 340 CA LEU A 506 -9.490 7.729 4.361 1.00 0.00 C ATOM 341 C LEU A 506 -9.574 6.698 5.484 1.00 0.00 C ATOM 342 O LEU A 506 -8.982 5.623 5.398 1.00 0.00 O ATOM 343 CB LEU A 506 -8.679 8.937 4.836 1.00 0.00 C ATOM 344 CG LEU A 506 -7.213 8.534 5.035 1.00 0.00 C ATOM 345 CD1 LEU A 506 -6.540 8.299 3.675 1.00 0.00 C ATOM 346 CD2 LEU A 506 -6.480 9.652 5.781 1.00 0.00 C ATOM 0 H LEU A 506 -11.037 9.132 4.158 1.00 0.00 H new ATOM 0 HA LEU A 506 -8.997 7.272 3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -8.748 9.743 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -9.091 9.318 5.770 1.00 0.00 H new ATOM 0 HG LEU A 506 -7.170 7.612 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -5.499 8.013 3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -7.061 7.502 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -6.582 9.215 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -5.437 9.370 5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -6.530 10.572 5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -6.950 9.811 6.751 1.00 0.00 H new ATOM 358 N GLY A 507 -10.306 7.036 6.540 1.00 0.00 N ATOM 359 CA GLY A 507 -10.451 6.133 7.676 1.00 0.00 C ATOM 360 C GLY A 507 -11.244 4.885 7.300 1.00 0.00 C ATOM 361 O GLY A 507 -11.165 3.863 7.980 1.00 0.00 O ATOM 0 H GLY A 507 -10.804 7.921 6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -9.465 5.843 8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -10.953 6.652 8.493 1.00 0.00 H new ATOM 365 N LEU A 508 -12.015 4.976 6.220 1.00 0.00 N ATOM 366 CA LEU A 508 -12.826 3.847 5.770 1.00 0.00 C ATOM 367 C LEU A 508 -12.031 2.930 4.840 1.00 0.00 C ATOM 368 O LEU A 508 -11.887 1.733 5.099 1.00 0.00 O ATOM 369 CB LEU A 508 -14.070 4.360 5.039 1.00 0.00 C ATOM 370 CG LEU A 508 -15.112 3.237 4.930 1.00 0.00 C ATOM 371 CD1 LEU A 508 -15.978 3.205 6.193 1.00 0.00 C ATOM 372 CD2 LEU A 508 -16.007 3.487 3.713 1.00 0.00 C ATOM 0 H LEU A 508 -12.096 5.813 5.643 1.00 0.00 H new ATOM 0 HA LEU A 508 -13.123 3.273 6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 508 -14.493 5.210 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 508 -13.798 4.714 4.044 1.00 0.00 H new ATOM 0 HG LEU A 508 -14.597 2.283 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 508 -16.715 2.406 6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 508 -15.346 3.026 7.063 1.00 0.00 H new ATOM 0 HD13 LEU A 508 -16.490 4.160 6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 508 -16.747 2.690 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 508 -16.516 4.444 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 508 -15.397 3.505 2.810 1.00 0.00 H new ATOM 384 N LEU A 509 -11.533 3.494 3.746 1.00 0.00 N ATOM 385 CA LEU A 509 -10.776 2.711 2.776 1.00 0.00 C ATOM 386 C LEU A 509 -9.559 2.053 3.425 1.00 0.00 C ATOM 387 O LEU A 509 -9.112 1.000 2.977 1.00 0.00 O ATOM 388 CB LEU A 509 -10.331 3.605 1.610 1.00 0.00 C ATOM 389 CG LEU A 509 -10.408 2.820 0.293 1.00 0.00 C ATOM 390 CD1 LEU A 509 -11.841 2.854 -0.248 1.00 0.00 C ATOM 391 CD2 LEU A 509 -9.469 3.454 -0.735 1.00 0.00 C ATOM 0 H LEU A 509 -11.638 4.481 3.509 1.00 0.00 H new ATOM 0 HA LEU A 509 -11.426 1.922 2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -10.966 4.489 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -9.312 3.955 1.776 1.00 0.00 H new ATOM 0 HG LEU A 509 -10.112 1.787 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -11.890 2.296 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -12.516 2.403 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -12.138 3.887 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -9.524 2.897 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -9.767 4.488 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -8.447 3.430 -0.358 1.00 0.00 H new ATOM 403 N LEU A 510 -9.027 2.668 4.477 1.00 0.00 N ATOM 404 CA LEU A 510 -7.866 2.101 5.157 1.00 0.00 C ATOM 405 C LEU A 510 -8.200 0.705 5.683 1.00 0.00 C ATOM 406 O LEU A 510 -7.642 -0.286 5.212 1.00 0.00 O ATOM 407 CB LEU A 510 -7.413 3.019 6.308 1.00 0.00 C ATOM 408 CG LEU A 510 -6.157 3.810 5.906 1.00 0.00 C ATOM 409 CD1 LEU A 510 -6.319 4.406 4.499 1.00 0.00 C ATOM 410 CD2 LEU A 510 -5.930 4.939 6.916 1.00 0.00 C ATOM 0 H LEU A 510 -9.373 3.543 4.872 1.00 0.00 H new ATOM 0 HA LEU A 510 -7.046 2.020 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 510 -8.216 3.709 6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 510 -7.205 2.422 7.196 1.00 0.00 H new ATOM 0 HG LEU A 510 -5.301 3.135 5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 510 -5.420 4.962 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 510 -6.475 3.602 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 510 -7.178 5.077 4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 510 -5.041 5.504 6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 510 -6.795 5.603 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 510 -5.793 4.515 7.911 1.00 0.00 H new ATOM 422 N PRO A 511 -9.101 0.601 6.629 1.00 0.00 N ATOM 423 CA PRO A 511 -9.502 -0.715 7.191 1.00 0.00 C ATOM 424 C PRO A 511 -9.805 -1.720 6.080 1.00 0.00 C ATOM 425 O PRO A 511 -9.622 -2.926 6.252 1.00 0.00 O ATOM 426 CB PRO A 511 -10.759 -0.422 8.031 1.00 0.00 C ATOM 427 CG PRO A 511 -11.036 1.050 7.915 1.00 0.00 C ATOM 428 CD PRO A 511 -9.820 1.711 7.261 1.00 0.00 C ATOM 0 HA PRO A 511 -8.707 -1.162 7.788 1.00 0.00 H new ATOM 0 HB2 PRO A 511 -11.608 -1.003 7.670 1.00 0.00 H new ATOM 0 HB3 PRO A 511 -10.600 -0.703 9.072 1.00 0.00 H new ATOM 0 HG2 PRO A 511 -11.931 1.223 7.317 1.00 0.00 H new ATOM 0 HG3 PRO A 511 -11.221 1.481 8.899 1.00 0.00 H new ATOM 0 HD2 PRO A 511 -10.120 2.459 6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 511 -9.199 2.219 7.999 1.00 0.00 H new ATOM 436 N ILE A 512 -10.263 -1.212 4.937 1.00 0.00 N ATOM 437 CA ILE A 512 -10.581 -2.073 3.800 1.00 0.00 C ATOM 438 C ILE A 512 -9.336 -2.318 2.951 1.00 0.00 C ATOM 439 O ILE A 512 -9.228 -3.335 2.266 1.00 0.00 O ATOM 440 CB ILE A 512 -11.662 -1.424 2.932 1.00 0.00 C ATOM 441 CG1 ILE A 512 -12.870 -1.058 3.799 1.00 0.00 C ATOM 442 CG2 ILE A 512 -12.100 -2.405 1.842 1.00 0.00 C ATOM 443 CD1 ILE A 512 -13.853 -0.222 2.976 1.00 0.00 C ATOM 0 H ILE A 512 -10.421 -0.218 4.774 1.00 0.00 H new ATOM 0 HA ILE A 512 -10.946 -3.025 4.185 1.00 0.00 H new ATOM 0 HB ILE A 512 -11.259 -0.522 2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -13.359 -1.962 4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -12.546 -0.498 4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 512 -12.870 -1.942 1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -11.243 -2.664 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -12.500 -3.308 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -14.713 0.039 3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -13.360 0.689 2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 512 -14.186 -0.798 2.113 1.00 0.00 H new ATOM 455 N ALA A 513 -8.403 -1.373 2.999 1.00 0.00 N ATOM 456 CA ALA A 513 -7.167 -1.483 2.228 1.00 0.00 C ATOM 457 C ALA A 513 -6.115 -2.271 2.999 1.00 0.00 C ATOM 458 O ALA A 513 -5.074 -2.633 2.452 1.00 0.00 O ATOM 459 CB ALA A 513 -6.628 -0.087 1.909 1.00 0.00 C ATOM 0 H ALA A 513 -8.477 -0.525 3.561 1.00 0.00 H new ATOM 0 HA ALA A 513 -7.388 -2.012 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 513 -5.706 -0.176 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 513 -7.367 0.464 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 513 -6.426 0.446 2.838 1.00 0.00 H new ATOM 465 N ALA A 514 -6.388 -2.527 4.274 1.00 0.00 N ATOM 466 CA ALA A 514 -5.450 -3.268 5.111 1.00 0.00 C ATOM 467 C ALA A 514 -5.593 -4.769 4.881 1.00 0.00 C ATOM 468 O ALA A 514 -4.935 -5.572 5.542 1.00 0.00 O ATOM 469 CB ALA A 514 -5.705 -2.950 6.586 1.00 0.00 C ATOM 0 H ALA A 514 -7.243 -2.236 4.748 1.00 0.00 H new ATOM 0 HA ALA A 514 -4.437 -2.967 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -5.001 -3.507 7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -5.572 -1.882 6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -6.724 -3.235 6.849 1.00 0.00 H new ATOM 475 N SER A 515 -6.454 -5.141 3.937 1.00 0.00 N ATOM 476 CA SER A 515 -6.673 -6.550 3.625 1.00 0.00 C ATOM 477 C SER A 515 -6.671 -7.391 4.898 1.00 0.00 C ATOM 478 O SER A 515 -5.681 -8.049 5.217 1.00 0.00 O ATOM 479 CB SER A 515 -5.581 -7.051 2.682 1.00 0.00 C ATOM 480 OG SER A 515 -5.637 -8.470 2.612 1.00 0.00 O ATOM 0 H SER A 515 -7.008 -4.491 3.379 1.00 0.00 H new ATOM 0 HA SER A 515 -7.645 -6.647 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 515 -5.716 -6.621 1.690 1.00 0.00 H new ATOM 0 HB3 SER A 515 -4.602 -6.731 3.038 1.00 0.00 H new ATOM 0 HG SER A 515 -6.370 -8.740 2.020 1.00 0.00 H new ATOM 486 N THR A 516 -7.785 -7.361 5.623 1.00 0.00 N ATOM 487 CA THR A 516 -7.898 -8.121 6.862 1.00 0.00 C ATOM 488 C THR A 516 -8.222 -9.584 6.573 1.00 0.00 C ATOM 489 O THR A 516 -7.715 -10.484 7.243 1.00 0.00 O ATOM 490 CB THR A 516 -8.991 -7.516 7.745 1.00 0.00 C ATOM 491 OG1 THR A 516 -10.194 -7.405 6.998 1.00 0.00 O ATOM 492 CG2 THR A 516 -8.553 -6.129 8.221 1.00 0.00 C ATOM 0 H THR A 516 -8.616 -6.823 5.376 1.00 0.00 H new ATOM 0 HA THR A 516 -6.941 -8.074 7.382 1.00 0.00 H new ATOM 0 HB THR A 516 -9.159 -8.159 8.609 1.00 0.00 H new ATOM 0 HG1 THR A 516 -10.896 -7.019 7.563 1.00 0.00 H new ATOM 0 HG21 THR A 516 -9.332 -5.698 8.850 1.00 0.00 H new ATOM 0 HG22 THR A 516 -7.630 -6.216 8.794 1.00 0.00 H new ATOM 0 HG23 THR A 516 -8.385 -5.484 7.358 1.00 0.00 H new ATOM 500 N ASP A 517 -9.069 -9.816 5.575 1.00 0.00 N ATOM 501 CA ASP A 517 -9.449 -11.178 5.213 1.00 0.00 C ATOM 502 C ASP A 517 -10.041 -11.221 3.807 1.00 0.00 C ATOM 503 O ASP A 517 -10.974 -11.978 3.541 1.00 0.00 O ATOM 504 CB ASP A 517 -10.471 -11.720 6.216 1.00 0.00 C ATOM 505 CG ASP A 517 -9.780 -12.068 7.530 1.00 0.00 C ATOM 506 OD1 ASP A 517 -9.084 -13.069 7.563 1.00 0.00 O ATOM 507 OD2 ASP A 517 -9.959 -11.329 8.484 1.00 0.00 O1- ATOM 0 H ASP A 517 -9.502 -9.087 5.007 1.00 0.00 H new ATOM 0 HA ASP A 517 -8.553 -11.799 5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 517 -11.250 -10.978 6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 517 -10.960 -12.605 5.807 1.00 0.00 H new ATOM 512 N LEU A 518 -9.490 -10.407 2.909 1.00 0.00 N ATOM 513 CA LEU A 518 -9.971 -10.366 1.531 1.00 0.00 C ATOM 514 C LEU A 518 -8.790 -10.289 0.562 1.00 0.00 C ATOM 515 O LEU A 518 -7.737 -9.748 0.902 1.00 0.00 O ATOM 516 CB LEU A 518 -10.885 -9.151 1.327 1.00 0.00 C ATOM 517 CG LEU A 518 -10.284 -7.922 2.029 1.00 0.00 C ATOM 518 CD1 LEU A 518 -10.614 -6.658 1.230 1.00 0.00 C ATOM 519 CD2 LEU A 518 -10.871 -7.794 3.440 1.00 0.00 C ATOM 0 H LEU A 518 -8.717 -9.772 3.109 1.00 0.00 H new ATOM 0 HA LEU A 518 -10.536 -11.277 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -11.006 -8.950 0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -11.877 -9.360 1.726 1.00 0.00 H new ATOM 0 HG LEU A 518 -9.202 -8.042 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -10.187 -5.789 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -10.195 -6.742 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -11.696 -6.542 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -10.443 -6.922 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -11.953 -7.679 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -10.635 -8.689 4.015 1.00 0.00 H new ATOM 531 N PRO A 519 -8.936 -10.820 -0.627 1.00 0.00 N ATOM 532 CA PRO A 519 -7.851 -10.809 -1.647 1.00 0.00 C ATOM 533 C PRO A 519 -7.196 -9.433 -1.769 1.00 0.00 C ATOM 534 O PRO A 519 -7.865 -8.404 -1.672 1.00 0.00 O ATOM 535 CB PRO A 519 -8.545 -11.206 -2.963 1.00 0.00 C ATOM 536 CG PRO A 519 -9.999 -11.420 -2.649 1.00 0.00 C ATOM 537 CD PRO A 519 -10.142 -11.490 -1.128 1.00 0.00 C ATOM 0 HA PRO A 519 -7.044 -11.491 -1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 519 -8.424 -10.425 -3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 519 -8.102 -12.113 -3.374 1.00 0.00 H new ATOM 0 HG2 PRO A 519 -10.601 -10.606 -3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 519 -10.358 -12.340 -3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 519 -11.048 -10.988 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 519 -10.200 -12.521 -0.779 1.00 0.00 H new ATOM 545 N ILE A 520 -5.885 -9.427 -1.990 1.00 0.00 N ATOM 546 CA ILE A 520 -5.148 -8.175 -2.130 1.00 0.00 C ATOM 547 C ILE A 520 -5.453 -7.529 -3.478 1.00 0.00 C ATOM 548 O ILE A 520 -5.314 -6.316 -3.642 1.00 0.00 O ATOM 549 CB ILE A 520 -3.646 -8.440 -2.017 1.00 0.00 C ATOM 550 CG1 ILE A 520 -3.324 -8.963 -0.616 1.00 0.00 C ATOM 551 CG2 ILE A 520 -2.875 -7.141 -2.263 1.00 0.00 C ATOM 552 CD1 ILE A 520 -1.906 -9.544 -0.598 1.00 0.00 C ATOM 0 H ILE A 520 -5.314 -10.268 -2.076 1.00 0.00 H new ATOM 0 HA ILE A 520 -5.457 -7.497 -1.334 1.00 0.00 H new ATOM 0 HB ILE A 520 -3.354 -9.182 -2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 520 -3.407 -8.156 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 520 -4.045 -9.728 -0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 520 -1.805 -7.332 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -3.102 -6.766 -3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 520 -3.168 -6.398 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 520 -1.678 -9.916 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 520 -1.839 -10.363 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 520 -1.191 -8.767 -0.868 1.00 0.00 H new ATOM 564 N GLU A 521 -5.867 -8.349 -4.438 1.00 0.00 N ATOM 565 CA GLU A 521 -6.189 -7.852 -5.771 1.00 0.00 C ATOM 566 C GLU A 521 -7.021 -6.577 -5.685 1.00 0.00 C ATOM 567 O GLU A 521 -6.763 -5.607 -6.398 1.00 0.00 O ATOM 568 CB GLU A 521 -6.964 -8.919 -6.548 1.00 0.00 C ATOM 569 CG GLU A 521 -6.966 -8.570 -8.037 1.00 0.00 C ATOM 570 CD GLU A 521 -7.953 -9.465 -8.779 1.00 0.00 C ATOM 571 OE1 GLU A 521 -9.122 -9.438 -8.432 1.00 0.00 O ATOM 572 OE2 GLU A 521 -7.524 -10.166 -9.681 1.00 0.00 O1- ATOM 0 H GLU A 521 -5.987 -9.355 -4.319 1.00 0.00 H new ATOM 0 HA GLU A 521 -5.257 -7.626 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 521 -6.509 -9.897 -6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 521 -7.987 -8.982 -6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 521 -7.237 -7.523 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 521 -5.965 -8.696 -8.450 1.00 0.00 H new ATOM 579 N THR A 522 -8.021 -6.586 -4.811 1.00 0.00 N ATOM 580 CA THR A 522 -8.888 -5.425 -4.644 1.00 0.00 C ATOM 581 C THR A 522 -8.149 -4.305 -3.915 1.00 0.00 C ATOM 582 O THR A 522 -8.058 -3.183 -4.413 1.00 0.00 O ATOM 583 CB THR A 522 -10.138 -5.814 -3.852 1.00 0.00 C ATOM 584 OG1 THR A 522 -9.757 -6.240 -2.551 1.00 0.00 O ATOM 585 CG2 THR A 522 -10.868 -6.951 -4.570 1.00 0.00 C ATOM 0 H THR A 522 -8.251 -7.378 -4.211 1.00 0.00 H new ATOM 0 HA THR A 522 -9.181 -5.070 -5.632 1.00 0.00 H new ATOM 0 HB THR A 522 -10.802 -4.953 -3.774 1.00 0.00 H new ATOM 0 HG1 THR A 522 -9.232 -7.065 -2.618 1.00 0.00 H new ATOM 0 HG21 THR A 522 -11.758 -7.227 -4.004 1.00 0.00 H new ATOM 0 HG22 THR A 522 -11.159 -6.623 -5.568 1.00 0.00 H new ATOM 0 HG23 THR A 522 -10.207 -7.814 -4.650 1.00 0.00 H new ATOM 593 N ALA A 523 -7.626 -4.617 -2.734 1.00 0.00 N ATOM 594 CA ALA A 523 -6.901 -3.627 -1.946 1.00 0.00 C ATOM 595 C ALA A 523 -5.780 -3.001 -2.769 1.00 0.00 C ATOM 596 O ALA A 523 -5.305 -1.909 -2.459 1.00 0.00 O ATOM 597 CB ALA A 523 -6.312 -4.282 -0.694 1.00 0.00 C ATOM 0 H ALA A 523 -7.690 -5.540 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 523 -7.601 -2.845 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 523 -5.772 -3.535 -0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 523 -7.117 -4.701 -0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 523 -5.627 -5.077 -0.988 1.00 0.00 H new ATOM 603 N ALA A 524 -5.359 -3.701 -3.818 1.00 0.00 N ATOM 604 CA ALA A 524 -4.291 -3.201 -4.677 1.00 0.00 C ATOM 605 C ALA A 524 -4.762 -1.987 -5.470 1.00 0.00 C ATOM 606 O ALA A 524 -4.234 -0.886 -5.310 1.00 0.00 O ATOM 607 CB ALA A 524 -3.839 -4.300 -5.642 1.00 0.00 C ATOM 0 H ALA A 524 -5.737 -4.608 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 524 -3.453 -2.904 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 524 -3.042 -3.919 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 524 -3.472 -5.155 -5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 524 -4.681 -4.610 -6.260 1.00 0.00 H new ATOM 613 N MET A 525 -5.758 -2.193 -6.325 1.00 0.00 N ATOM 614 CA MET A 525 -6.291 -1.105 -7.139 1.00 0.00 C ATOM 615 C MET A 525 -6.723 0.062 -6.258 1.00 0.00 C ATOM 616 O MET A 525 -6.555 1.225 -6.626 1.00 0.00 O ATOM 617 CB MET A 525 -7.488 -1.601 -7.954 1.00 0.00 C ATOM 618 CG MET A 525 -7.091 -2.854 -8.735 1.00 0.00 C ATOM 619 SD MET A 525 -8.439 -3.320 -9.849 1.00 0.00 S ATOM 620 CE MET A 525 -7.713 -4.864 -10.454 1.00 0.00 C ATOM 0 H MET A 525 -6.210 -3.095 -6.472 1.00 0.00 H new ATOM 0 HA MET A 525 -5.506 -0.764 -7.815 1.00 0.00 H new ATOM 0 HB2 MET A 525 -8.325 -1.823 -7.292 1.00 0.00 H new ATOM 0 HB3 MET A 525 -7.822 -0.823 -8.640 1.00 0.00 H new ATOM 0 HG2 MET A 525 -6.181 -2.667 -9.305 1.00 0.00 H new ATOM 0 HG3 MET A 525 -6.874 -3.671 -8.047 1.00 0.00 H new ATOM 0 HE1 MET A 525 -8.391 -5.329 -11.169 1.00 0.00 H new ATOM 0 HE2 MET A 525 -6.761 -4.652 -10.941 1.00 0.00 H new ATOM 0 HE3 MET A 525 -7.549 -5.542 -9.616 1.00 0.00 H new ATOM 630 N ALA A 526 -7.280 -0.255 -5.094 1.00 0.00 N ATOM 631 CA ALA A 526 -7.734 0.778 -4.169 1.00 0.00 C ATOM 632 C ALA A 526 -6.554 1.599 -3.659 1.00 0.00 C ATOM 633 O ALA A 526 -6.631 2.824 -3.570 1.00 0.00 O ATOM 634 CB ALA A 526 -8.463 0.137 -2.986 1.00 0.00 C ATOM 0 H ALA A 526 -7.427 -1.211 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 526 -8.418 1.439 -4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 526 -8.798 0.915 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 526 -9.325 -0.423 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 526 -7.786 -0.539 -2.464 1.00 0.00 H new ATOM 640 N SER A 527 -5.464 0.915 -3.327 1.00 0.00 N ATOM 641 CA SER A 527 -4.273 1.593 -2.826 1.00 0.00 C ATOM 642 C SER A 527 -3.850 2.706 -3.779 1.00 0.00 C ATOM 643 O SER A 527 -3.759 3.871 -3.387 1.00 0.00 O ATOM 644 CB SER A 527 -3.129 0.590 -2.672 1.00 0.00 C ATOM 645 OG SER A 527 -3.540 -0.460 -1.806 1.00 0.00 O ATOM 0 H SER A 527 -5.380 -0.099 -3.395 1.00 0.00 H new ATOM 0 HA SER A 527 -4.507 2.030 -1.855 1.00 0.00 H new ATOM 0 HB2 SER A 527 -2.850 0.186 -3.645 1.00 0.00 H new ATOM 0 HB3 SER A 527 -2.247 1.086 -2.268 1.00 0.00 H new ATOM 0 HG SER A 527 -3.999 -1.152 -2.326 1.00 0.00 H new ATOM 651 N LEU A 528 -3.591 2.341 -5.029 1.00 0.00 N ATOM 652 CA LEU A 528 -3.176 3.317 -6.030 1.00 0.00 C ATOM 653 C LEU A 528 -4.139 4.501 -6.056 1.00 0.00 C ATOM 654 O LEU A 528 -3.715 5.656 -6.077 1.00 0.00 O ATOM 655 CB LEU A 528 -3.134 2.660 -7.413 1.00 0.00 C ATOM 656 CG LEU A 528 -2.335 3.543 -8.383 1.00 0.00 C ATOM 657 CD1 LEU A 528 -0.841 3.226 -8.269 1.00 0.00 C ATOM 658 CD2 LEU A 528 -2.798 3.273 -9.817 1.00 0.00 C ATOM 0 H LEU A 528 -3.660 1.383 -5.372 1.00 0.00 H new ATOM 0 HA LEU A 528 -2.181 3.678 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 528 -2.676 1.673 -7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 528 -4.147 2.516 -7.788 1.00 0.00 H new ATOM 0 HG LEU A 528 -2.502 4.590 -8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 528 -0.282 3.856 -8.960 1.00 0.00 H new ATOM 0 HD12 LEU A 528 -0.505 3.418 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 528 -0.672 2.178 -8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 528 -2.232 3.899 -10.506 1.00 0.00 H new ATOM 0 HD22 LEU A 528 -2.633 2.224 -10.061 1.00 0.00 H new ATOM 0 HD23 LEU A 528 -3.860 3.504 -9.906 1.00 0.00 H new ATOM 670 N ALA A 529 -5.434 4.205 -6.056 1.00 0.00 N ATOM 671 CA ALA A 529 -6.446 5.254 -6.079 1.00 0.00 C ATOM 672 C ALA A 529 -6.213 6.248 -4.945 1.00 0.00 C ATOM 673 O ALA A 529 -6.447 7.446 -5.098 1.00 0.00 O ATOM 674 CB ALA A 529 -7.841 4.639 -5.943 1.00 0.00 C ATOM 0 H ALA A 529 -5.806 3.255 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 529 -6.374 5.781 -7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 529 -8.591 5.430 -5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 529 -8.018 3.952 -6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 529 -7.909 4.096 -5.000 1.00 0.00 H new ATOM 680 N LEU A 530 -5.751 5.738 -3.809 1.00 0.00 N ATOM 681 CA LEU A 530 -5.487 6.588 -2.651 1.00 0.00 C ATOM 682 C LEU A 530 -4.342 7.552 -2.952 1.00 0.00 C ATOM 683 O LEU A 530 -4.293 8.660 -2.416 1.00 0.00 O ATOM 684 CB LEU A 530 -5.133 5.712 -1.436 1.00 0.00 C ATOM 685 CG LEU A 530 -5.969 6.118 -0.211 1.00 0.00 C ATOM 686 CD1 LEU A 530 -5.692 7.582 0.152 1.00 0.00 C ATOM 687 CD2 LEU A 530 -7.465 5.928 -0.514 1.00 0.00 C ATOM 0 H LEU A 530 -5.552 4.748 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 530 -6.381 7.169 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -5.312 4.663 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -4.072 5.811 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 530 -5.692 5.486 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -6.289 7.861 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -4.634 7.706 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -5.956 8.222 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -8.052 6.217 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -7.746 6.550 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -7.658 4.882 -0.751 1.00 0.00 H new ATOM 699 N ALA A 531 -3.423 7.122 -3.810 1.00 0.00 N ATOM 700 CA ALA A 531 -2.280 7.954 -4.172 1.00 0.00 C ATOM 701 C ALA A 531 -2.692 9.036 -5.166 1.00 0.00 C ATOM 702 O ALA A 531 -2.290 10.193 -5.037 1.00 0.00 O ATOM 703 CB ALA A 531 -1.179 7.088 -4.787 1.00 0.00 C ATOM 0 H ALA A 531 -3.446 6.209 -4.265 1.00 0.00 H new ATOM 0 HA ALA A 531 -1.905 8.434 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 531 -0.329 7.716 -5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 531 -0.861 6.336 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 531 -1.561 6.594 -5.681 1.00 0.00 H new ATOM 709 N HIS A 532 -3.492 8.656 -6.158 1.00 0.00 N ATOM 710 CA HIS A 532 -3.947 9.607 -7.166 1.00 0.00 C ATOM 711 C HIS A 532 -4.667 10.782 -6.511 1.00 0.00 C ATOM 712 O HIS A 532 -4.595 11.913 -6.991 1.00 0.00 O ATOM 713 CB HIS A 532 -4.889 8.914 -8.151 1.00 0.00 C ATOM 714 CG HIS A 532 -5.248 9.867 -9.258 1.00 0.00 C ATOM 715 ND1 HIS A 532 -5.811 11.109 -9.009 1.00 0.00 N ATOM 716 CD2 HIS A 532 -5.129 9.775 -10.622 1.00 0.00 C ATOM 717 CE1 HIS A 532 -6.009 11.709 -10.196 1.00 0.00 C ATOM 718 NE2 HIS A 532 -5.610 10.939 -11.214 1.00 0.00 N ATOM 0 H HIS A 532 -3.836 7.704 -6.285 1.00 0.00 H new ATOM 0 HA HIS A 532 -3.075 9.984 -7.701 1.00 0.00 H new ATOM 0 HB2 HIS A 532 -4.411 8.025 -8.563 1.00 0.00 H new ATOM 0 HB3 HIS A 532 -5.791 8.582 -7.636 1.00 0.00 H new ATOM 0 HD1 HIS A 532 -6.034 11.497 -8.093 1.00 0.00 H new ATOM 0 HD2 HIS A 532 -4.724 8.928 -11.155 1.00 0.00 H new ATOM 0 HE1 HIS A 532 -6.438 12.693 -10.313 1.00 0.00 H new ATOM 726 N VAL A 533 -5.359 10.505 -5.413 1.00 0.00 N ATOM 727 CA VAL A 533 -6.091 11.545 -4.695 1.00 0.00 C ATOM 728 C VAL A 533 -5.141 12.340 -3.804 1.00 0.00 C ATOM 729 O VAL A 533 -5.140 13.570 -3.823 1.00 0.00 O ATOM 730 CB VAL A 533 -7.190 10.909 -3.837 1.00 0.00 C ATOM 731 CG1 VAL A 533 -8.038 12.006 -3.166 1.00 0.00 C ATOM 732 CG2 VAL A 533 -8.088 10.030 -4.721 1.00 0.00 C ATOM 0 H VAL A 533 -5.430 9.575 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 533 -6.544 12.220 -5.421 1.00 0.00 H new ATOM 0 HB VAL A 533 -6.728 10.295 -3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 533 -8.816 11.544 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 533 -7.400 12.622 -2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 533 -8.498 12.630 -3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 533 -8.869 9.578 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 533 -8.544 10.642 -5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 533 -7.488 9.245 -5.182 1.00 0.00 H new ATOM 742 N PHE A 534 -4.338 11.625 -3.024 1.00 0.00 N ATOM 743 CA PHE A 534 -3.387 12.266 -2.124 1.00 0.00 C ATOM 744 C PHE A 534 -2.162 12.755 -2.893 1.00 0.00 C ATOM 745 O PHE A 534 -1.235 13.317 -2.309 1.00 0.00 O ATOM 746 CB PHE A 534 -2.955 11.278 -1.034 1.00 0.00 C ATOM 747 CG PHE A 534 -3.971 11.280 0.085 1.00 0.00 C ATOM 748 CD1 PHE A 534 -5.240 10.727 -0.123 1.00 0.00 C ATOM 749 CD2 PHE A 534 -3.646 11.836 1.329 1.00 0.00 C ATOM 750 CE1 PHE A 534 -6.183 10.728 0.912 1.00 0.00 C ATOM 751 CE2 PHE A 534 -4.589 11.837 2.363 1.00 0.00 C ATOM 752 CZ PHE A 534 -5.858 11.283 2.155 1.00 0.00 C ATOM 0 H PHE A 534 -4.326 10.605 -2.997 1.00 0.00 H new ATOM 0 HA PHE A 534 -3.873 13.126 -1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 534 -2.863 10.276 -1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 534 -1.974 11.553 -0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 534 -5.492 10.299 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 534 -2.668 12.264 1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 534 -7.162 10.300 0.751 1.00 0.00 H new ATOM 0 HE2 PHE A 534 -4.338 12.265 3.322 1.00 0.00 H new ATOM 0 HZ PHE A 534 -6.586 11.284 2.953 1.00 0.00 H new ATOM 762 N VAL A 535 -2.163 12.537 -4.202 1.00 0.00 N ATOM 763 CA VAL A 535 -1.043 12.959 -5.036 1.00 0.00 C ATOM 764 C VAL A 535 -0.690 14.418 -4.762 1.00 0.00 C ATOM 765 O VAL A 535 0.345 14.912 -5.209 1.00 0.00 O ATOM 766 CB VAL A 535 -1.399 12.787 -6.514 1.00 0.00 C ATOM 767 CG1 VAL A 535 -2.522 13.756 -6.885 1.00 0.00 C ATOM 768 CG2 VAL A 535 -0.167 13.082 -7.375 1.00 0.00 C ATOM 0 H VAL A 535 -2.919 12.075 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 535 -0.181 12.337 -4.795 1.00 0.00 H new ATOM 0 HB VAL A 535 -1.729 11.763 -6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 535 -2.775 13.633 -7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 535 -3.400 13.547 -6.274 1.00 0.00 H new ATOM 0 HG13 VAL A 535 -2.192 14.780 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 535 -0.421 12.959 -8.428 1.00 0.00 H new ATOM 0 HG22 VAL A 535 0.164 14.105 -7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 535 0.634 12.391 -7.112 1.00 0.00 H new ATOM 778 N GLY A 536 -1.558 15.103 -4.021 1.00 0.00 N ATOM 779 CA GLY A 536 -1.329 16.506 -3.688 1.00 0.00 C ATOM 780 C GLY A 536 -0.643 16.637 -2.333 1.00 0.00 C ATOM 781 O GLY A 536 0.267 17.449 -2.163 1.00 0.00 O ATOM 0 H GLY A 536 -2.421 14.712 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 536 -0.714 16.971 -4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -2.279 17.040 -3.673 1.00 0.00 H new ATOM 785 N THR A 537 -1.086 15.832 -1.372 1.00 0.00 N ATOM 786 CA THR A 537 -0.511 15.860 -0.029 1.00 0.00 C ATOM 787 C THR A 537 -0.223 14.443 0.456 1.00 0.00 C ATOM 788 O THR A 537 -0.857 13.486 0.016 1.00 0.00 O ATOM 789 CB THR A 537 -1.478 16.547 0.938 1.00 0.00 C ATOM 790 OG1 THR A 537 -0.852 16.693 2.205 1.00 0.00 O ATOM 791 CG2 THR A 537 -2.744 15.700 1.085 1.00 0.00 C ATOM 0 H THR A 537 -1.838 15.154 -1.496 1.00 0.00 H new ATOM 0 HA THR A 537 0.424 16.418 -0.063 1.00 0.00 H new ATOM 0 HB THR A 537 -1.746 17.529 0.549 1.00 0.00 H new ATOM 0 HG1 THR A 537 -1.469 17.134 2.826 1.00 0.00 H new ATOM 0 HG21 THR A 537 -3.432 16.190 1.774 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.223 15.589 0.112 1.00 0.00 H new ATOM 0 HG23 THR A 537 -2.481 14.716 1.474 1.00 0.00 H new ATOM 799 N CYS A 538 0.738 14.314 1.368 1.00 0.00 N ATOM 800 CA CYS A 538 1.104 13.008 1.905 1.00 0.00 C ATOM 801 C CYS A 538 0.534 12.824 3.307 1.00 0.00 C ATOM 802 O CYS A 538 0.124 13.787 3.955 1.00 0.00 O ATOM 803 CB CYS A 538 2.626 12.872 1.950 1.00 0.00 C ATOM 804 SG CYS A 538 3.301 13.099 0.285 1.00 0.00 S ATOM 0 H CYS A 538 1.274 15.094 1.748 1.00 0.00 H new ATOM 0 HA CYS A 538 0.688 12.239 1.254 1.00 0.00 H new ATOM 0 HB2 CYS A 538 3.048 13.613 2.629 1.00 0.00 H new ATOM 0 HB3 CYS A 538 2.903 11.891 2.336 1.00 0.00 H new ATOM 0 HG CYS A 538 3.841 11.988 -0.120 1.00 0.00 H new ATOM 810 N ASN A 539 0.515 11.578 3.768 1.00 0.00 N ATOM 811 CA ASN A 539 -0.004 11.266 5.095 1.00 0.00 C ATOM 812 C ASN A 539 0.614 9.972 5.616 1.00 0.00 C ATOM 813 O ASN A 539 0.796 9.015 4.864 1.00 0.00 O ATOM 814 CB ASN A 539 -1.526 11.122 5.042 1.00 0.00 C ATOM 815 CG ASN A 539 -2.103 11.132 6.455 1.00 0.00 C ATOM 816 OD1 ASN A 539 -2.798 10.196 6.848 1.00 0.00 O ATOM 817 ND2 ASN A 539 -1.853 12.139 7.246 1.00 0.00 N ATOM 0 H ASN A 539 0.852 10.770 3.244 1.00 0.00 H new ATOM 0 HA ASN A 539 0.258 12.081 5.770 1.00 0.00 H new ATOM 0 HB2 ASN A 539 -1.956 11.937 4.459 1.00 0.00 H new ATOM 0 HB3 ASN A 539 -1.794 10.193 4.538 1.00 0.00 H new ATOM 0 HD21 ASN A 539 -2.234 12.151 8.192 1.00 0.00 H new ATOM 0 HD22 ASN A 539 -1.277 12.914 6.918 1.00 0.00 H new ATOM 824 N GLY A 540 0.934 9.951 6.905 1.00 0.00 N ATOM 825 CA GLY A 540 1.533 8.769 7.512 1.00 0.00 C ATOM 826 C GLY A 540 0.518 7.637 7.622 1.00 0.00 C ATOM 827 O GLY A 540 0.844 6.474 7.384 1.00 0.00 O ATOM 0 H GLY A 540 0.790 10.732 7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 540 2.385 8.442 6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 540 1.914 9.018 8.502 1.00 0.00 H new ATOM 831 N ASP A 541 -0.711 7.982 7.985 1.00 0.00 N ATOM 832 CA ASP A 541 -1.765 6.984 8.126 1.00 0.00 C ATOM 833 C ASP A 541 -1.771 6.032 6.934 1.00 0.00 C ATOM 834 O ASP A 541 -1.638 4.820 7.095 1.00 0.00 O ATOM 835 CB ASP A 541 -3.125 7.674 8.240 1.00 0.00 C ATOM 836 CG ASP A 541 -3.144 8.591 9.458 1.00 0.00 C ATOM 837 OD1 ASP A 541 -2.081 8.841 10.003 1.00 0.00 O ATOM 838 OD2 ASP A 541 -4.220 9.028 9.829 1.00 0.00 O1- ATOM 0 H ASP A 541 -1.002 8.939 8.186 1.00 0.00 H new ATOM 0 HA ASP A 541 -1.573 6.408 9.031 1.00 0.00 H new ATOM 0 HB2 ASP A 541 -3.326 8.251 7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 541 -3.915 6.928 8.324 1.00 0.00 H new ATOM 843 N ILE A 542 -1.929 6.588 5.736 1.00 0.00 N ATOM 844 CA ILE A 542 -1.953 5.771 4.525 1.00 0.00 C ATOM 845 C ILE A 542 -0.868 4.700 4.577 1.00 0.00 C ATOM 846 O ILE A 542 -1.005 3.636 3.974 1.00 0.00 O ATOM 847 CB ILE A 542 -1.744 6.652 3.294 1.00 0.00 C ATOM 848 CG1 ILE A 542 -2.912 7.633 3.167 1.00 0.00 C ATOM 849 CG2 ILE A 542 -1.681 5.775 2.043 1.00 0.00 C ATOM 850 CD1 ILE A 542 -2.588 8.678 2.098 1.00 0.00 C ATOM 0 H ILE A 542 -2.041 7.589 5.577 1.00 0.00 H new ATOM 0 HA ILE A 542 -2.926 5.283 4.460 1.00 0.00 H new ATOM 0 HB ILE A 542 -0.811 7.205 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 542 -3.823 7.097 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 542 -3.096 8.121 4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 542 -1.532 6.404 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 542 -0.852 5.073 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 542 -2.615 5.222 1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 542 -3.420 9.376 2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 542 -1.687 9.222 2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 542 -2.426 8.182 1.141 1.00 0.00 H new ATOM 862 N THR A 543 0.208 4.989 5.300 1.00 0.00 N ATOM 863 CA THR A 543 1.310 4.043 5.421 1.00 0.00 C ATOM 864 C THR A 543 0.998 2.986 6.476 1.00 0.00 C ATOM 865 O THR A 543 1.382 1.826 6.336 1.00 0.00 O ATOM 866 CB THR A 543 2.596 4.784 5.801 1.00 0.00 C ATOM 867 OG1 THR A 543 2.682 5.991 5.057 1.00 0.00 O ATOM 868 CG2 THR A 543 3.807 3.902 5.489 1.00 0.00 C ATOM 0 H THR A 543 0.340 5.864 5.807 1.00 0.00 H new ATOM 0 HA THR A 543 1.446 3.549 4.459 1.00 0.00 H new ATOM 0 HB THR A 543 2.582 5.014 6.866 1.00 0.00 H new ATOM 0 HG1 THR A 543 2.125 6.677 5.481 1.00 0.00 H new ATOM 0 HG21 THR A 543 4.721 4.430 5.760 1.00 0.00 H new ATOM 0 HG22 THR A 543 3.740 2.976 6.061 1.00 0.00 H new ATOM 0 HG23 THR A 543 3.824 3.670 4.424 1.00 0.00 H new ATOM 876 N THR A 544 0.300 3.395 7.531 1.00 0.00 N ATOM 877 CA THR A 544 -0.053 2.469 8.600 1.00 0.00 C ATOM 878 C THR A 544 -0.800 1.262 8.038 1.00 0.00 C ATOM 879 O THR A 544 -0.646 0.143 8.526 1.00 0.00 O ATOM 880 CB THR A 544 -0.903 3.187 9.663 1.00 0.00 C ATOM 881 OG1 THR A 544 -0.590 2.660 10.944 1.00 0.00 O ATOM 882 CG2 THR A 544 -2.397 2.989 9.385 1.00 0.00 C ATOM 0 H THR A 544 -0.029 4.351 7.668 1.00 0.00 H new ATOM 0 HA THR A 544 0.863 2.112 9.071 1.00 0.00 H new ATOM 0 HB THR A 544 -0.680 4.253 9.630 1.00 0.00 H new ATOM 0 HG1 THR A 544 -1.128 3.115 11.625 1.00 0.00 H new ATOM 0 HG21 THR A 544 -2.980 3.504 10.148 1.00 0.00 H new ATOM 0 HG22 THR A 544 -2.642 3.396 8.404 1.00 0.00 H new ATOM 0 HG23 THR A 544 -2.633 1.925 9.405 1.00 0.00 H new ATOM 890 N SER A 545 -1.606 1.497 7.006 1.00 0.00 N ATOM 891 CA SER A 545 -2.367 0.420 6.380 1.00 0.00 C ATOM 892 C SER A 545 -1.501 -0.318 5.364 1.00 0.00 C ATOM 893 O SER A 545 -1.269 -1.521 5.486 1.00 0.00 O ATOM 894 CB SER A 545 -3.606 0.990 5.688 1.00 0.00 C ATOM 895 OG SER A 545 -4.674 1.056 6.625 1.00 0.00 O ATOM 0 H SER A 545 -1.748 2.416 6.588 1.00 0.00 H new ATOM 0 HA SER A 545 -2.680 -0.282 7.153 1.00 0.00 H new ATOM 0 HB2 SER A 545 -3.392 1.982 5.291 1.00 0.00 H new ATOM 0 HB3 SER A 545 -3.886 0.362 4.842 1.00 0.00 H new ATOM 0 HG SER A 545 -5.528 1.093 6.146 1.00 0.00 H new ATOM 901 N ILE A 546 -1.025 0.415 4.364 1.00 0.00 N ATOM 902 CA ILE A 546 -0.183 -0.169 3.328 1.00 0.00 C ATOM 903 C ILE A 546 0.891 -1.057 3.955 1.00 0.00 C ATOM 904 O ILE A 546 1.138 -2.168 3.488 1.00 0.00 O ATOM 905 CB ILE A 546 0.453 0.961 2.489 1.00 0.00 C ATOM 906 CG1 ILE A 546 -0.187 0.994 1.097 1.00 0.00 C ATOM 907 CG2 ILE A 546 1.966 0.753 2.338 1.00 0.00 C ATOM 908 CD1 ILE A 546 0.213 2.285 0.381 1.00 0.00 C ATOM 0 H ILE A 546 -1.207 1.412 4.249 1.00 0.00 H new ATOM 0 HA ILE A 546 -0.791 -0.793 2.673 1.00 0.00 H new ATOM 0 HB ILE A 546 0.278 1.905 3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 546 0.135 0.129 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 546 -1.272 0.934 1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 546 2.387 1.563 1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 546 2.432 0.746 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 546 2.155 -0.198 1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 546 -0.242 2.308 -0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 546 -0.131 3.143 0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 546 1.298 2.325 0.282 1.00 0.00 H new ATOM 920 N MET A 547 1.525 -0.561 5.011 1.00 0.00 N ATOM 921 CA MET A 547 2.569 -1.324 5.684 1.00 0.00 C ATOM 922 C MET A 547 1.983 -2.568 6.347 1.00 0.00 C ATOM 923 O MET A 547 2.545 -3.659 6.245 1.00 0.00 O ATOM 924 CB MET A 547 3.265 -0.453 6.736 1.00 0.00 C ATOM 925 CG MET A 547 4.672 -0.994 7.001 1.00 0.00 C ATOM 926 SD MET A 547 5.765 -0.523 5.638 1.00 0.00 S ATOM 927 CE MET A 547 7.174 -1.559 6.107 1.00 0.00 C ATOM 0 H MET A 547 1.337 0.356 5.416 1.00 0.00 H new ATOM 0 HA MET A 547 3.300 -1.637 4.938 1.00 0.00 H new ATOM 0 HB2 MET A 547 3.321 0.579 6.389 1.00 0.00 H new ATOM 0 HB3 MET A 547 2.686 -0.448 7.660 1.00 0.00 H new ATOM 0 HG2 MET A 547 5.054 -0.598 7.942 1.00 0.00 H new ATOM 0 HG3 MET A 547 4.643 -2.079 7.100 1.00 0.00 H new ATOM 0 HE1 MET A 547 7.981 -1.423 5.387 1.00 0.00 H new ATOM 0 HE2 MET A 547 7.521 -1.273 7.100 1.00 0.00 H new ATOM 0 HE3 MET A 547 6.869 -2.605 6.117 1.00 0.00 H new ATOM 937 N ASP A 548 0.849 -2.401 7.025 1.00 0.00 N ATOM 938 CA ASP A 548 0.205 -3.526 7.694 1.00 0.00 C ATOM 939 C ASP A 548 0.102 -4.717 6.746 1.00 0.00 C ATOM 940 O ASP A 548 0.330 -5.860 7.142 1.00 0.00 O ATOM 941 CB ASP A 548 -1.195 -3.126 8.172 1.00 0.00 C ATOM 942 CG ASP A 548 -1.648 -4.050 9.298 1.00 0.00 C ATOM 943 OD1 ASP A 548 -1.729 -5.244 9.062 1.00 0.00 O ATOM 944 OD2 ASP A 548 -1.905 -3.550 10.381 1.00 0.00 O1- ATOM 0 H ASP A 548 0.364 -1.509 7.124 1.00 0.00 H new ATOM 0 HA ASP A 548 0.810 -3.808 8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 548 -1.188 -2.093 8.519 1.00 0.00 H new ATOM 0 HB3 ASP A 548 -1.900 -3.178 7.342 1.00 0.00 H new ATOM 949 N ASN A 549 -0.238 -4.438 5.492 1.00 0.00 N ATOM 950 CA ASN A 549 -0.363 -5.492 4.493 1.00 0.00 C ATOM 951 C ASN A 549 0.998 -6.118 4.208 1.00 0.00 C ATOM 952 O ASN A 549 1.158 -7.336 4.278 1.00 0.00 O ATOM 953 CB ASN A 549 -0.947 -4.919 3.200 1.00 0.00 C ATOM 954 CG ASN A 549 -2.429 -4.617 3.384 1.00 0.00 C ATOM 955 OD1 ASN A 549 -2.969 -4.788 4.478 1.00 0.00 O ATOM 956 ND2 ASN A 549 -3.126 -4.175 2.373 1.00 0.00 N ATOM 0 H ASN A 549 -0.431 -3.498 5.145 1.00 0.00 H new ATOM 0 HA ASN A 549 -1.031 -6.261 4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 549 -0.414 -4.009 2.923 1.00 0.00 H new ATOM 0 HB3 ASN A 549 -0.811 -5.629 2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 549 -4.119 -3.971 2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 549 -2.678 -4.034 1.468 1.00 0.00 H new ATOM 963 N PHE A 550 1.977 -5.275 3.889 1.00 0.00 N ATOM 964 CA PHE A 550 3.325 -5.759 3.596 1.00 0.00 C ATOM 965 C PHE A 550 3.728 -6.850 4.587 1.00 0.00 C ATOM 966 O PHE A 550 4.486 -7.758 4.248 1.00 0.00 O ATOM 967 CB PHE A 550 4.325 -4.595 3.668 1.00 0.00 C ATOM 968 CG PHE A 550 4.605 -4.072 2.278 1.00 0.00 C ATOM 969 CD1 PHE A 550 5.546 -4.714 1.465 1.00 0.00 C ATOM 970 CD2 PHE A 550 3.921 -2.946 1.802 1.00 0.00 C ATOM 971 CE1 PHE A 550 5.805 -4.230 0.177 1.00 0.00 C ATOM 972 CE2 PHE A 550 4.179 -2.462 0.515 1.00 0.00 C ATOM 973 CZ PHE A 550 5.121 -3.105 -0.298 1.00 0.00 C ATOM 0 H PHE A 550 1.865 -4.263 3.827 1.00 0.00 H new ATOM 0 HA PHE A 550 3.333 -6.180 2.590 1.00 0.00 H new ATOM 0 HB2 PHE A 550 3.923 -3.797 4.292 1.00 0.00 H new ATOM 0 HB3 PHE A 550 5.252 -4.929 4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 550 6.072 -5.583 1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 550 3.194 -2.451 2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 550 6.532 -4.725 -0.450 1.00 0.00 H new ATOM 0 HE2 PHE A 550 3.652 -1.593 0.149 1.00 0.00 H new ATOM 0 HZ PHE A 550 5.320 -2.732 -1.292 1.00 0.00 H new ATOM 983 N LEU A 551 3.218 -6.751 5.811 1.00 0.00 N ATOM 984 CA LEU A 551 3.532 -7.736 6.843 1.00 0.00 C ATOM 985 C LEU A 551 2.565 -8.915 6.766 1.00 0.00 C ATOM 986 O LEU A 551 2.967 -10.070 6.907 1.00 0.00 O ATOM 987 CB LEU A 551 3.446 -7.087 8.229 1.00 0.00 C ATOM 988 CG LEU A 551 4.786 -6.432 8.578 1.00 0.00 C ATOM 989 CD1 LEU A 551 5.137 -5.384 7.520 1.00 0.00 C ATOM 990 CD2 LEU A 551 4.681 -5.757 9.947 1.00 0.00 C ATOM 0 H LEU A 551 2.590 -6.005 6.112 1.00 0.00 H new ATOM 0 HA LEU A 551 4.546 -8.101 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 551 2.651 -6.341 8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 551 3.192 -7.838 8.977 1.00 0.00 H new ATOM 0 HG LEU A 551 5.565 -7.194 8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 551 6.091 -4.919 7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 551 5.212 -5.863 6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 551 4.359 -4.622 7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 551 5.634 -5.290 10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 551 3.901 -4.996 9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 551 4.433 -6.503 10.702 1.00 0.00 H new ATOM 1002 N GLU A 552 1.289 -8.615 6.541 1.00 0.00 N ATOM 1003 CA GLU A 552 0.274 -9.659 6.448 1.00 0.00 C ATOM 1004 C GLU A 552 0.522 -10.539 5.226 1.00 0.00 C ATOM 1005 O GLU A 552 0.636 -11.759 5.341 1.00 0.00 O ATOM 1006 CB GLU A 552 -1.117 -9.026 6.353 1.00 0.00 C ATOM 1007 CG GLU A 552 -2.187 -10.070 6.687 1.00 0.00 C ATOM 1008 CD GLU A 552 -2.241 -11.133 5.595 1.00 0.00 C ATOM 1009 OE1 GLU A 552 -2.598 -10.792 4.479 1.00 0.00 O ATOM 1010 OE2 GLU A 552 -1.923 -12.273 5.890 1.00 0.00 O1- ATOM 0 H GLU A 552 0.936 -7.666 6.421 1.00 0.00 H new ATOM 0 HA GLU A 552 0.330 -10.278 7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 552 -1.191 -8.184 7.041 1.00 0.00 H new ATOM 0 HB3 GLU A 552 -1.280 -8.633 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 552 -1.965 -10.535 7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 552 -3.159 -9.587 6.784 1.00 0.00 H new ATOM 1017 N ARG A 553 0.601 -9.912 4.056 1.00 0.00 N ATOM 1018 CA ARG A 553 0.833 -10.649 2.821 1.00 0.00 C ATOM 1019 C ARG A 553 -0.103 -11.850 2.731 1.00 0.00 C ATOM 1020 O ARG A 553 0.220 -12.937 3.210 1.00 0.00 O ATOM 1021 CB ARG A 553 2.285 -11.127 2.762 1.00 0.00 C ATOM 1022 CG ARG A 553 3.222 -9.949 3.030 1.00 0.00 C ATOM 1023 CD ARG A 553 4.650 -10.332 2.640 1.00 0.00 C ATOM 1024 NE ARG A 553 5.102 -11.468 3.432 1.00 0.00 N ATOM 1025 CZ ARG A 553 6.387 -11.800 3.487 1.00 0.00 C ATOM 1026 NH1 ARG A 553 7.268 -11.104 2.820 1.00 0.00 N1+ ATOM 1027 NH2 ARG A 553 6.768 -12.819 4.205 1.00 0.00 N ATOM 0 H ARG A 553 0.508 -8.903 3.939 1.00 0.00 H new ATOM 0 HA ARG A 553 0.636 -9.984 1.981 1.00 0.00 H new ATOM 0 HB2 ARG A 553 2.451 -11.912 3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 553 2.497 -11.559 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 553 2.900 -9.078 2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 553 3.183 -9.673 4.084 1.00 0.00 H new ATOM 0 HD2 ARG A 553 4.691 -10.580 1.579 1.00 0.00 H new ATOM 0 HD3 ARG A 553 5.317 -9.484 2.795 1.00 0.00 H new ATOM 0 HE ARG A 553 4.420 -12.018 3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 553 6.969 -10.307 2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 553 8.255 -11.357 2.861 1.00 0.00 H new ATOM 0 HH21 ARG A 553 6.079 -13.362 4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 553 7.755 -13.073 4.247 1.00 0.00 H new ATOM 1041 N THR A 554 -1.261 -11.647 2.114 1.00 0.00 N ATOM 1042 CA THR A 554 -2.234 -12.723 1.969 1.00 0.00 C ATOM 1043 C THR A 554 -1.626 -13.891 1.198 1.00 0.00 C ATOM 1044 O THR A 554 -0.603 -13.740 0.530 1.00 0.00 O ATOM 1045 CB THR A 554 -3.475 -12.212 1.231 1.00 0.00 C ATOM 1046 OG1 THR A 554 -3.880 -10.971 1.792 1.00 0.00 O ATOM 1047 CG2 THR A 554 -4.612 -13.229 1.362 1.00 0.00 C ATOM 0 H THR A 554 -1.548 -10.756 1.709 1.00 0.00 H new ATOM 0 HA THR A 554 -2.520 -13.066 2.963 1.00 0.00 H new ATOM 0 HB THR A 554 -3.237 -12.076 0.176 1.00 0.00 H new ATOM 0 HG1 THR A 554 -3.534 -10.897 2.706 1.00 0.00 H new ATOM 0 HG21 THR A 554 -5.492 -12.860 0.835 1.00 0.00 H new ATOM 0 HG22 THR A 554 -4.301 -14.180 0.929 1.00 0.00 H new ATOM 0 HG23 THR A 554 -4.853 -13.372 2.415 1.00 0.00 H new ATOM 1055 N ALA A 555 -2.262 -15.053 1.297 1.00 0.00 N ATOM 1056 CA ALA A 555 -1.775 -16.240 0.605 1.00 0.00 C ATOM 1057 C ALA A 555 -1.394 -15.907 -0.835 1.00 0.00 C ATOM 1058 O ALA A 555 -0.707 -16.682 -1.501 1.00 0.00 O ATOM 1059 CB ALA A 555 -2.857 -17.321 0.609 1.00 0.00 C ATOM 0 H ALA A 555 -3.110 -15.198 1.845 1.00 0.00 H new ATOM 0 HA ALA A 555 -0.890 -16.604 1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -2.489 -18.206 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -3.108 -17.581 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -3.746 -16.947 0.102 1.00 0.00 H new ATOM 1065 N ILE A 556 -1.848 -14.751 -1.308 1.00 0.00 N ATOM 1066 CA ILE A 556 -1.559 -14.316 -2.673 1.00 0.00 C ATOM 1067 C ILE A 556 -0.051 -14.347 -2.940 1.00 0.00 C ATOM 1068 O ILE A 556 0.397 -14.114 -4.063 1.00 0.00 O ATOM 1069 CB ILE A 556 -2.137 -12.897 -2.888 1.00 0.00 C ATOM 1070 CG1 ILE A 556 -3.169 -12.920 -4.025 1.00 0.00 C ATOM 1071 CG2 ILE A 556 -1.032 -11.890 -3.235 1.00 0.00 C ATOM 1072 CD1 ILE A 556 -4.468 -13.558 -3.528 1.00 0.00 C ATOM 0 H ILE A 556 -2.417 -14.098 -0.769 1.00 0.00 H new ATOM 0 HA ILE A 556 -2.030 -14.999 -3.380 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.611 -12.587 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -3.361 -11.906 -4.375 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -2.778 -13.482 -4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -1.471 -10.903 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -0.308 -11.849 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -0.530 -12.202 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -5.199 -13.573 -4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -4.270 -14.578 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -4.862 -12.978 -2.694 1.00 0.00 H new ATOM 1084 N GLU A 557 0.725 -14.637 -1.902 1.00 0.00 N ATOM 1085 CA GLU A 557 2.177 -14.694 -2.034 1.00 0.00 C ATOM 1086 C GLU A 557 2.596 -15.702 -3.102 1.00 0.00 C ATOM 1087 O GLU A 557 3.736 -15.681 -3.569 1.00 0.00 O ATOM 1088 CB GLU A 557 2.809 -15.076 -0.695 1.00 0.00 C ATOM 1089 CG GLU A 557 2.142 -16.345 -0.160 1.00 0.00 C ATOM 1090 CD GLU A 557 2.872 -16.832 1.087 1.00 0.00 C ATOM 1091 OE1 GLU A 557 2.504 -16.406 2.170 1.00 0.00 O ATOM 1092 OE2 GLU A 557 3.788 -17.624 0.941 1.00 0.00 O1- ATOM 0 H GLU A 557 0.376 -14.835 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 557 2.526 -13.707 -2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 557 3.879 -15.240 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 557 2.692 -14.262 0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 557 1.097 -16.145 0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 557 2.153 -17.122 -0.925 1.00 0.00 H new ATOM 1099 N LEU A 558 1.679 -16.589 -3.483 1.00 0.00 N ATOM 1100 CA LEU A 558 1.990 -17.596 -4.494 1.00 0.00 C ATOM 1101 C LEU A 558 2.120 -16.957 -5.874 1.00 0.00 C ATOM 1102 O LEU A 558 2.353 -17.646 -6.868 1.00 0.00 O ATOM 1103 CB LEU A 558 0.910 -18.692 -4.506 1.00 0.00 C ATOM 1104 CG LEU A 558 -0.297 -18.261 -5.350 1.00 0.00 C ATOM 1105 CD1 LEU A 558 -1.374 -19.344 -5.280 1.00 0.00 C ATOM 1106 CD2 LEU A 558 -0.867 -16.951 -4.803 1.00 0.00 C ATOM 0 H LEU A 558 0.729 -16.631 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 558 2.947 -18.053 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 558 1.328 -19.616 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 558 0.589 -18.903 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 558 0.018 -18.117 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -2.233 -19.042 -5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -0.974 -20.281 -5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -1.684 -19.483 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -1.724 -16.648 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -1.182 -17.095 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -0.102 -16.176 -4.845 1.00 0.00 H new ATOM 1118 N LYS A 559 1.971 -15.635 -5.926 1.00 0.00 N ATOM 1119 CA LYS A 559 2.075 -14.905 -7.188 1.00 0.00 C ATOM 1120 C LYS A 559 3.300 -13.993 -7.171 1.00 0.00 C ATOM 1121 O LYS A 559 3.902 -13.769 -6.120 1.00 0.00 O ATOM 1122 CB LYS A 559 0.805 -14.069 -7.410 1.00 0.00 C ATOM 1123 CG LYS A 559 0.532 -13.925 -8.913 1.00 0.00 C ATOM 1124 CD LYS A 559 -0.688 -13.019 -9.137 1.00 0.00 C ATOM 1125 CE LYS A 559 -1.972 -13.851 -9.072 1.00 0.00 C ATOM 1126 NZ LYS A 559 -2.041 -14.749 -10.259 1.00 0.00 N1+ ATOM 0 H LYS A 559 1.779 -15.050 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 559 2.182 -15.621 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 559 -0.045 -14.545 -6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 559 0.923 -13.085 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 559 1.405 -13.504 -9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 559 0.354 -14.905 -9.355 1.00 0.00 H new ATOM 0 HD2 LYS A 559 -0.714 -12.235 -8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 559 -0.613 -12.525 -10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 559 -1.991 -14.440 -8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 559 -2.842 -13.195 -9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 -3.036 -14.946 -10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 -1.584 -14.287 -11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 -1.551 -15.642 -10.048 1.00 0.00 H new ATOM 1140 N THR A 560 3.666 -13.470 -8.337 1.00 0.00 N ATOM 1141 CA THR A 560 4.823 -12.587 -8.438 1.00 0.00 C ATOM 1142 C THR A 560 4.684 -11.652 -9.636 1.00 0.00 C ATOM 1143 O THR A 560 5.129 -11.971 -10.738 1.00 0.00 O ATOM 1144 CB THR A 560 6.101 -13.415 -8.582 1.00 0.00 C ATOM 1145 OG1 THR A 560 6.094 -14.464 -7.623 1.00 0.00 O ATOM 1146 CG2 THR A 560 7.320 -12.520 -8.354 1.00 0.00 C ATOM 0 H THR A 560 3.183 -13.640 -9.219 1.00 0.00 H new ATOM 0 HA THR A 560 4.878 -11.988 -7.529 1.00 0.00 H new ATOM 0 HB THR A 560 6.148 -13.839 -9.585 1.00 0.00 H new ATOM 0 HG1 THR A 560 6.912 -14.997 -7.715 1.00 0.00 H new ATOM 0 HG21 THR A 560 8.230 -13.111 -8.457 1.00 0.00 H new ATOM 0 HG22 THR A 560 7.324 -11.716 -9.090 1.00 0.00 H new ATOM 0 HG23 THR A 560 7.276 -12.093 -7.352 1.00 0.00 H new ATOM 1154 N ASP A 561 4.065 -10.496 -9.411 1.00 0.00 N ATOM 1155 CA ASP A 561 3.877 -9.524 -10.484 1.00 0.00 C ATOM 1156 C ASP A 561 3.288 -8.225 -9.939 1.00 0.00 C ATOM 1157 O ASP A 561 3.721 -7.135 -10.309 1.00 0.00 O ATOM 1158 CB ASP A 561 2.943 -10.097 -11.551 1.00 0.00 C ATOM 1159 CG ASP A 561 1.550 -10.300 -10.967 1.00 0.00 C ATOM 1160 OD1 ASP A 561 1.354 -11.291 -10.283 1.00 0.00 O ATOM 1161 OD2 ASP A 561 0.698 -9.461 -11.211 1.00 0.00 O1- ATOM 0 H ASP A 561 3.689 -10.212 -8.506 1.00 0.00 H new ATOM 0 HA ASP A 561 4.850 -9.311 -10.926 1.00 0.00 H new ATOM 0 HB2 ASP A 561 2.894 -9.421 -12.405 1.00 0.00 H new ATOM 0 HB3 ASP A 561 3.335 -11.046 -11.918 1.00 0.00 H new ATOM 1166 N TRP A 562 2.293 -8.349 -9.064 1.00 0.00 N ATOM 1167 CA TRP A 562 1.650 -7.174 -8.484 1.00 0.00 C ATOM 1168 C TRP A 562 2.652 -6.358 -7.670 1.00 0.00 C ATOM 1169 O TRP A 562 2.498 -5.146 -7.514 1.00 0.00 O ATOM 1170 CB TRP A 562 0.468 -7.607 -7.600 1.00 0.00 C ATOM 1171 CG TRP A 562 0.887 -7.664 -6.162 1.00 0.00 C ATOM 1172 CD1 TRP A 562 0.354 -6.913 -5.170 1.00 0.00 C ATOM 1173 CD2 TRP A 562 1.909 -8.497 -5.541 1.00 0.00 C ATOM 1174 NE1 TRP A 562 0.984 -7.232 -3.981 1.00 0.00 N ATOM 1175 CE2 TRP A 562 1.949 -8.202 -4.157 1.00 0.00 C ATOM 1176 CE3 TRP A 562 2.796 -9.469 -6.039 1.00 0.00 C ATOM 1177 CZ2 TRP A 562 2.838 -8.850 -3.298 1.00 0.00 C ATOM 1178 CZ3 TRP A 562 3.692 -10.122 -5.176 1.00 0.00 C ATOM 1179 CH2 TRP A 562 3.712 -9.812 -3.808 1.00 0.00 C ATOM 0 H TRP A 562 1.918 -9.242 -8.744 1.00 0.00 H new ATOM 0 HA TRP A 562 1.276 -6.546 -9.292 1.00 0.00 H new ATOM 0 HB2 TRP A 562 -0.359 -6.906 -7.717 1.00 0.00 H new ATOM 0 HB3 TRP A 562 0.105 -8.584 -7.919 1.00 0.00 H new ATOM 0 HD1 TRP A 562 -0.434 -6.184 -5.288 1.00 0.00 H new ATOM 0 HE1 TRP A 562 0.762 -6.802 -3.083 1.00 0.00 H new ATOM 0 HE3 TRP A 562 2.788 -9.715 -7.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 562 2.850 -8.609 -2.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 562 4.369 -10.867 -5.568 1.00 0.00 H new ATOM 0 HH2 TRP A 562 4.403 -10.317 -3.150 1.00 0.00 H new ATOM 1190 N VAL A 563 3.675 -7.030 -7.154 1.00 0.00 N ATOM 1191 CA VAL A 563 4.695 -6.358 -6.358 1.00 0.00 C ATOM 1192 C VAL A 563 5.197 -5.107 -7.072 1.00 0.00 C ATOM 1193 O VAL A 563 5.735 -4.196 -6.444 1.00 0.00 O ATOM 1194 CB VAL A 563 5.867 -7.307 -6.102 1.00 0.00 C ATOM 1195 CG1 VAL A 563 6.457 -7.763 -7.437 1.00 0.00 C ATOM 1196 CG2 VAL A 563 6.943 -6.579 -5.292 1.00 0.00 C ATOM 0 H VAL A 563 3.820 -8.033 -7.271 1.00 0.00 H new ATOM 0 HA VAL A 563 4.251 -6.065 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 563 5.516 -8.176 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 563 7.292 -8.439 -7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 563 5.691 -8.280 -8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 563 6.809 -6.895 -7.995 1.00 0.00 H new ATOM 0 HG21 VAL A 563 7.779 -7.254 -5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 563 7.293 -5.711 -5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 563 6.524 -6.254 -4.340 1.00 0.00 H new ATOM 1206 N ARG A 564 5.017 -5.070 -8.388 1.00 0.00 N ATOM 1207 CA ARG A 564 5.458 -3.925 -9.178 1.00 0.00 C ATOM 1208 C ARG A 564 4.593 -2.704 -8.882 1.00 0.00 C ATOM 1209 O ARG A 564 5.104 -1.597 -8.707 1.00 0.00 O ATOM 1210 CB ARG A 564 5.380 -4.259 -10.669 1.00 0.00 C ATOM 1211 CG ARG A 564 5.975 -3.107 -11.484 1.00 0.00 C ATOM 1212 CD ARG A 564 6.251 -3.580 -12.911 1.00 0.00 C ATOM 1213 NE ARG A 564 7.252 -4.643 -12.908 1.00 0.00 N ATOM 1214 CZ ARG A 564 7.709 -5.161 -14.043 1.00 0.00 C ATOM 1215 NH1 ARG A 564 7.454 -4.571 -15.179 1.00 0.00 N1+ ATOM 1216 NH2 ARG A 564 8.413 -6.261 -14.021 1.00 0.00 N ATOM 0 H ARG A 564 4.572 -5.813 -8.927 1.00 0.00 H new ATOM 0 HA ARG A 564 6.490 -3.698 -8.910 1.00 0.00 H new ATOM 0 HB2 ARG A 564 5.923 -5.182 -10.874 1.00 0.00 H new ATOM 0 HB3 ARG A 564 4.343 -4.427 -10.961 1.00 0.00 H new ATOM 0 HG2 ARG A 564 5.286 -2.263 -11.497 1.00 0.00 H new ATOM 0 HG3 ARG A 564 6.898 -2.758 -11.020 1.00 0.00 H new ATOM 0 HD2 ARG A 564 5.329 -3.941 -13.366 1.00 0.00 H new ATOM 0 HD3 ARG A 564 6.600 -2.744 -13.517 1.00 0.00 H new ATOM 0 HE ARG A 564 7.607 -4.994 -12.019 1.00 0.00 H new ATOM 0 HH11 ARG A 564 6.904 -3.712 -15.195 1.00 0.00 H new ATOM 0 HH12 ARG A 564 7.805 -4.969 -16.050 1.00 0.00 H new ATOM 0 HH21 ARG A 564 8.612 -6.722 -13.133 1.00 0.00 H new ATOM 0 HH22 ARG A 564 8.764 -6.659 -14.892 1.00 0.00 H new ATOM 1230 N PHE A 565 3.282 -2.910 -8.827 1.00 0.00 N ATOM 1231 CA PHE A 565 2.357 -1.817 -8.552 1.00 0.00 C ATOM 1232 C PHE A 565 2.412 -1.428 -7.076 1.00 0.00 C ATOM 1233 O PHE A 565 2.718 -0.284 -6.738 1.00 0.00 O ATOM 1234 CB PHE A 565 0.927 -2.234 -8.923 1.00 0.00 C ATOM 1235 CG PHE A 565 0.653 -1.889 -10.369 1.00 0.00 C ATOM 1236 CD1 PHE A 565 1.228 -2.652 -11.393 1.00 0.00 C ATOM 1237 CD2 PHE A 565 -0.177 -0.806 -10.685 1.00 0.00 C ATOM 1238 CE1 PHE A 565 0.972 -2.332 -12.732 1.00 0.00 C ATOM 1239 CE2 PHE A 565 -0.433 -0.487 -12.024 1.00 0.00 C ATOM 1240 CZ PHE A 565 0.142 -1.249 -13.048 1.00 0.00 C ATOM 0 H PHE A 565 2.838 -3.817 -8.968 1.00 0.00 H new ATOM 0 HA PHE A 565 2.650 -0.957 -9.154 1.00 0.00 H new ATOM 0 HB2 PHE A 565 0.798 -3.305 -8.764 1.00 0.00 H new ATOM 0 HB3 PHE A 565 0.211 -1.727 -8.276 1.00 0.00 H new ATOM 0 HD1 PHE A 565 1.869 -3.487 -11.150 1.00 0.00 H new ATOM 0 HD2 PHE A 565 -0.620 -0.217 -9.896 1.00 0.00 H new ATOM 0 HE1 PHE A 565 1.415 -2.921 -13.522 1.00 0.00 H new ATOM 0 HE2 PHE A 565 -1.074 0.347 -12.267 1.00 0.00 H new ATOM 0 HZ PHE A 565 -0.054 -1.002 -14.081 1.00 0.00 H new ATOM 1250 N LEU A 566 2.113 -2.385 -6.204 1.00 0.00 N ATOM 1251 CA LEU A 566 2.130 -2.128 -4.769 1.00 0.00 C ATOM 1252 C LEU A 566 3.412 -1.403 -4.368 1.00 0.00 C ATOM 1253 O LEU A 566 3.375 -0.432 -3.614 1.00 0.00 O ATOM 1254 CB LEU A 566 2.022 -3.448 -3.999 1.00 0.00 C ATOM 1255 CG LEU A 566 1.687 -3.166 -2.527 1.00 0.00 C ATOM 1256 CD1 LEU A 566 0.171 -3.028 -2.355 1.00 0.00 C ATOM 1257 CD2 LEU A 566 2.188 -4.323 -1.658 1.00 0.00 C ATOM 0 H LEU A 566 1.858 -3.338 -6.463 1.00 0.00 H new ATOM 0 HA LEU A 566 1.278 -1.495 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 566 1.250 -4.077 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 566 2.960 -3.998 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 566 2.172 -2.239 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -0.060 -2.828 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -0.192 -2.205 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -0.316 -3.953 -2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 566 1.950 -4.123 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.703 -5.248 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 566 3.267 -4.423 -1.772 1.00 0.00 H new ATOM 1269 N ALA A 567 4.543 -1.881 -4.876 1.00 0.00 N ATOM 1270 CA ALA A 567 5.827 -1.266 -4.561 1.00 0.00 C ATOM 1271 C ALA A 567 5.886 0.156 -5.107 1.00 0.00 C ATOM 1272 O ALA A 567 6.282 1.086 -4.403 1.00 0.00 O ATOM 1273 CB ALA A 567 6.966 -2.093 -5.159 1.00 0.00 C ATOM 0 H ALA A 567 4.597 -2.685 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 567 5.936 -1.233 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 567 7.921 -1.625 -4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 567 6.941 -3.101 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 567 6.850 -2.143 -6.242 1.00 0.00 H new ATOM 1279 N LEU A 568 5.488 0.320 -6.365 1.00 0.00 N ATOM 1280 CA LEU A 568 5.498 1.637 -6.991 1.00 0.00 C ATOM 1281 C LEU A 568 4.839 2.661 -6.071 1.00 0.00 C ATOM 1282 O LEU A 568 5.454 3.659 -5.694 1.00 0.00 O ATOM 1283 CB LEU A 568 4.751 1.585 -8.336 1.00 0.00 C ATOM 1284 CG LEU A 568 5.746 1.687 -9.500 1.00 0.00 C ATOM 1285 CD1 LEU A 568 5.087 1.171 -10.781 1.00 0.00 C ATOM 1286 CD2 LEU A 568 6.157 3.149 -9.698 1.00 0.00 C ATOM 0 H LEU A 568 5.158 -0.435 -6.966 1.00 0.00 H new ATOM 0 HA LEU A 568 6.532 1.935 -7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 568 4.187 0.655 -8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 568 4.030 2.401 -8.392 1.00 0.00 H new ATOM 0 HG LEU A 568 6.628 1.088 -9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 568 5.793 1.243 -11.608 1.00 0.00 H new ATOM 0 HD12 LEU A 568 4.793 0.130 -10.645 1.00 0.00 H new ATOM 0 HD13 LEU A 568 4.205 1.771 -11.004 1.00 0.00 H new ATOM 0 HD21 LEU A 568 6.864 3.220 -10.525 1.00 0.00 H new ATOM 0 HD22 LEU A 568 5.274 3.748 -9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 568 6.626 3.522 -8.787 1.00 0.00 H new ATOM 1298 N ALA A 569 3.586 2.403 -5.711 1.00 0.00 N ATOM 1299 CA ALA A 569 2.855 3.308 -4.833 1.00 0.00 C ATOM 1300 C ALA A 569 3.704 3.671 -3.619 1.00 0.00 C ATOM 1301 O ALA A 569 3.785 4.838 -3.234 1.00 0.00 O ATOM 1302 CB ALA A 569 1.553 2.649 -4.371 1.00 0.00 C ATOM 0 H ALA A 569 3.060 1.582 -6.011 1.00 0.00 H new ATOM 0 HA ALA A 569 2.623 4.218 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 569 1.012 3.332 -3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 569 0.936 2.414 -5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 569 1.782 1.731 -3.830 1.00 0.00 H new ATOM 1308 N LEU A 570 4.339 2.667 -3.023 1.00 0.00 N ATOM 1309 CA LEU A 570 5.183 2.894 -1.855 1.00 0.00 C ATOM 1310 C LEU A 570 6.352 3.809 -2.212 1.00 0.00 C ATOM 1311 O LEU A 570 6.999 4.379 -1.333 1.00 0.00 O ATOM 1312 CB LEU A 570 5.713 1.557 -1.324 1.00 0.00 C ATOM 1313 CG LEU A 570 6.189 1.718 0.128 1.00 0.00 C ATOM 1314 CD1 LEU A 570 4.995 1.631 1.084 1.00 0.00 C ATOM 1315 CD2 LEU A 570 7.183 0.602 0.466 1.00 0.00 C ATOM 0 H LEU A 570 4.286 1.695 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 570 4.584 3.375 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 570 4.931 0.800 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 570 6.536 1.209 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 570 6.670 2.690 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 570 5.342 1.746 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 570 4.283 2.423 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 570 4.509 0.662 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 570 7.521 0.716 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 570 6.697 -0.366 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 570 8.039 0.662 -0.206 1.00 0.00 H new ATOM 1327 N GLY A 571 6.615 3.945 -3.508 1.00 0.00 N ATOM 1328 CA GLY A 571 7.706 4.794 -3.974 1.00 0.00 C ATOM 1329 C GLY A 571 7.258 6.249 -4.076 1.00 0.00 C ATOM 1330 O GLY A 571 7.845 7.134 -3.454 1.00 0.00 O ATOM 0 H GLY A 571 6.091 3.481 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 571 8.550 4.716 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 571 8.052 4.447 -4.948 1.00 0.00 H new ATOM 1334 N ILE A 572 6.215 6.487 -4.865 1.00 0.00 N ATOM 1335 CA ILE A 572 5.696 7.839 -5.042 1.00 0.00 C ATOM 1336 C ILE A 572 5.153 8.377 -3.721 1.00 0.00 C ATOM 1337 O ILE A 572 5.300 9.560 -3.415 1.00 0.00 O ATOM 1338 CB ILE A 572 4.584 7.839 -6.099 1.00 0.00 C ATOM 1339 CG1 ILE A 572 5.203 7.668 -7.492 1.00 0.00 C ATOM 1340 CG2 ILE A 572 3.821 9.165 -6.047 1.00 0.00 C ATOM 1341 CD1 ILE A 572 5.893 6.305 -7.590 1.00 0.00 C ATOM 0 H ILE A 572 5.716 5.768 -5.388 1.00 0.00 H new ATOM 0 HA ILE A 572 6.509 8.483 -5.376 1.00 0.00 H new ATOM 0 HB ILE A 572 3.898 7.017 -5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 572 4.430 7.750 -8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 572 5.923 8.465 -7.680 1.00 0.00 H new ATOM 0 HG21 ILE A 572 3.032 9.161 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 572 3.379 9.292 -5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 572 4.508 9.988 -6.246 1.00 0.00 H new ATOM 0 HD11 ILE A 572 6.331 6.189 -8.582 1.00 0.00 H new ATOM 0 HD12 ILE A 572 6.678 6.240 -6.837 1.00 0.00 H new ATOM 0 HD13 ILE A 572 5.162 5.514 -7.422 1.00 0.00 H new ATOM 1353 N LEU A 573 4.523 7.502 -2.944 1.00 0.00 N ATOM 1354 CA LEU A 573 3.960 7.900 -1.658 1.00 0.00 C ATOM 1355 C LEU A 573 4.943 8.782 -0.892 1.00 0.00 C ATOM 1356 O LEU A 573 4.604 9.892 -0.482 1.00 0.00 O ATOM 1357 CB LEU A 573 3.623 6.655 -0.831 1.00 0.00 C ATOM 1358 CG LEU A 573 2.941 7.063 0.481 1.00 0.00 C ATOM 1359 CD1 LEU A 573 1.598 7.743 0.185 1.00 0.00 C ATOM 1360 CD2 LEU A 573 2.704 5.812 1.332 1.00 0.00 C ATOM 0 H LEU A 573 4.390 6.519 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 573 3.049 8.471 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 573 2.968 5.996 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 573 4.532 6.093 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 573 3.581 7.762 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 573 1.121 8.029 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 573 1.766 8.632 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 573 0.951 7.051 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 573 2.219 6.094 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 573 2.065 5.117 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 573 3.659 5.333 1.549 1.00 0.00 H new ATOM 1372 N TYR A 574 6.162 8.284 -0.706 1.00 0.00 N ATOM 1373 CA TYR A 574 7.187 9.038 0.010 1.00 0.00 C ATOM 1374 C TYR A 574 7.959 9.934 -0.957 1.00 0.00 C ATOM 1375 O TYR A 574 8.615 10.889 -0.541 1.00 0.00 O ATOM 1376 CB TYR A 574 8.156 8.077 0.708 1.00 0.00 C ATOM 1377 CG TYR A 574 7.587 7.662 2.046 1.00 0.00 C ATOM 1378 CD1 TYR A 574 6.335 7.041 2.109 1.00 0.00 C ATOM 1379 CD2 TYR A 574 8.310 7.900 3.223 1.00 0.00 C ATOM 1380 CE1 TYR A 574 5.805 6.655 3.348 1.00 0.00 C ATOM 1381 CE2 TYR A 574 7.780 7.515 4.460 1.00 0.00 C ATOM 1382 CZ TYR A 574 6.527 6.893 4.522 1.00 0.00 C ATOM 1383 OH TYR A 574 6.005 6.514 5.742 1.00 0.00 O ATOM 0 H TYR A 574 6.463 7.368 -1.038 1.00 0.00 H new ATOM 0 HA TYR A 574 6.699 9.662 0.759 1.00 0.00 H new ATOM 0 HB2 TYR A 574 8.324 7.198 0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 574 9.124 8.559 0.847 1.00 0.00 H new ATOM 0 HD1 TYR A 574 5.777 6.859 1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 574 9.276 8.380 3.175 1.00 0.00 H new ATOM 0 HE1 TYR A 574 4.839 6.174 3.396 1.00 0.00 H new ATOM 0 HE2 TYR A 574 8.338 7.698 5.367 1.00 0.00 H new ATOM 0 HH TYR A 574 6.634 6.751 6.455 1.00 0.00 H new ATOM 1393 N MET A 575 7.876 9.616 -2.244 1.00 0.00 N ATOM 1394 CA MET A 575 8.572 10.397 -3.261 1.00 0.00 C ATOM 1395 C MET A 575 10.077 10.377 -3.017 1.00 0.00 C ATOM 1396 O MET A 575 10.824 9.715 -3.738 1.00 0.00 O ATOM 1397 CB MET A 575 8.071 11.843 -3.245 1.00 0.00 C ATOM 1398 CG MET A 575 8.506 12.548 -4.531 1.00 0.00 C ATOM 1399 SD MET A 575 8.201 14.326 -4.377 1.00 0.00 S ATOM 1400 CE MET A 575 9.459 14.874 -5.557 1.00 0.00 C ATOM 0 H MET A 575 7.338 8.829 -2.607 1.00 0.00 H new ATOM 0 HA MET A 575 8.367 9.952 -4.235 1.00 0.00 H new ATOM 0 HB2 MET A 575 6.985 11.862 -3.157 1.00 0.00 H new ATOM 0 HB3 MET A 575 8.470 12.368 -2.377 1.00 0.00 H new ATOM 0 HG2 MET A 575 9.564 12.365 -4.719 1.00 0.00 H new ATOM 0 HG3 MET A 575 7.957 12.146 -5.382 1.00 0.00 H new ATOM 0 HE1 MET A 575 9.448 15.962 -5.622 1.00 0.00 H new ATOM 0 HE2 MET A 575 10.441 14.541 -5.222 1.00 0.00 H new ATOM 0 HE3 MET A 575 9.247 14.450 -6.538 1.00 0.00 H new ATOM 1410 N GLY A 576 10.517 11.104 -1.995 1.00 0.00 N ATOM 1411 CA GLY A 576 11.935 11.159 -1.664 1.00 0.00 C ATOM 1412 C GLY A 576 12.230 12.324 -0.725 1.00 0.00 C ATOM 1413 O GLY A 576 12.887 13.292 -1.107 1.00 0.00 O ATOM 0 H GLY A 576 9.916 11.659 -1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 576 12.240 10.223 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 576 12.522 11.265 -2.577 1.00 0.00 H new ATOM 1417 N GLN A 577 11.741 12.224 0.507 1.00 0.00 N ATOM 1418 CA GLN A 577 11.959 13.275 1.493 1.00 0.00 C ATOM 1419 C GLN A 577 13.397 13.239 2.002 1.00 0.00 C ATOM 1420 O GLN A 577 14.295 13.823 1.395 1.00 0.00 O ATOM 1421 CB GLN A 577 10.994 13.102 2.667 1.00 0.00 C ATOM 1422 CG GLN A 577 9.583 13.498 2.229 1.00 0.00 C ATOM 1423 CD GLN A 577 8.570 13.081 3.292 1.00 0.00 C ATOM 1424 OE1 GLN A 577 8.115 13.914 4.077 1.00 0.00 O ATOM 1425 NE2 GLN A 577 8.189 11.836 3.362 1.00 0.00 N ATOM 0 H GLN A 577 11.195 11.431 0.844 1.00 0.00 H new ATOM 0 HA GLN A 577 11.777 14.238 1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 577 11.003 12.067 3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 577 11.312 13.719 3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 577 9.532 14.575 2.069 1.00 0.00 H new ATOM 0 HG3 GLN A 577 9.342 13.023 1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 577 8.568 11.149 2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 577 7.512 11.549 4.069 1.00 0.00 H new ATOM 1434 N GLY A 578 13.608 12.550 3.118 1.00 0.00 N ATOM 1435 CA GLY A 578 14.943 12.446 3.696 1.00 0.00 C ATOM 1436 C GLY A 578 15.006 11.332 4.733 1.00 0.00 C ATOM 1437 O GLY A 578 14.655 10.185 4.450 1.00 0.00 O ATOM 0 H GLY A 578 12.879 12.059 3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 578 15.670 12.254 2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 578 15.217 13.394 4.159 1.00 0.00 H new ATOM 1441 N GLU A 579 15.457 11.674 5.935 1.00 0.00 N ATOM 1442 CA GLU A 579 15.566 10.694 7.010 1.00 0.00 C ATOM 1443 C GLU A 579 14.301 9.846 7.096 1.00 0.00 C ATOM 1444 O GLU A 579 14.319 8.742 7.640 1.00 0.00 O ATOM 1445 CB GLU A 579 15.799 11.407 8.343 1.00 0.00 C ATOM 1446 CG GLU A 579 17.002 12.343 8.217 1.00 0.00 C ATOM 1447 CD GLU A 579 17.466 12.785 9.600 1.00 0.00 C ATOM 1448 OE1 GLU A 579 17.490 11.951 10.490 1.00 0.00 O ATOM 1449 OE2 GLU A 579 17.791 13.952 9.750 1.00 0.00 O1- ATOM 0 H GLU A 579 15.752 12.617 6.189 1.00 0.00 H new ATOM 0 HA GLU A 579 16.411 10.040 6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 579 14.912 11.974 8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 579 15.974 10.676 9.133 1.00 0.00 H new ATOM 0 HG2 GLU A 579 17.815 11.836 7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 579 16.734 13.214 7.619 1.00 0.00 H new ATOM 1456 N GLN A 580 13.204 10.369 6.556 1.00 0.00 N ATOM 1457 CA GLN A 580 11.938 9.648 6.580 1.00 0.00 C ATOM 1458 C GLN A 580 12.093 8.274 5.939 1.00 0.00 C ATOM 1459 O GLN A 580 11.691 7.260 6.512 1.00 0.00 O ATOM 1460 CB GLN A 580 10.867 10.443 5.830 1.00 0.00 C ATOM 1461 CG GLN A 580 10.633 11.777 6.539 1.00 0.00 C ATOM 1462 CD GLN A 580 9.873 11.549 7.841 1.00 0.00 C ATOM 1463 OE1 GLN A 580 10.483 11.423 8.903 1.00 0.00 O ATOM 1464 NE2 GLN A 580 8.569 11.485 7.823 1.00 0.00 N ATOM 0 H GLN A 580 13.167 11.281 6.101 1.00 0.00 H new ATOM 0 HA GLN A 580 11.635 9.522 7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 580 11.181 10.616 4.801 1.00 0.00 H new ATOM 0 HB3 GLN A 580 9.939 9.873 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 580 11.588 12.261 6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 580 10.069 12.448 5.892 1.00 0.00 H new ATOM 0 HE21 GLN A 580 8.065 11.590 6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 580 8.054 11.330 8.690 1.00 0.00 H new ATOM 1473 N VAL A 581 12.679 8.246 4.746 1.00 0.00 N ATOM 1474 CA VAL A 581 12.880 6.989 4.036 1.00 0.00 C ATOM 1475 C VAL A 581 13.712 6.026 4.877 1.00 0.00 C ATOM 1476 O VAL A 581 13.309 4.888 5.115 1.00 0.00 O ATOM 1477 CB VAL A 581 13.587 7.247 2.705 1.00 0.00 C ATOM 1478 CG1 VAL A 581 13.859 5.914 2.006 1.00 0.00 C ATOM 1479 CG2 VAL A 581 12.696 8.115 1.815 1.00 0.00 C ATOM 0 H VAL A 581 13.020 9.072 4.255 1.00 0.00 H new ATOM 0 HA VAL A 581 11.904 6.541 3.848 1.00 0.00 H new ATOM 0 HB VAL A 581 14.530 7.761 2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 581 14.363 6.097 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 581 14.493 5.294 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 581 12.915 5.400 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 581 13.199 8.299 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 581 11.753 7.600 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 581 12.500 9.065 2.312 1.00 0.00 H new ATOM 1489 N ASP A 582 14.874 6.490 5.323 1.00 0.00 N ATOM 1490 CA ASP A 582 15.757 5.661 6.137 1.00 0.00 C ATOM 1491 C ASP A 582 14.958 4.901 7.191 1.00 0.00 C ATOM 1492 O ASP A 582 15.200 3.719 7.435 1.00 0.00 O ATOM 1493 CB ASP A 582 16.808 6.535 6.823 1.00 0.00 C ATOM 1494 CG ASP A 582 17.782 7.088 5.789 1.00 0.00 C ATOM 1495 OD1 ASP A 582 17.415 7.141 4.627 1.00 0.00 O ATOM 1496 OD2 ASP A 582 18.881 7.452 6.174 1.00 0.00 O1- ATOM 0 H ASP A 582 15.225 7.429 5.137 1.00 0.00 H new ATOM 0 HA ASP A 582 16.252 4.942 5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 582 16.322 7.355 7.352 1.00 0.00 H new ATOM 0 HB3 ASP A 582 17.348 5.951 7.568 1.00 0.00 H new ATOM 1501 N ASP A 583 14.004 5.588 7.810 1.00 0.00 N ATOM 1502 CA ASP A 583 13.173 4.969 8.835 1.00 0.00 C ATOM 1503 C ASP A 583 12.389 3.797 8.253 1.00 0.00 C ATOM 1504 O ASP A 583 12.330 2.720 8.847 1.00 0.00 O ATOM 1505 CB ASP A 583 12.200 5.999 9.410 1.00 0.00 C ATOM 1506 CG ASP A 583 11.511 5.435 10.648 1.00 0.00 C ATOM 1507 OD1 ASP A 583 12.208 4.917 11.505 1.00 0.00 O ATOM 1508 OD2 ASP A 583 10.297 5.530 10.721 1.00 0.00 O1- ATOM 0 H ASP A 583 13.788 6.567 7.621 1.00 0.00 H new ATOM 0 HA ASP A 583 13.823 4.600 9.629 1.00 0.00 H new ATOM 0 HB2 ASP A 583 12.736 6.913 9.667 1.00 0.00 H new ATOM 0 HB3 ASP A 583 11.456 6.266 8.660 1.00 0.00 H new ATOM 1513 N VAL A 584 11.790 4.014 7.087 1.00 0.00 N ATOM 1514 CA VAL A 584 11.013 2.968 6.434 1.00 0.00 C ATOM 1515 C VAL A 584 11.870 1.727 6.207 1.00 0.00 C ATOM 1516 O VAL A 584 11.579 0.654 6.736 1.00 0.00 O ATOM 1517 CB VAL A 584 10.478 3.473 5.093 1.00 0.00 C ATOM 1518 CG1 VAL A 584 9.612 2.389 4.447 1.00 0.00 C ATOM 1519 CG2 VAL A 584 9.633 4.728 5.320 1.00 0.00 C ATOM 0 H VAL A 584 11.827 4.897 6.578 1.00 0.00 H new ATOM 0 HA VAL A 584 10.177 2.705 7.082 1.00 0.00 H new ATOM 0 HB VAL A 584 11.315 3.711 4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 584 9.231 2.749 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 584 10.212 1.493 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 584 8.776 2.151 5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 584 9.252 5.088 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 584 8.797 4.490 5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 584 10.247 5.502 5.780 1.00 0.00 H new ATOM 1529 N LEU A 585 12.926 1.883 5.416 1.00 0.00 N ATOM 1530 CA LEU A 585 13.821 0.768 5.123 1.00 0.00 C ATOM 1531 C LEU A 585 14.170 0.016 6.404 1.00 0.00 C ATOM 1532 O LEU A 585 14.080 -1.211 6.458 1.00 0.00 O ATOM 1533 CB LEU A 585 15.102 1.284 4.459 1.00 0.00 C ATOM 1534 CG LEU A 585 14.860 1.491 2.961 1.00 0.00 C ATOM 1535 CD1 LEU A 585 13.706 2.474 2.756 1.00 0.00 C ATOM 1536 CD2 LEU A 585 16.126 2.055 2.313 1.00 0.00 C ATOM 0 H LEU A 585 13.183 2.763 4.969 1.00 0.00 H new ATOM 0 HA LEU A 585 13.314 0.085 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 585 15.410 2.222 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 585 15.914 0.573 4.611 1.00 0.00 H new ATOM 0 HG LEU A 585 14.608 0.535 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 585 13.537 2.619 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 585 12.802 2.075 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 585 13.956 3.430 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 585 15.954 2.202 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 585 16.377 3.009 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 585 16.950 1.355 2.454 1.00 0.00 H new ATOM 1548 N GLU A 586 14.565 0.758 7.432 1.00 0.00 N ATOM 1549 CA GLU A 586 14.920 0.147 8.707 1.00 0.00 C ATOM 1550 C GLU A 586 13.866 -0.877 9.117 1.00 0.00 C ATOM 1551 O GLU A 586 14.191 -1.938 9.647 1.00 0.00 O ATOM 1552 CB GLU A 586 15.037 1.227 9.789 1.00 0.00 C ATOM 1553 CG GLU A 586 15.861 0.696 10.966 1.00 0.00 C ATOM 1554 CD GLU A 586 15.140 -0.475 11.626 1.00 0.00 C ATOM 1555 OE1 GLU A 586 14.129 -0.239 12.267 1.00 0.00 O ATOM 1556 OE2 GLU A 586 15.611 -1.592 11.482 1.00 0.00 O1- ATOM 0 H GLU A 586 14.647 1.774 7.409 1.00 0.00 H new ATOM 0 HA GLU A 586 15.879 -0.359 8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 586 15.509 2.119 9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 586 14.045 1.521 10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 586 16.844 0.378 10.618 1.00 0.00 H new ATOM 0 HG3 GLU A 586 16.023 1.491 11.694 1.00 0.00 H new ATOM 1563 N THR A 587 12.604 -0.549 8.865 1.00 0.00 N ATOM 1564 CA THR A 587 11.509 -1.446 9.211 1.00 0.00 C ATOM 1565 C THR A 587 11.543 -2.695 8.336 1.00 0.00 C ATOM 1566 O THR A 587 11.376 -3.813 8.825 1.00 0.00 O ATOM 1567 CB THR A 587 10.170 -0.727 9.028 1.00 0.00 C ATOM 1568 OG1 THR A 587 10.237 0.557 9.633 1.00 0.00 O ATOM 1569 CG2 THR A 587 9.055 -1.543 9.681 1.00 0.00 C ATOM 0 H THR A 587 12.315 0.325 8.426 1.00 0.00 H new ATOM 0 HA THR A 587 11.622 -1.744 10.253 1.00 0.00 H new ATOM 0 HB THR A 587 9.960 -0.618 7.964 1.00 0.00 H new ATOM 0 HG1 THR A 587 10.668 1.186 9.018 1.00 0.00 H new ATOM 0 HG21 THR A 587 8.103 -1.029 9.549 1.00 0.00 H new ATOM 0 HG22 THR A 587 9.004 -2.527 9.215 1.00 0.00 H new ATOM 0 HG23 THR A 587 9.262 -1.656 10.745 1.00 0.00 H new ATOM 1577 N ILE A 588 11.762 -2.496 7.041 1.00 0.00 N ATOM 1578 CA ILE A 588 11.818 -3.612 6.105 1.00 0.00 C ATOM 1579 C ILE A 588 13.026 -4.498 6.395 1.00 0.00 C ATOM 1580 O ILE A 588 12.991 -5.706 6.165 1.00 0.00 O ATOM 1581 CB ILE A 588 11.898 -3.085 4.670 1.00 0.00 C ATOM 1582 CG1 ILE A 588 10.591 -2.368 4.319 1.00 0.00 C ATOM 1583 CG2 ILE A 588 12.112 -4.252 3.705 1.00 0.00 C ATOM 1584 CD1 ILE A 588 10.775 -1.559 3.033 1.00 0.00 C ATOM 0 H ILE A 588 11.903 -1.579 6.618 1.00 0.00 H new ATOM 0 HA ILE A 588 10.912 -4.207 6.223 1.00 0.00 H new ATOM 0 HB ILE A 588 12.732 -2.389 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 588 9.789 -3.095 4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 588 10.296 -1.709 5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 588 12.169 -3.874 2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 588 13.041 -4.765 3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 588 11.279 -4.950 3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 588 9.843 -1.050 2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 588 11.564 -0.821 3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 588 11.049 -2.229 2.218 1.00 0.00 H new ATOM 1596 N SER A 589 14.094 -3.890 6.902 1.00 0.00 N ATOM 1597 CA SER A 589 15.306 -4.638 7.218 1.00 0.00 C ATOM 1598 C SER A 589 15.152 -5.367 8.549 1.00 0.00 C ATOM 1599 O SER A 589 15.935 -6.260 8.873 1.00 0.00 O ATOM 1600 CB SER A 589 16.502 -3.688 7.291 1.00 0.00 C ATOM 1601 OG SER A 589 16.423 -2.921 8.485 1.00 0.00 O ATOM 0 H SER A 589 14.145 -2.891 7.101 1.00 0.00 H new ATOM 0 HA SER A 589 15.473 -5.372 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 589 17.433 -4.255 7.271 1.00 0.00 H new ATOM 0 HB3 SER A 589 16.511 -3.029 6.422 1.00 0.00 H new ATOM 0 HG SER A 589 15.483 -2.753 8.705 1.00 0.00 H new ATOM 1607 N ALA A 590 14.137 -4.981 9.316 1.00 0.00 N ATOM 1608 CA ALA A 590 13.888 -5.607 10.609 1.00 0.00 C ATOM 1609 C ALA A 590 13.180 -6.946 10.430 1.00 0.00 C ATOM 1610 O ALA A 590 13.674 -7.983 10.869 1.00 0.00 O ATOM 1611 CB ALA A 590 13.030 -4.685 11.478 1.00 0.00 C ATOM 0 H ALA A 590 13.478 -4.243 9.067 1.00 0.00 H new ATOM 0 HA ALA A 590 14.846 -5.780 11.099 1.00 0.00 H new ATOM 0 HB1 ALA A 590 12.848 -5.159 12.442 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.551 -3.740 11.631 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.078 -4.498 10.981 1.00 0.00 H new ATOM 1617 N ILE A 591 12.020 -6.913 9.782 1.00 0.00 N ATOM 1618 CA ILE A 591 11.251 -8.131 9.551 1.00 0.00 C ATOM 1619 C ILE A 591 11.907 -8.985 8.471 1.00 0.00 C ATOM 1620 O ILE A 591 13.030 -8.712 8.045 1.00 0.00 O ATOM 1621 CB ILE A 591 9.825 -7.776 9.128 1.00 0.00 C ATOM 1622 CG1 ILE A 591 9.871 -6.786 7.962 1.00 0.00 C ATOM 1623 CG2 ILE A 591 9.088 -7.140 10.308 1.00 0.00 C ATOM 1624 CD1 ILE A 591 8.478 -6.666 7.340 1.00 0.00 C ATOM 0 H ILE A 591 11.594 -6.064 9.410 1.00 0.00 H new ATOM 0 HA ILE A 591 11.223 -8.701 10.480 1.00 0.00 H new ATOM 0 HB ILE A 591 9.302 -8.680 8.817 1.00 0.00 H new ATOM 0 HG12 ILE A 591 10.210 -5.811 8.312 1.00 0.00 H new ATOM 0 HG13 ILE A 591 10.588 -7.123 7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 591 8.071 -6.886 10.008 1.00 0.00 H new ATOM 0 HG22 ILE A 591 9.056 -7.844 11.139 1.00 0.00 H new ATOM 0 HG23 ILE A 591 9.611 -6.235 10.619 1.00 0.00 H new ATOM 0 HD11 ILE A 591 8.510 -5.961 6.509 1.00 0.00 H new ATOM 0 HD12 ILE A 591 8.157 -7.642 6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 591 7.773 -6.310 8.091 1.00 0.00 H new ATOM 1636 N GLU A 592 11.200 -10.021 8.030 1.00 0.00 N ATOM 1637 CA GLU A 592 11.724 -10.908 6.998 1.00 0.00 C ATOM 1638 C GLU A 592 11.783 -10.189 5.654 1.00 0.00 C ATOM 1639 O GLU A 592 10.805 -9.576 5.223 1.00 0.00 O ATOM 1640 CB GLU A 592 10.840 -12.151 6.878 1.00 0.00 C ATOM 1641 CG GLU A 592 10.862 -12.923 8.198 1.00 0.00 C ATOM 1642 CD GLU A 592 9.902 -14.106 8.128 1.00 0.00 C ATOM 1643 OE1 GLU A 592 9.768 -14.673 7.057 1.00 0.00 O ATOM 1644 OE2 GLU A 592 9.313 -14.426 9.148 1.00 0.00 O1- ATOM 0 H GLU A 592 10.269 -10.266 8.368 1.00 0.00 H new ATOM 0 HA GLU A 592 12.733 -11.208 7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 592 9.819 -11.861 6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 592 11.196 -12.786 6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 592 11.872 -13.276 8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 592 10.580 -12.264 9.019 1.00 0.00 H new ATOM 1651 N HIS A 593 12.937 -10.266 4.996 1.00 0.00 N ATOM 1652 CA HIS A 593 13.117 -9.617 3.700 1.00 0.00 C ATOM 1653 C HIS A 593 13.860 -10.539 2.737 1.00 0.00 C ATOM 1654 O HIS A 593 15.049 -10.355 2.481 1.00 0.00 O ATOM 1655 CB HIS A 593 13.906 -8.319 3.875 1.00 0.00 C ATOM 1656 CG HIS A 593 15.231 -8.622 4.521 1.00 0.00 C ATOM 1657 ND1 HIS A 593 16.429 -8.527 3.830 1.00 0.00 N ATOM 1658 CD2 HIS A 593 15.562 -9.017 5.793 1.00 0.00 C ATOM 1659 CE1 HIS A 593 17.416 -8.859 4.681 1.00 0.00 C ATOM 1660 NE2 HIS A 593 16.943 -9.167 5.892 1.00 0.00 N ATOM 0 H HIS A 593 13.757 -10.768 5.336 1.00 0.00 H new ATOM 0 HA HIS A 593 12.134 -9.394 3.286 1.00 0.00 H new ATOM 0 HB2 HIS A 593 14.061 -7.842 2.907 1.00 0.00 H new ATOM 0 HB3 HIS A 593 13.342 -7.617 4.489 1.00 0.00 H new ATOM 0 HD2 HIS A 593 14.859 -9.186 6.595 1.00 0.00 H new ATOM 0 HE1 HIS A 593 18.463 -8.875 4.418 1.00 0.00 H new ATOM 0 HE2 HIS A 593 17.478 -9.451 6.713 1.00 0.00 H new ATOM 1668 N PRO A 594 13.181 -11.520 2.202 1.00 0.00 N ATOM 1669 CA PRO A 594 13.783 -12.488 1.247 1.00 0.00 C ATOM 1670 C PRO A 594 13.981 -11.874 -0.139 1.00 0.00 C ATOM 1671 O PRO A 594 15.104 -11.554 -0.530 1.00 0.00 O ATOM 1672 CB PRO A 594 12.777 -13.657 1.198 1.00 0.00 C ATOM 1673 CG PRO A 594 11.652 -13.303 2.131 1.00 0.00 C ATOM 1674 CD PRO A 594 11.769 -11.813 2.447 1.00 0.00 C ATOM 0 HA PRO A 594 14.777 -12.804 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 594 12.406 -13.805 0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 594 13.253 -14.589 1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 594 10.689 -13.523 1.671 1.00 0.00 H new ATOM 0 HG3 PRO A 594 11.711 -13.894 3.045 1.00 0.00 H new ATOM 0 HD2 PRO A 594 11.119 -11.215 1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 594 11.488 -11.598 3.478 1.00 0.00 H new ATOM 1682 N MET A 595 12.885 -11.711 -0.874 1.00 0.00 N ATOM 1683 CA MET A 595 12.949 -11.133 -2.213 1.00 0.00 C ATOM 1684 C MET A 595 12.757 -9.622 -2.152 1.00 0.00 C ATOM 1685 O MET A 595 13.105 -8.904 -3.090 1.00 0.00 O ATOM 1686 CB MET A 595 11.867 -11.750 -3.101 1.00 0.00 C ATOM 1687 CG MET A 595 10.519 -11.699 -2.378 1.00 0.00 C ATOM 1688 SD MET A 595 9.181 -11.903 -3.581 1.00 0.00 S ATOM 1689 CE MET A 595 9.482 -13.644 -3.966 1.00 0.00 C ATOM 0 H MET A 595 11.947 -11.969 -0.568 1.00 0.00 H new ATOM 0 HA MET A 595 13.931 -11.348 -2.635 1.00 0.00 H new ATOM 0 HB2 MET A 595 11.805 -11.209 -4.045 1.00 0.00 H new ATOM 0 HB3 MET A 595 12.124 -12.782 -3.341 1.00 0.00 H new ATOM 0 HG2 MET A 595 10.468 -12.485 -1.625 1.00 0.00 H new ATOM 0 HG3 MET A 595 10.410 -10.749 -1.855 1.00 0.00 H new ATOM 0 HE1 MET A 595 8.632 -14.047 -4.517 1.00 0.00 H new ATOM 0 HE2 MET A 595 10.383 -13.732 -4.574 1.00 0.00 H new ATOM 0 HE3 MET A 595 9.613 -14.204 -3.040 1.00 0.00 H new ATOM 1699 N THR A 596 12.201 -9.147 -1.043 1.00 0.00 N ATOM 1700 CA THR A 596 11.966 -7.718 -0.870 1.00 0.00 C ATOM 1701 C THR A 596 13.259 -6.934 -1.067 1.00 0.00 C ATOM 1702 O THR A 596 13.233 -5.752 -1.411 1.00 0.00 O ATOM 1703 CB THR A 596 11.408 -7.446 0.528 1.00 0.00 C ATOM 1704 OG1 THR A 596 10.200 -8.171 0.704 1.00 0.00 O ATOM 1705 CG2 THR A 596 11.136 -5.949 0.689 1.00 0.00 C ATOM 0 H THR A 596 11.907 -9.725 -0.256 1.00 0.00 H new ATOM 0 HA THR A 596 11.242 -7.395 -1.618 1.00 0.00 H new ATOM 0 HB THR A 596 12.134 -7.763 1.277 1.00 0.00 H new ATOM 0 HG1 THR A 596 9.843 -7.999 1.600 1.00 0.00 H new ATOM 0 HG21 THR A 596 10.738 -5.757 1.685 1.00 0.00 H new ATOM 0 HG22 THR A 596 12.065 -5.394 0.555 1.00 0.00 H new ATOM 0 HG23 THR A 596 10.411 -5.628 -0.059 1.00 0.00 H new ATOM 1713 N SER A 597 14.389 -7.599 -0.847 1.00 0.00 N ATOM 1714 CA SER A 597 15.686 -6.953 -1.004 1.00 0.00 C ATOM 1715 C SER A 597 15.729 -6.145 -2.297 1.00 0.00 C ATOM 1716 O SER A 597 16.475 -5.172 -2.409 1.00 0.00 O ATOM 1717 CB SER A 597 16.795 -8.007 -1.022 1.00 0.00 C ATOM 1718 OG SER A 597 16.602 -8.909 0.060 1.00 0.00 O ATOM 0 H SER A 597 14.433 -8.577 -0.562 1.00 0.00 H new ATOM 0 HA SER A 597 15.839 -6.278 -0.162 1.00 0.00 H new ATOM 0 HB2 SER A 597 16.783 -8.548 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 597 17.770 -7.527 -0.941 1.00 0.00 H new ATOM 0 HG SER A 597 16.132 -9.707 -0.259 1.00 0.00 H new ATOM 1724 N ALA A 598 14.922 -6.555 -3.271 1.00 0.00 N ATOM 1725 CA ALA A 598 14.874 -5.862 -4.553 1.00 0.00 C ATOM 1726 C ALA A 598 14.273 -4.471 -4.388 1.00 0.00 C ATOM 1727 O ALA A 598 14.802 -3.489 -4.911 1.00 0.00 O ATOM 1728 CB ALA A 598 14.041 -6.667 -5.551 1.00 0.00 C ATOM 0 H ALA A 598 14.297 -7.358 -3.198 1.00 0.00 H new ATOM 0 HA ALA A 598 15.892 -5.762 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 598 14.010 -6.142 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 598 14.491 -7.650 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 598 13.027 -6.783 -5.168 1.00 0.00 H new ATOM 1734 N ILE A 599 13.166 -4.390 -3.655 1.00 0.00 N ATOM 1735 CA ILE A 599 12.507 -3.110 -3.427 1.00 0.00 C ATOM 1736 C ILE A 599 13.315 -2.266 -2.446 1.00 0.00 C ATOM 1737 O ILE A 599 13.296 -1.037 -2.508 1.00 0.00 O ATOM 1738 CB ILE A 599 11.094 -3.331 -2.872 1.00 0.00 C ATOM 1739 CG1 ILE A 599 10.217 -4.028 -3.927 1.00 0.00 C ATOM 1740 CG2 ILE A 599 10.475 -1.977 -2.512 1.00 0.00 C ATOM 1741 CD1 ILE A 599 10.286 -5.546 -3.741 1.00 0.00 C ATOM 0 H ILE A 599 12.711 -5.188 -3.213 1.00 0.00 H new ATOM 0 HA ILE A 599 12.439 -2.584 -4.379 1.00 0.00 H new ATOM 0 HB ILE A 599 11.152 -3.960 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 599 9.185 -3.688 -3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 599 10.555 -3.760 -4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 599 9.471 -2.130 -2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 599 11.090 -1.484 -1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 599 10.423 -1.352 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 599 9.663 -6.033 -4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 599 11.317 -5.880 -3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 599 9.927 -5.807 -2.746 1.00 0.00 H new ATOM 1753 N GLU A 600 14.025 -2.936 -1.543 1.00 0.00 N ATOM 1754 CA GLU A 600 14.837 -2.236 -0.556 1.00 0.00 C ATOM 1755 C GLU A 600 15.879 -1.362 -1.247 1.00 0.00 C ATOM 1756 O GLU A 600 16.172 -0.256 -0.796 1.00 0.00 O ATOM 1757 CB GLU A 600 15.538 -3.245 0.355 1.00 0.00 C ATOM 1758 CG GLU A 600 16.147 -2.514 1.553 1.00 0.00 C ATOM 1759 CD GLU A 600 17.039 -3.465 2.345 1.00 0.00 C ATOM 1760 OE1 GLU A 600 17.922 -4.056 1.745 1.00 0.00 O ATOM 1761 OE2 GLU A 600 16.827 -3.586 3.540 1.00 0.00 O1- ATOM 0 H GLU A 600 14.054 -3.953 -1.475 1.00 0.00 H new ATOM 0 HA GLU A 600 14.183 -1.601 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 600 14.827 -3.997 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 600 16.317 -3.771 -0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 600 16.728 -1.658 1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 600 15.355 -2.126 2.194 1.00 0.00 H new ATOM 1768 N VAL A 601 16.431 -1.867 -2.345 1.00 0.00 N ATOM 1769 CA VAL A 601 17.438 -1.123 -3.094 1.00 0.00 C ATOM 1770 C VAL A 601 16.781 -0.023 -3.924 1.00 0.00 C ATOM 1771 O VAL A 601 17.334 1.065 -4.080 1.00 0.00 O ATOM 1772 CB VAL A 601 18.210 -2.068 -4.014 1.00 0.00 C ATOM 1773 CG1 VAL A 601 19.205 -1.264 -4.854 1.00 0.00 C ATOM 1774 CG2 VAL A 601 18.969 -3.094 -3.170 1.00 0.00 C ATOM 0 H VAL A 601 16.201 -2.781 -2.734 1.00 0.00 H new ATOM 0 HA VAL A 601 18.128 -0.666 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 601 17.511 -2.584 -4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 601 19.756 -1.938 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 601 18.666 -0.532 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 601 19.904 -0.748 -4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 601 19.520 -3.768 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 601 19.667 -2.578 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 601 18.261 -3.668 -2.571 1.00 0.00 H new ATOM 1784 N LEU A 602 15.599 -0.316 -4.456 1.00 0.00 N ATOM 1785 CA LEU A 602 14.876 0.654 -5.270 1.00 0.00 C ATOM 1786 C LEU A 602 14.564 1.906 -4.456 1.00 0.00 C ATOM 1787 O LEU A 602 15.059 2.992 -4.758 1.00 0.00 O ATOM 1788 CB LEU A 602 13.573 0.031 -5.784 1.00 0.00 C ATOM 1789 CG LEU A 602 12.809 1.043 -6.647 1.00 0.00 C ATOM 1790 CD1 LEU A 602 13.654 1.435 -7.864 1.00 0.00 C ATOM 1791 CD2 LEU A 602 11.497 0.410 -7.120 1.00 0.00 C ATOM 0 H LEU A 602 15.124 -1.211 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 602 15.502 0.935 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 602 13.794 -0.863 -6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 602 12.954 -0.282 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 602 12.599 1.935 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 602 13.105 2.154 -8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 602 14.589 1.883 -7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 602 13.870 0.547 -8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 602 10.949 1.125 -7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 602 11.714 -0.482 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 602 10.893 0.136 -6.255 1.00 0.00 H new ATOM 1803 N VAL A 603 13.739 1.749 -3.425 1.00 0.00 N ATOM 1804 CA VAL A 603 13.370 2.876 -2.578 1.00 0.00 C ATOM 1805 C VAL A 603 14.615 3.581 -2.051 1.00 0.00 C ATOM 1806 O VAL A 603 14.760 4.796 -2.194 1.00 0.00 O ATOM 1807 CB VAL A 603 12.521 2.390 -1.401 1.00 0.00 C ATOM 1808 CG1 VAL A 603 12.027 3.593 -0.595 1.00 0.00 C ATOM 1809 CG2 VAL A 603 11.321 1.605 -1.932 1.00 0.00 C ATOM 0 H VAL A 603 13.317 0.860 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 603 12.792 3.581 -3.176 1.00 0.00 H new ATOM 0 HB VAL A 603 13.123 1.747 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 603 11.422 3.246 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 603 12.882 4.154 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 603 11.424 4.237 -1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 603 10.715 1.258 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 603 10.720 2.249 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 603 11.672 0.748 -2.506 1.00 0.00 H new ATOM 1819 N GLY A 604 15.513 2.813 -1.443 1.00 0.00 N ATOM 1820 CA GLY A 604 16.743 3.376 -0.901 1.00 0.00 C ATOM 1821 C GLY A 604 17.405 4.307 -1.910 1.00 0.00 C ATOM 1822 O GLY A 604 17.647 5.479 -1.622 1.00 0.00 O ATOM 0 H GLY A 604 15.413 1.806 -1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 604 16.524 3.923 0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 604 17.430 2.572 -0.636 1.00 0.00 H new ATOM 1826 N SER A 605 17.693 3.778 -3.095 1.00 0.00 N ATOM 1827 CA SER A 605 18.325 4.573 -4.141 1.00 0.00 C ATOM 1828 C SER A 605 17.440 5.754 -4.525 1.00 0.00 C ATOM 1829 O SER A 605 17.919 6.754 -5.057 1.00 0.00 O ATOM 1830 CB SER A 605 18.582 3.704 -5.373 1.00 0.00 C ATOM 1831 OG SER A 605 19.257 2.517 -4.978 1.00 0.00 O ATOM 0 H SER A 605 17.501 2.810 -3.353 1.00 0.00 H new ATOM 0 HA SER A 605 19.273 4.953 -3.760 1.00 0.00 H new ATOM 0 HB2 SER A 605 17.639 3.455 -5.860 1.00 0.00 H new ATOM 0 HB3 SER A 605 19.181 4.252 -6.100 1.00 0.00 H new ATOM 0 HG SER A 605 18.630 1.764 -4.994 1.00 0.00 H new ATOM 1837 N CYS A 606 16.144 5.629 -4.251 1.00 0.00 N ATOM 1838 CA CYS A 606 15.195 6.692 -4.571 1.00 0.00 C ATOM 1839 C CYS A 606 14.883 7.521 -3.329 1.00 0.00 C ATOM 1840 O CYS A 606 13.856 7.319 -2.680 1.00 0.00 O ATOM 1841 CB CYS A 606 13.903 6.087 -5.120 1.00 0.00 C ATOM 1842 SG CYS A 606 12.857 7.405 -5.786 1.00 0.00 S ATOM 0 H CYS A 606 15.729 4.808 -3.811 1.00 0.00 H new ATOM 0 HA CYS A 606 15.642 7.340 -5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 606 14.131 5.360 -5.899 1.00 0.00 H new ATOM 0 HB3 CYS A 606 13.375 5.552 -4.331 1.00 0.00 H new ATOM 0 HG CYS A 606 11.758 6.892 -6.255 1.00 0.00 H new ATOM 1848 N ALA A 607 15.772 8.453 -3.006 1.00 0.00 N ATOM 1849 CA ALA A 607 15.579 9.307 -1.840 1.00 0.00 C ATOM 1850 C ALA A 607 16.485 10.532 -1.917 1.00 0.00 C ATOM 1851 O ALA A 607 16.292 11.407 -2.762 1.00 0.00 O ATOM 1852 CB ALA A 607 15.882 8.522 -0.562 1.00 0.00 C ATOM 0 H ALA A 607 16.627 8.636 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 607 14.541 9.639 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 607 15.736 9.167 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 607 15.212 7.665 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 607 16.915 8.174 -0.585 1.00 0.00 H new