USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=23 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 HE2:sc= -2.7! C(o=-2.9!,f=-12!) USER MOD Set 1.2: A 597 SER OG : rot 92:sc= -0.156! USER MOD Single : A 500 SER OG : rot -113:sc= -0.701! USER MOD Single : A 501 LYS NZ :NH3+ -162:sc= -0.354 (180deg=-1.05) USER MOD Single : A 502 ASN : amide:sc= -5.52! C(o=-5.5!,f=-19!) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 THR OG1 : rot 180:sc= 0 USER MOD Single : A 522 THR OG1 : rot 180:sc= 0 USER MOD Single : A 525 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot -50:sc= 0.364 USER MOD Single : A 532 HIS : no HD1:sc= -0.0605 X(o=-0.06,f=-0.017) USER MOD Single : A 537 THR OG1 : rot 118:sc= 0.0783 USER MOD Single : A 538 CYS SG : rot 36:sc= 0.481 USER MOD Single : A 539 ASN : amide:sc= -1.77 K(o=-1.8,f=-6.5!) USER MOD Single : A 543 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A 544 THR OG1 : rot 68:sc= 0.674 USER MOD Single : A 545 SER OG : rot 140:sc= 0 USER MOD Single : A 547 MET CE :methyl 178:sc= -0.0726 (180deg=-0.0741) USER MOD Single : A 549 ASN : amide:sc= -0.788 K(o=-0.79,f=-0.26) USER MOD Single : A 554 THR OG1 : rot 180:sc= -0.501 USER MOD Single : A 559 LYS NZ :NH3+ 163:sc=-0.00296 (180deg=-0.124) USER MOD Single : A 560 THR OG1 : rot 180:sc= 0.102! USER MOD Single : A 574 TYR OH : rot 90:sc= -0.0417 USER MOD Single : A 575 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 577 GLN : amide:sc= -6.13! C(o=-6.1!,f=-2!) USER MOD Single : A 580 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.52) USER MOD Single : A 587 THR OG1 : rot 78:sc= 0.0514 USER MOD Single : A 589 SER OG : rot 180:sc= 0 USER MOD Single : A 595 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 596 THR OG1 : rot 180:sc= 0 USER MOD Single : A 605 SER OG : rot 180:sc= 0 USER MOD Single : A 606 CYS SG : rot -38:sc= 0.697 USER MOD ----------------------------------------------------------------- ATOM 112 N ILE A 490 -13.871 1.982 -10.135 1.00 0.00 N ATOM 113 CA ILE A 490 -12.689 2.615 -9.564 1.00 0.00 C ATOM 114 C ILE A 490 -12.240 3.787 -10.430 1.00 0.00 C ATOM 115 O ILE A 490 -11.618 4.728 -9.940 1.00 0.00 O ATOM 116 CB ILE A 490 -11.553 1.597 -9.450 1.00 0.00 C ATOM 117 CG1 ILE A 490 -12.071 0.318 -8.779 1.00 0.00 C ATOM 118 CG2 ILE A 490 -10.418 2.189 -8.612 1.00 0.00 C ATOM 119 CD1 ILE A 490 -12.781 0.665 -7.466 1.00 0.00 C ATOM 0 HA ILE A 490 -12.943 2.987 -8.571 1.00 0.00 H new ATOM 0 HB ILE A 490 -11.183 1.357 -10.447 1.00 0.00 H new ATOM 0 HG12 ILE A 490 -12.758 -0.200 -9.448 1.00 0.00 H new ATOM 0 HG13 ILE A 490 -11.242 -0.362 -8.585 1.00 0.00 H new ATOM 0 HG21 ILE A 490 -9.609 1.463 -8.531 1.00 0.00 H new ATOM 0 HG22 ILE A 490 -10.046 3.095 -9.091 1.00 0.00 H new ATOM 0 HG23 ILE A 490 -10.789 2.431 -7.616 1.00 0.00 H new ATOM 0 HD11 ILE A 490 -13.145 -0.249 -6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 490 -12.082 1.164 -6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 490 -13.622 1.328 -7.671 1.00 0.00 H new ATOM 131 N LEU A 491 -12.561 3.724 -11.719 1.00 0.00 N ATOM 132 CA LEU A 491 -12.185 4.790 -12.640 1.00 0.00 C ATOM 133 C LEU A 491 -12.904 6.083 -12.268 1.00 0.00 C ATOM 134 O LEU A 491 -12.309 6.989 -11.681 1.00 0.00 O ATOM 135 CB LEU A 491 -12.544 4.390 -14.076 1.00 0.00 C ATOM 136 CG LEU A 491 -11.925 5.386 -15.075 1.00 0.00 C ATOM 137 CD1 LEU A 491 -11.432 4.632 -16.314 1.00 0.00 C ATOM 138 CD2 LEU A 491 -12.976 6.417 -15.502 1.00 0.00 C ATOM 0 H LEU A 491 -13.076 2.954 -12.146 1.00 0.00 H new ATOM 0 HA LEU A 491 -11.109 4.951 -12.572 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -12.181 3.383 -14.283 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -13.627 4.369 -14.196 1.00 0.00 H new ATOM 0 HG LEU A 491 -11.089 5.895 -14.596 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -10.994 5.338 -17.020 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -10.680 3.900 -16.019 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -12.271 4.120 -16.786 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -12.532 7.118 -16.208 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -13.815 5.907 -15.976 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -13.330 6.960 -14.626 1.00 0.00 H new ATOM 150 N GLY A 492 -14.187 6.161 -12.608 1.00 0.00 N ATOM 151 CA GLY A 492 -14.976 7.346 -12.297 1.00 0.00 C ATOM 152 C GLY A 492 -14.773 7.751 -10.841 1.00 0.00 C ATOM 153 O GLY A 492 -14.483 8.910 -10.542 1.00 0.00 O ATOM 0 H GLY A 492 -14.698 5.424 -13.095 1.00 0.00 H new ATOM 0 HA2 GLY A 492 -14.686 8.167 -12.953 1.00 0.00 H new ATOM 0 HA3 GLY A 492 -16.032 7.147 -12.482 1.00 0.00 H new ATOM 157 N LEU A 493 -14.920 6.784 -9.942 1.00 0.00 N ATOM 158 CA LEU A 493 -14.742 7.044 -8.519 1.00 0.00 C ATOM 159 C LEU A 493 -13.267 7.281 -8.212 1.00 0.00 C ATOM 160 O LEU A 493 -12.910 7.735 -7.126 1.00 0.00 O ATOM 161 CB LEU A 493 -15.257 5.852 -7.703 1.00 0.00 C ATOM 162 CG LEU A 493 -15.513 6.278 -6.249 1.00 0.00 C ATOM 163 CD1 LEU A 493 -16.903 6.909 -6.125 1.00 0.00 C ATOM 164 CD2 LEU A 493 -15.437 5.049 -5.338 1.00 0.00 C ATOM 0 H LEU A 493 -15.160 5.820 -10.171 1.00 0.00 H new ATOM 0 HA LEU A 493 -15.309 7.935 -8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -16.177 5.469 -8.145 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -14.529 5.041 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 493 -14.758 7.007 -5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -17.076 7.208 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -16.964 7.785 -6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -17.660 6.184 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -15.618 5.349 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -16.191 4.323 -5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -14.447 4.599 -5.416 1.00 0.00 H new ATOM 176 N GLY A 494 -12.415 6.971 -9.185 1.00 0.00 N ATOM 177 CA GLY A 494 -10.977 7.152 -9.019 1.00 0.00 C ATOM 178 C GLY A 494 -10.631 8.629 -8.868 1.00 0.00 C ATOM 179 O GLY A 494 -9.889 9.015 -7.966 1.00 0.00 O ATOM 0 H GLY A 494 -12.694 6.595 -10.092 1.00 0.00 H new ATOM 0 HA2 GLY A 494 -10.636 6.602 -8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 494 -10.452 6.737 -9.879 1.00 0.00 H new ATOM 183 N ILE A 495 -11.173 9.450 -9.764 1.00 0.00 N ATOM 184 CA ILE A 495 -10.916 10.885 -9.728 1.00 0.00 C ATOM 185 C ILE A 495 -11.921 11.592 -8.822 1.00 0.00 C ATOM 186 O ILE A 495 -11.740 12.758 -8.472 1.00 0.00 O ATOM 187 CB ILE A 495 -11.008 11.462 -11.141 1.00 0.00 C ATOM 188 CG1 ILE A 495 -10.613 12.941 -11.116 1.00 0.00 C ATOM 189 CG2 ILE A 495 -12.443 11.330 -11.656 1.00 0.00 C ATOM 190 CD1 ILE A 495 -10.369 13.428 -12.545 1.00 0.00 C ATOM 0 H ILE A 495 -11.789 9.148 -10.519 1.00 0.00 H new ATOM 0 HA ILE A 495 -9.914 11.046 -9.330 1.00 0.00 H new ATOM 0 HB ILE A 495 -10.333 10.915 -11.799 1.00 0.00 H new ATOM 0 HG12 ILE A 495 -11.402 13.531 -10.649 1.00 0.00 H new ATOM 0 HG13 ILE A 495 -9.714 13.078 -10.515 1.00 0.00 H new ATOM 0 HG21 ILE A 495 -12.507 11.742 -12.663 1.00 0.00 H new ATOM 0 HG22 ILE A 495 -12.727 10.278 -11.675 1.00 0.00 H new ATOM 0 HG23 ILE A 495 -13.118 11.876 -10.997 1.00 0.00 H new ATOM 0 HD11 ILE A 495 -10.088 14.481 -12.528 1.00 0.00 H new ATOM 0 HD12 ILE A 495 -9.566 12.845 -12.996 1.00 0.00 H new ATOM 0 HD13 ILE A 495 -11.279 13.305 -13.132 1.00 0.00 H new ATOM 202 N ALA A 496 -12.980 10.881 -8.448 1.00 0.00 N ATOM 203 CA ALA A 496 -14.008 11.458 -7.588 1.00 0.00 C ATOM 204 C ALA A 496 -13.552 11.468 -6.131 1.00 0.00 C ATOM 205 O ALA A 496 -14.034 12.266 -5.327 1.00 0.00 O ATOM 206 CB ALA A 496 -15.308 10.658 -7.714 1.00 0.00 C ATOM 0 H ALA A 496 -13.149 9.913 -8.724 1.00 0.00 H new ATOM 0 HA ALA A 496 -14.182 12.486 -7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 496 -16.069 11.096 -7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 496 -15.651 10.682 -8.748 1.00 0.00 H new ATOM 0 HB3 ALA A 496 -15.130 9.625 -7.415 1.00 0.00 H new ATOM 212 N PHE A 497 -12.626 10.576 -5.794 1.00 0.00 N ATOM 213 CA PHE A 497 -12.122 10.497 -4.426 1.00 0.00 C ATOM 214 C PHE A 497 -11.588 11.854 -3.974 1.00 0.00 C ATOM 215 O PHE A 497 -11.206 12.023 -2.817 1.00 0.00 O ATOM 216 CB PHE A 497 -11.004 9.450 -4.330 1.00 0.00 C ATOM 217 CG PHE A 497 -11.598 8.077 -4.108 1.00 0.00 C ATOM 218 CD1 PHE A 497 -12.343 7.813 -2.950 1.00 0.00 C ATOM 219 CD2 PHE A 497 -11.401 7.066 -5.057 1.00 0.00 C ATOM 220 CE1 PHE A 497 -12.889 6.541 -2.744 1.00 0.00 C ATOM 221 CE2 PHE A 497 -11.948 5.794 -4.850 1.00 0.00 C ATOM 222 CZ PHE A 497 -12.692 5.531 -3.694 1.00 0.00 C ATOM 0 H PHE A 497 -12.213 9.904 -6.441 1.00 0.00 H new ATOM 0 HA PHE A 497 -12.946 10.204 -3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 497 -10.411 9.455 -5.244 1.00 0.00 H new ATOM 0 HB3 PHE A 497 -10.330 9.700 -3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 497 -12.496 8.591 -2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 497 -10.827 7.268 -5.949 1.00 0.00 H new ATOM 0 HE1 PHE A 497 -13.463 6.338 -1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 497 -11.796 5.015 -5.583 1.00 0.00 H new ATOM 0 HZ PHE A 497 -13.114 4.550 -3.535 1.00 0.00 H new ATOM 232 N ALA A 498 -11.562 12.817 -4.890 1.00 0.00 N ATOM 233 CA ALA A 498 -11.071 14.150 -4.561 1.00 0.00 C ATOM 234 C ALA A 498 -11.609 14.595 -3.205 1.00 0.00 C ATOM 235 O ALA A 498 -11.054 15.490 -2.567 1.00 0.00 O ATOM 236 CB ALA A 498 -11.498 15.147 -5.640 1.00 0.00 C ATOM 0 H ALA A 498 -11.871 12.702 -5.855 1.00 0.00 H new ATOM 0 HA ALA A 498 -9.983 14.117 -4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 498 -11.127 16.140 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 498 -11.086 14.841 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 498 -12.586 15.172 -5.703 1.00 0.00 H new ATOM 242 N GLY A 499 -12.686 13.953 -2.767 1.00 0.00 N ATOM 243 CA GLY A 499 -13.292 14.274 -1.480 1.00 0.00 C ATOM 244 C GLY A 499 -12.349 13.911 -0.339 1.00 0.00 C ATOM 245 O GLY A 499 -12.656 14.139 0.831 1.00 0.00 O ATOM 0 H GLY A 499 -13.157 13.209 -3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -13.530 15.337 -1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -14.232 13.733 -1.369 1.00 0.00 H new ATOM 249 N SER A 500 -11.202 13.336 -0.694 1.00 0.00 N ATOM 250 CA SER A 500 -10.208 12.930 0.295 1.00 0.00 C ATOM 251 C SER A 500 -10.103 13.954 1.425 1.00 0.00 C ATOM 252 O SER A 500 -9.593 13.648 2.504 1.00 0.00 O ATOM 253 CB SER A 500 -8.846 12.760 -0.384 1.00 0.00 C ATOM 254 OG SER A 500 -8.589 11.376 -0.576 1.00 0.00 O ATOM 0 H SER A 500 -10.939 13.141 -1.660 1.00 0.00 H new ATOM 0 HA SER A 500 -10.522 11.980 0.728 1.00 0.00 H new ATOM 0 HB2 SER A 500 -8.836 13.280 -1.342 1.00 0.00 H new ATOM 0 HB3 SER A 500 -8.063 13.206 0.229 1.00 0.00 H new ATOM 0 HG SER A 500 -7.837 11.101 -0.011 1.00 0.00 H new ATOM 260 N LYS A 501 -10.590 15.166 1.177 1.00 0.00 N ATOM 261 CA LYS A 501 -10.544 16.213 2.188 1.00 0.00 C ATOM 262 C LYS A 501 -11.628 15.972 3.237 1.00 0.00 C ATOM 263 O LYS A 501 -12.088 16.902 3.898 1.00 0.00 O ATOM 264 CB LYS A 501 -10.743 17.586 1.532 1.00 0.00 C ATOM 265 CG LYS A 501 -9.387 18.180 1.135 1.00 0.00 C ATOM 266 CD LYS A 501 -8.715 17.284 0.090 1.00 0.00 C ATOM 267 CE LYS A 501 -7.335 17.848 -0.260 1.00 0.00 C ATOM 268 NZ LYS A 501 -7.394 19.338 -0.282 1.00 0.00 N ATOM 0 H LYS A 501 -11.017 15.444 0.293 1.00 0.00 H new ATOM 0 HA LYS A 501 -9.569 16.193 2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 501 -11.378 17.489 0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 501 -11.255 18.257 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 501 -9.523 19.184 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 501 -8.748 18.272 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 501 -8.617 16.269 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 501 -9.333 17.226 -0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 501 -6.599 17.514 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 501 -7.013 17.472 -1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 -6.574 19.710 -0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 -8.270 19.644 -0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 -7.379 19.700 0.693 1.00 0.00 H new ATOM 282 N ASN A 502 -12.023 14.710 3.384 1.00 0.00 N ATOM 283 CA ASN A 502 -13.048 14.340 4.355 1.00 0.00 C ATOM 284 C ASN A 502 -12.676 13.030 5.046 1.00 0.00 C ATOM 285 O ASN A 502 -11.913 12.228 4.507 1.00 0.00 O ATOM 286 CB ASN A 502 -14.403 14.192 3.660 1.00 0.00 C ATOM 287 CG ASN A 502 -14.326 13.108 2.592 1.00 0.00 C ATOM 288 OD1 ASN A 502 -13.758 12.043 2.829 1.00 0.00 O ATOM 289 ND2 ASN A 502 -14.866 13.317 1.423 1.00 0.00 N ATOM 0 H ASN A 502 -11.650 13.929 2.845 1.00 0.00 H new ATOM 0 HA ASN A 502 -13.116 15.128 5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 502 -15.170 13.939 4.392 1.00 0.00 H new ATOM 0 HB3 ASN A 502 -14.694 15.140 3.207 1.00 0.00 H new ATOM 0 HD21 ASN A 502 -14.818 12.596 0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 502 -15.336 14.201 1.229 1.00 0.00 H new ATOM 296 N ASP A 503 -13.211 12.829 6.245 1.00 0.00 N ATOM 297 CA ASP A 503 -12.926 11.621 7.012 1.00 0.00 C ATOM 298 C ASP A 503 -13.735 10.432 6.500 1.00 0.00 C ATOM 299 O ASP A 503 -13.580 9.313 6.989 1.00 0.00 O ATOM 300 CB ASP A 503 -13.249 11.857 8.488 1.00 0.00 C ATOM 301 CG ASP A 503 -14.715 12.243 8.647 1.00 0.00 C ATOM 302 OD1 ASP A 503 -15.030 13.400 8.427 1.00 0.00 O ATOM 303 OD2 ASP A 503 -15.503 11.374 8.984 1.00 0.00 O ATOM 0 H ASP A 503 -13.842 13.484 6.706 1.00 0.00 H new ATOM 0 HA ASP A 503 -11.867 11.391 6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 503 -13.038 10.956 9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 503 -12.612 12.646 8.886 1.00 0.00 H new ATOM 308 N GLU A 504 -14.605 10.677 5.527 1.00 0.00 N ATOM 309 CA GLU A 504 -15.437 9.612 4.977 1.00 0.00 C ATOM 310 C GLU A 504 -14.662 8.796 3.949 1.00 0.00 C ATOM 311 O GLU A 504 -14.756 7.569 3.915 1.00 0.00 O ATOM 312 CB GLU A 504 -16.682 10.209 4.321 1.00 0.00 C ATOM 313 CG GLU A 504 -17.681 9.093 4.012 1.00 0.00 C ATOM 314 CD GLU A 504 -18.863 9.652 3.227 1.00 0.00 C ATOM 315 OE1 GLU A 504 -19.190 10.809 3.434 1.00 0.00 O ATOM 316 OE2 GLU A 504 -19.421 8.917 2.431 1.00 0.00 O ATOM 0 H GLU A 504 -14.752 11.594 5.106 1.00 0.00 H new ATOM 0 HA GLU A 504 -15.734 8.954 5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -17.137 10.946 4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -16.408 10.731 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -17.193 8.306 3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -18.032 8.641 4.940 1.00 0.00 H new ATOM 323 N VAL A 505 -13.902 9.485 3.108 1.00 0.00 N ATOM 324 CA VAL A 505 -13.119 8.818 2.076 1.00 0.00 C ATOM 325 C VAL A 505 -11.941 8.065 2.693 1.00 0.00 C ATOM 326 O VAL A 505 -11.847 6.843 2.580 1.00 0.00 O ATOM 327 CB VAL A 505 -12.608 9.859 1.073 1.00 0.00 C ATOM 328 CG1 VAL A 505 -11.443 9.279 0.268 1.00 0.00 C ATOM 329 CG2 VAL A 505 -13.741 10.248 0.120 1.00 0.00 C ATOM 0 H VAL A 505 -13.811 10.501 3.120 1.00 0.00 H new ATOM 0 HA VAL A 505 -13.754 8.096 1.563 1.00 0.00 H new ATOM 0 HB VAL A 505 -12.266 10.740 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 505 -11.085 10.024 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 505 -10.634 9.005 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 505 -11.779 8.394 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 505 -13.378 10.988 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 505 -14.084 9.364 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 505 -14.568 10.669 0.691 1.00 0.00 H new ATOM 339 N LEU A 506 -11.045 8.803 3.337 1.00 0.00 N ATOM 340 CA LEU A 506 -9.874 8.199 3.961 1.00 0.00 C ATOM 341 C LEU A 506 -10.283 7.241 5.078 1.00 0.00 C ATOM 342 O LEU A 506 -9.587 6.263 5.353 1.00 0.00 O ATOM 343 CB LEU A 506 -8.967 9.295 4.529 1.00 0.00 C ATOM 344 CG LEU A 506 -7.698 8.665 5.127 1.00 0.00 C ATOM 345 CD1 LEU A 506 -6.457 9.389 4.597 1.00 0.00 C ATOM 346 CD2 LEU A 506 -7.732 8.782 6.653 1.00 0.00 C ATOM 0 H LEU A 506 -11.106 9.816 3.441 1.00 0.00 H new ATOM 0 HA LEU A 506 -9.335 7.633 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -8.698 10.000 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -9.499 9.859 5.295 1.00 0.00 H new ATOM 0 HG LEU A 506 -7.657 7.614 4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -5.562 8.937 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -6.422 9.304 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -6.502 10.441 4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -6.831 8.334 7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -7.780 9.833 6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -8.609 8.262 7.038 1.00 0.00 H new ATOM 358 N GLY A 507 -11.409 7.530 5.720 1.00 0.00 N ATOM 359 CA GLY A 507 -11.893 6.688 6.810 1.00 0.00 C ATOM 360 C GLY A 507 -12.524 5.403 6.283 1.00 0.00 C ATOM 361 O GLY A 507 -12.669 4.430 7.021 1.00 0.00 O ATOM 0 H GLY A 507 -12.000 8.334 5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -11.066 6.442 7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -12.625 7.239 7.400 1.00 0.00 H new ATOM 365 N LEU A 508 -12.907 5.406 5.009 1.00 0.00 N ATOM 366 CA LEU A 508 -13.527 4.230 4.402 1.00 0.00 C ATOM 367 C LEU A 508 -12.466 3.288 3.831 1.00 0.00 C ATOM 368 O LEU A 508 -12.407 2.109 4.185 1.00 0.00 O ATOM 369 CB LEU A 508 -14.483 4.669 3.287 1.00 0.00 C ATOM 370 CG LEU A 508 -15.116 3.441 2.622 1.00 0.00 C ATOM 371 CD1 LEU A 508 -15.872 2.612 3.666 1.00 0.00 C ATOM 372 CD2 LEU A 508 -16.093 3.906 1.537 1.00 0.00 C ATOM 0 H LEU A 508 -12.801 6.202 4.381 1.00 0.00 H new ATOM 0 HA LEU A 508 -14.083 3.696 5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 508 -15.262 5.312 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 508 -13.943 5.256 2.545 1.00 0.00 H new ATOM 0 HG LEU A 508 -14.333 2.826 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 508 -16.319 1.742 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 508 -15.179 2.283 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 508 -16.657 3.221 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 508 -16.547 3.038 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 508 -16.872 4.521 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 508 -15.556 4.491 0.790 1.00 0.00 H new ATOM 384 N LEU A 509 -11.641 3.817 2.934 1.00 0.00 N ATOM 385 CA LEU A 509 -10.594 3.021 2.302 1.00 0.00 C ATOM 386 C LEU A 509 -9.683 2.373 3.345 1.00 0.00 C ATOM 387 O LEU A 509 -9.209 1.255 3.153 1.00 0.00 O ATOM 388 CB LEU A 509 -9.763 3.908 1.366 1.00 0.00 C ATOM 389 CG LEU A 509 -10.384 3.905 -0.034 1.00 0.00 C ATOM 390 CD1 LEU A 509 -11.844 4.358 0.046 1.00 0.00 C ATOM 391 CD2 LEU A 509 -9.605 4.860 -0.940 1.00 0.00 C ATOM 0 H LEU A 509 -11.676 4.790 2.629 1.00 0.00 H new ATOM 0 HA LEU A 509 -11.071 2.226 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -9.723 4.926 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -8.737 3.544 1.320 1.00 0.00 H new ATOM 0 HG LEU A 509 -10.341 2.896 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -12.281 4.354 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -12.402 3.677 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -11.890 5.366 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -10.047 4.858 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -9.646 5.868 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -8.566 4.536 -1.003 1.00 0.00 H new ATOM 403 N LEU A 510 -9.436 3.081 4.442 1.00 0.00 N ATOM 404 CA LEU A 510 -8.571 2.555 5.494 1.00 0.00 C ATOM 405 C LEU A 510 -9.106 1.224 6.032 1.00 0.00 C ATOM 406 O LEU A 510 -8.469 0.184 5.866 1.00 0.00 O ATOM 407 CB LEU A 510 -8.444 3.583 6.635 1.00 0.00 C ATOM 408 CG LEU A 510 -7.132 4.381 6.515 1.00 0.00 C ATOM 409 CD1 LEU A 510 -5.962 3.542 7.043 1.00 0.00 C ATOM 410 CD2 LEU A 510 -6.870 4.772 5.050 1.00 0.00 C ATOM 0 H LEU A 510 -9.817 4.009 4.626 1.00 0.00 H new ATOM 0 HA LEU A 510 -7.584 2.373 5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 510 -9.293 4.266 6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 510 -8.475 3.070 7.596 1.00 0.00 H new ATOM 0 HG LEU A 510 -7.223 5.290 7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 510 -5.037 4.112 6.955 1.00 0.00 H new ATOM 0 HD12 LEU A 510 -6.137 3.292 8.090 1.00 0.00 H new ATOM 0 HD13 LEU A 510 -5.880 2.625 6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 510 -5.939 5.335 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 510 -6.793 3.871 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 510 -7.692 5.387 4.685 1.00 0.00 H new ATOM 422 N PRO A 511 -10.248 1.229 6.674 1.00 0.00 N ATOM 423 CA PRO A 511 -10.848 -0.009 7.241 1.00 0.00 C ATOM 424 C PRO A 511 -10.832 -1.168 6.246 1.00 0.00 C ATOM 425 O PRO A 511 -10.246 -2.218 6.513 1.00 0.00 O ATOM 426 CB PRO A 511 -12.292 0.381 7.604 1.00 0.00 C ATOM 427 CG PRO A 511 -12.468 1.824 7.228 1.00 0.00 C ATOM 428 CD PRO A 511 -11.084 2.404 6.928 1.00 0.00 C ATOM 0 HA PRO A 511 -10.281 -0.362 8.102 1.00 0.00 H new ATOM 0 HB2 PRO A 511 -13.006 -0.246 7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 511 -12.474 0.236 8.669 1.00 0.00 H new ATOM 0 HG2 PRO A 511 -13.117 1.915 6.357 1.00 0.00 H new ATOM 0 HG3 PRO A 511 -12.945 2.374 8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 511 -11.110 3.068 6.064 1.00 0.00 H new ATOM 0 HD3 PRO A 511 -10.706 2.987 7.768 1.00 0.00 H new ATOM 436 N ILE A 512 -11.487 -0.978 5.104 1.00 0.00 N ATOM 437 CA ILE A 512 -11.544 -2.027 4.089 1.00 0.00 C ATOM 438 C ILE A 512 -10.141 -2.417 3.630 1.00 0.00 C ATOM 439 O ILE A 512 -9.913 -3.550 3.205 1.00 0.00 O ATOM 440 CB ILE A 512 -12.367 -1.555 2.889 1.00 0.00 C ATOM 441 CG1 ILE A 512 -11.624 -0.429 2.166 1.00 0.00 C ATOM 442 CG2 ILE A 512 -13.725 -1.041 3.374 1.00 0.00 C ATOM 443 CD1 ILE A 512 -12.525 0.174 1.084 1.00 0.00 C ATOM 0 H ILE A 512 -11.980 -0.119 4.859 1.00 0.00 H new ATOM 0 HA ILE A 512 -12.020 -2.902 4.532 1.00 0.00 H new ATOM 0 HB ILE A 512 -12.516 -2.388 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -11.330 0.342 2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -10.708 -0.814 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 512 -14.313 -0.704 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -14.256 -1.843 3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -13.575 -0.209 4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -11.992 0.975 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -12.797 -0.599 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 512 -13.428 0.575 1.544 1.00 0.00 H new ATOM 455 N ALA A 513 -9.204 -1.478 3.717 1.00 0.00 N ATOM 456 CA ALA A 513 -7.831 -1.748 3.305 1.00 0.00 C ATOM 457 C ALA A 513 -7.094 -2.536 4.383 1.00 0.00 C ATOM 458 O ALA A 513 -6.396 -3.508 4.089 1.00 0.00 O ATOM 459 CB ALA A 513 -7.091 -0.435 3.039 1.00 0.00 C ATOM 0 H ALA A 513 -9.367 -0.533 4.065 1.00 0.00 H new ATOM 0 HA ALA A 513 -7.860 -2.339 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 513 -6.067 -0.650 2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 513 -7.599 0.115 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 513 -7.079 0.166 3.948 1.00 0.00 H new ATOM 465 N ALA A 514 -7.255 -2.113 5.633 1.00 0.00 N ATOM 466 CA ALA A 514 -6.602 -2.785 6.750 1.00 0.00 C ATOM 467 C ALA A 514 -7.408 -4.000 7.193 1.00 0.00 C ATOM 468 O ALA A 514 -7.459 -4.326 8.379 1.00 0.00 O ATOM 469 CB ALA A 514 -6.450 -1.817 7.925 1.00 0.00 C ATOM 0 H ALA A 514 -7.829 -1.312 5.897 1.00 0.00 H new ATOM 0 HA ALA A 514 -5.617 -3.118 6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -5.961 -2.327 8.755 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -5.846 -0.963 7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -7.434 -1.470 8.241 1.00 0.00 H new ATOM 475 N SER A 515 -8.040 -4.670 6.232 1.00 0.00 N ATOM 476 CA SER A 515 -8.844 -5.852 6.535 1.00 0.00 C ATOM 477 C SER A 515 -8.596 -6.949 5.505 1.00 0.00 C ATOM 478 O SER A 515 -9.406 -7.161 4.602 1.00 0.00 O ATOM 479 CB SER A 515 -10.328 -5.485 6.543 1.00 0.00 C ATOM 480 OG SER A 515 -11.077 -6.565 7.084 1.00 0.00 O ATOM 0 H SER A 515 -8.012 -4.417 5.244 1.00 0.00 H new ATOM 0 HA SER A 515 -8.555 -6.222 7.519 1.00 0.00 H new ATOM 0 HB2 SER A 515 -10.488 -4.584 7.135 1.00 0.00 H new ATOM 0 HB3 SER A 515 -10.665 -5.265 5.530 1.00 0.00 H new ATOM 0 HG SER A 515 -12.029 -6.332 7.092 1.00 0.00 H new ATOM 486 N THR A 516 -7.471 -7.642 5.646 1.00 0.00 N ATOM 487 CA THR A 516 -7.125 -8.716 4.722 1.00 0.00 C ATOM 488 C THR A 516 -8.269 -9.719 4.615 1.00 0.00 C ATOM 489 O THR A 516 -8.264 -10.591 3.746 1.00 0.00 O ATOM 490 CB THR A 516 -5.859 -9.429 5.202 1.00 0.00 C ATOM 491 OG1 THR A 516 -6.046 -9.876 6.537 1.00 0.00 O ATOM 492 CG2 THR A 516 -4.675 -8.463 5.146 1.00 0.00 C ATOM 0 H THR A 516 -6.787 -7.481 6.386 1.00 0.00 H new ATOM 0 HA THR A 516 -6.946 -8.282 3.738 1.00 0.00 H new ATOM 0 HB THR A 516 -5.657 -10.285 4.558 1.00 0.00 H new ATOM 0 HG1 THR A 516 -5.236 -10.334 6.845 1.00 0.00 H new ATOM 0 HG21 THR A 516 -3.774 -8.972 5.488 1.00 0.00 H new ATOM 0 HG22 THR A 516 -4.532 -8.122 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 516 -4.874 -7.606 5.789 1.00 0.00 H new ATOM 500 N ASP A 517 -9.248 -9.589 5.505 1.00 0.00 N ATOM 501 CA ASP A 517 -10.397 -10.488 5.505 1.00 0.00 C ATOM 502 C ASP A 517 -10.862 -10.771 4.078 1.00 0.00 C ATOM 503 O ASP A 517 -11.527 -11.773 3.819 1.00 0.00 O ATOM 504 CB ASP A 517 -11.545 -9.867 6.305 1.00 0.00 C ATOM 505 CG ASP A 517 -11.249 -9.960 7.798 1.00 0.00 C ATOM 506 OD1 ASP A 517 -10.109 -10.226 8.141 1.00 0.00 O ATOM 507 OD2 ASP A 517 -12.168 -9.763 8.576 1.00 0.00 O ATOM 0 H ASP A 517 -9.269 -8.874 6.232 1.00 0.00 H new ATOM 0 HA ASP A 517 -10.097 -11.428 5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 517 -11.678 -8.824 6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 517 -12.478 -10.382 6.078 1.00 0.00 H new ATOM 512 N LEU A 518 -10.501 -9.881 3.155 1.00 0.00 N ATOM 513 CA LEU A 518 -10.882 -10.041 1.753 1.00 0.00 C ATOM 514 C LEU A 518 -9.639 -10.018 0.862 1.00 0.00 C ATOM 515 O LEU A 518 -8.611 -9.454 1.236 1.00 0.00 O ATOM 516 CB LEU A 518 -11.840 -8.914 1.335 1.00 0.00 C ATOM 517 CG LEU A 518 -11.575 -7.659 2.180 1.00 0.00 C ATOM 518 CD1 LEU A 518 -11.945 -6.409 1.375 1.00 0.00 C ATOM 519 CD2 LEU A 518 -12.423 -7.706 3.458 1.00 0.00 C ATOM 0 H LEU A 518 -9.948 -9.046 3.351 1.00 0.00 H new ATOM 0 HA LEU A 518 -11.386 -11.001 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -11.706 -8.685 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -12.873 -9.237 1.463 1.00 0.00 H new ATOM 0 HG LEU A 518 -10.518 -7.624 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -11.756 -5.520 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -11.342 -6.368 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -13.001 -6.448 1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -12.232 -6.814 4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -13.479 -7.746 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -12.161 -8.592 4.036 1.00 0.00 H new ATOM 531 N PRO A 519 -9.712 -10.620 -0.298 1.00 0.00 N ATOM 532 CA PRO A 519 -8.568 -10.667 -1.250 1.00 0.00 C ATOM 533 C PRO A 519 -7.883 -9.308 -1.383 1.00 0.00 C ATOM 534 O PRO A 519 -8.540 -8.266 -1.358 1.00 0.00 O ATOM 535 CB PRO A 519 -9.193 -11.108 -2.588 1.00 0.00 C ATOM 536 CG PRO A 519 -10.666 -11.286 -2.345 1.00 0.00 C ATOM 537 CD PRO A 519 -10.884 -11.319 -0.833 1.00 0.00 C ATOM 0 HA PRO A 519 -7.789 -11.349 -0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 519 -9.017 -10.360 -3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 519 -8.744 -12.038 -2.936 1.00 0.00 H new ATOM 0 HG2 PRO A 519 -11.230 -10.469 -2.795 1.00 0.00 H new ATOM 0 HG3 PRO A 519 -11.021 -12.209 -2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 519 -11.811 -10.820 -0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 519 -10.946 -12.341 -0.459 1.00 0.00 H new ATOM 545 N ILE A 520 -6.563 -9.327 -1.528 1.00 0.00 N ATOM 546 CA ILE A 520 -5.802 -8.092 -1.667 1.00 0.00 C ATOM 547 C ILE A 520 -6.019 -7.485 -3.050 1.00 0.00 C ATOM 548 O ILE A 520 -5.700 -6.319 -3.285 1.00 0.00 O ATOM 549 CB ILE A 520 -4.313 -8.368 -1.456 1.00 0.00 C ATOM 550 CG1 ILE A 520 -3.854 -9.455 -2.431 1.00 0.00 C ATOM 551 CG2 ILE A 520 -4.080 -8.841 -0.020 1.00 0.00 C ATOM 552 CD1 ILE A 520 -2.358 -9.717 -2.241 1.00 0.00 C ATOM 0 H ILE A 520 -6.001 -10.178 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 520 -6.149 -7.386 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 520 -3.745 -7.455 -1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 520 -4.418 -10.372 -2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 520 -4.052 -9.144 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 520 -3.019 -9.038 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -4.408 -8.068 0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 520 -4.647 -9.754 0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 520 -2.033 -10.491 -2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 520 -1.801 -8.800 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 520 -2.173 -10.047 -1.219 1.00 0.00 H new ATOM 564 N GLU A 521 -6.565 -8.284 -3.961 1.00 0.00 N ATOM 565 CA GLU A 521 -6.821 -7.816 -5.319 1.00 0.00 C ATOM 566 C GLU A 521 -7.633 -6.525 -5.294 1.00 0.00 C ATOM 567 O GLU A 521 -7.375 -5.603 -6.068 1.00 0.00 O ATOM 568 CB GLU A 521 -7.583 -8.887 -6.104 1.00 0.00 C ATOM 569 CG GLU A 521 -7.730 -8.454 -7.566 1.00 0.00 C ATOM 570 CD GLU A 521 -8.863 -7.442 -7.702 1.00 0.00 C ATOM 571 OE1 GLU A 521 -9.933 -7.707 -7.180 1.00 0.00 O ATOM 572 OE2 GLU A 521 -8.644 -6.417 -8.327 1.00 0.00 O ATOM 0 H GLU A 521 -6.837 -9.251 -3.786 1.00 0.00 H new ATOM 0 HA GLU A 521 -5.865 -7.621 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 521 -7.053 -9.838 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 521 -8.567 -9.044 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 521 -6.796 -8.016 -7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 521 -7.931 -9.323 -8.192 1.00 0.00 H new ATOM 579 N THR A 522 -8.614 -6.467 -4.400 1.00 0.00 N ATOM 580 CA THR A 522 -9.460 -5.284 -4.281 1.00 0.00 C ATOM 581 C THR A 522 -8.781 -4.222 -3.422 1.00 0.00 C ATOM 582 O THR A 522 -8.739 -3.047 -3.789 1.00 0.00 O ATOM 583 CB THR A 522 -10.803 -5.666 -3.655 1.00 0.00 C ATOM 584 OG1 THR A 522 -11.382 -6.731 -4.397 1.00 0.00 O ATOM 585 CG2 THR A 522 -11.741 -4.458 -3.677 1.00 0.00 C ATOM 0 H THR A 522 -8.843 -7.220 -3.751 1.00 0.00 H new ATOM 0 HA THR A 522 -9.625 -4.876 -5.278 1.00 0.00 H new ATOM 0 HB THR A 522 -10.647 -5.982 -2.624 1.00 0.00 H new ATOM 0 HG1 THR A 522 -12.242 -6.979 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 522 -12.697 -4.732 -3.231 1.00 0.00 H new ATOM 0 HG22 THR A 522 -11.296 -3.641 -3.109 1.00 0.00 H new ATOM 0 HG23 THR A 522 -11.899 -4.139 -4.707 1.00 0.00 H new ATOM 593 N ALA A 523 -8.251 -4.643 -2.279 1.00 0.00 N ATOM 594 CA ALA A 523 -7.576 -3.718 -1.374 1.00 0.00 C ATOM 595 C ALA A 523 -6.451 -2.985 -2.097 1.00 0.00 C ATOM 596 O ALA A 523 -6.302 -1.771 -1.963 1.00 0.00 O ATOM 597 CB ALA A 523 -7.004 -4.480 -0.178 1.00 0.00 C ATOM 0 H ALA A 523 -8.275 -5.611 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 523 -8.305 -2.987 -1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 523 -6.502 -3.782 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 523 -7.813 -4.978 0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 523 -6.289 -5.224 -0.529 1.00 0.00 H new ATOM 603 N ALA A 524 -5.661 -3.731 -2.863 1.00 0.00 N ATOM 604 CA ALA A 524 -4.552 -3.139 -3.603 1.00 0.00 C ATOM 605 C ALA A 524 -5.058 -2.063 -4.559 1.00 0.00 C ATOM 606 O ALA A 524 -4.649 -0.905 -4.478 1.00 0.00 O ATOM 607 CB ALA A 524 -3.817 -4.220 -4.396 1.00 0.00 C ATOM 0 H ALA A 524 -5.766 -4.738 -2.987 1.00 0.00 H new ATOM 0 HA ALA A 524 -3.867 -2.682 -2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 524 -2.991 -3.769 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 524 -3.429 -4.974 -3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 524 -4.507 -4.689 -5.098 1.00 0.00 H new ATOM 613 N MET A 525 -5.951 -2.453 -5.462 1.00 0.00 N ATOM 614 CA MET A 525 -6.507 -1.514 -6.429 1.00 0.00 C ATOM 615 C MET A 525 -7.066 -0.286 -5.712 1.00 0.00 C ATOM 616 O MET A 525 -6.774 0.852 -6.087 1.00 0.00 O ATOM 617 CB MET A 525 -7.616 -2.201 -7.241 1.00 0.00 C ATOM 618 CG MET A 525 -7.435 -1.896 -8.731 1.00 0.00 C ATOM 619 SD MET A 525 -6.049 -2.865 -9.379 1.00 0.00 S ATOM 620 CE MET A 525 -5.437 -1.635 -10.558 1.00 0.00 C ATOM 0 H MET A 525 -6.303 -3.407 -5.545 1.00 0.00 H new ATOM 0 HA MET A 525 -5.716 -1.192 -7.106 1.00 0.00 H new ATOM 0 HB2 MET A 525 -7.587 -3.278 -7.075 1.00 0.00 H new ATOM 0 HB3 MET A 525 -8.593 -1.853 -6.906 1.00 0.00 H new ATOM 0 HG2 MET A 525 -8.348 -2.137 -9.276 1.00 0.00 H new ATOM 0 HG3 MET A 525 -7.248 -0.832 -8.876 1.00 0.00 H new ATOM 0 HE1 MET A 525 -4.566 -2.032 -11.079 1.00 0.00 H new ATOM 0 HE2 MET A 525 -6.219 -1.404 -11.282 1.00 0.00 H new ATOM 0 HE3 MET A 525 -5.157 -0.727 -10.024 1.00 0.00 H new ATOM 630 N ALA A 526 -7.867 -0.524 -4.678 1.00 0.00 N ATOM 631 CA ALA A 526 -8.458 0.568 -3.916 1.00 0.00 C ATOM 632 C ALA A 526 -7.369 1.478 -3.355 1.00 0.00 C ATOM 633 O ALA A 526 -7.415 2.695 -3.526 1.00 0.00 O ATOM 634 CB ALA A 526 -9.300 0.008 -2.767 1.00 0.00 C ATOM 0 H ALA A 526 -8.120 -1.457 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 526 -9.095 1.149 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 526 -9.738 0.831 -2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 526 -10.095 -0.619 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 526 -8.667 -0.587 -2.109 1.00 0.00 H new ATOM 640 N SER A 527 -6.389 0.876 -2.688 1.00 0.00 N ATOM 641 CA SER A 527 -5.290 1.641 -2.111 1.00 0.00 C ATOM 642 C SER A 527 -4.632 2.510 -3.175 1.00 0.00 C ATOM 643 O SER A 527 -4.382 3.695 -2.956 1.00 0.00 O ATOM 644 CB SER A 527 -4.252 0.694 -1.508 1.00 0.00 C ATOM 645 OG SER A 527 -3.598 -0.012 -2.555 1.00 0.00 O ATOM 0 H SER A 527 -6.333 -0.131 -2.535 1.00 0.00 H new ATOM 0 HA SER A 527 -5.690 2.284 -1.327 1.00 0.00 H new ATOM 0 HB2 SER A 527 -3.525 1.257 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 527 -4.734 -0.007 -0.827 1.00 0.00 H new ATOM 0 HG SER A 527 -4.268 -0.399 -3.157 1.00 0.00 H new ATOM 651 N LEU A 528 -4.355 1.913 -4.330 1.00 0.00 N ATOM 652 CA LEU A 528 -3.728 2.642 -5.426 1.00 0.00 C ATOM 653 C LEU A 528 -4.398 4.002 -5.608 1.00 0.00 C ATOM 654 O LEU A 528 -3.734 5.039 -5.590 1.00 0.00 O ATOM 655 CB LEU A 528 -3.837 1.829 -6.722 1.00 0.00 C ATOM 656 CG LEU A 528 -2.644 2.134 -7.632 1.00 0.00 C ATOM 657 CD1 LEU A 528 -2.776 1.338 -8.931 1.00 0.00 C ATOM 658 CD2 LEU A 528 -2.612 3.632 -7.953 1.00 0.00 C ATOM 0 H LEU A 528 -4.553 0.933 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 528 -2.676 2.798 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 528 -3.867 0.764 -6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 528 -4.768 2.070 -7.235 1.00 0.00 H new ATOM 0 HG LEU A 528 -1.721 1.852 -7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 528 -1.927 1.555 -9.579 1.00 0.00 H new ATOM 0 HD12 LEU A 528 -2.796 0.272 -8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 528 -3.700 1.619 -9.437 1.00 0.00 H new ATOM 0 HD21 LEU A 528 -1.762 3.847 -8.601 1.00 0.00 H new ATOM 0 HD22 LEU A 528 -3.535 3.915 -8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 528 -2.516 4.200 -7.028 1.00 0.00 H new ATOM 670 N ALA A 529 -5.716 3.989 -5.777 1.00 0.00 N ATOM 671 CA ALA A 529 -6.462 5.230 -5.956 1.00 0.00 C ATOM 672 C ALA A 529 -6.148 6.208 -4.829 1.00 0.00 C ATOM 673 O ALA A 529 -5.852 7.377 -5.074 1.00 0.00 O ATOM 674 CB ALA A 529 -7.963 4.938 -5.979 1.00 0.00 C ATOM 0 H ALA A 529 -6.285 3.143 -5.794 1.00 0.00 H new ATOM 0 HA ALA A 529 -6.166 5.678 -6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 529 -8.513 5.870 -6.113 1.00 0.00 H new ATOM 0 HB2 ALA A 529 -8.189 4.261 -6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 529 -8.258 4.475 -5.037 1.00 0.00 H new ATOM 680 N LEU A 530 -6.213 5.721 -3.593 1.00 0.00 N ATOM 681 CA LEU A 530 -5.932 6.564 -2.435 1.00 0.00 C ATOM 682 C LEU A 530 -4.659 7.374 -2.665 1.00 0.00 C ATOM 683 O LEU A 530 -4.633 8.586 -2.449 1.00 0.00 O ATOM 684 CB LEU A 530 -5.777 5.690 -1.180 1.00 0.00 C ATOM 685 CG LEU A 530 -6.353 6.416 0.040 1.00 0.00 C ATOM 686 CD1 LEU A 530 -6.298 5.493 1.259 1.00 0.00 C ATOM 687 CD2 LEU A 530 -5.530 7.675 0.319 1.00 0.00 C ATOM 0 H LEU A 530 -6.455 4.756 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 530 -6.764 7.254 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -6.291 4.739 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -4.724 5.462 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 530 -7.388 6.693 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -6.708 6.011 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -6.884 4.595 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -5.263 5.215 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -5.939 8.192 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -4.495 7.397 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -5.569 8.335 -0.548 1.00 0.00 H new ATOM 699 N ALA A 531 -3.604 6.695 -3.105 1.00 0.00 N ATOM 700 CA ALA A 531 -2.332 7.360 -3.362 1.00 0.00 C ATOM 701 C ALA A 531 -2.513 8.504 -4.355 1.00 0.00 C ATOM 702 O ALA A 531 -2.291 9.668 -4.022 1.00 0.00 O ATOM 703 CB ALA A 531 -1.322 6.353 -3.917 1.00 0.00 C ATOM 0 H ALA A 531 -3.604 5.692 -3.290 1.00 0.00 H new ATOM 0 HA ALA A 531 -1.960 7.769 -2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 531 -0.374 6.856 -4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 531 -1.170 5.553 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 531 -1.702 5.932 -4.848 1.00 0.00 H new ATOM 709 N HIS A 532 -2.912 8.164 -5.578 1.00 0.00 N ATOM 710 CA HIS A 532 -3.115 9.170 -6.616 1.00 0.00 C ATOM 711 C HIS A 532 -3.905 10.359 -6.078 1.00 0.00 C ATOM 712 O HIS A 532 -3.753 11.483 -6.556 1.00 0.00 O ATOM 713 CB HIS A 532 -3.862 8.554 -7.800 1.00 0.00 C ATOM 714 CG HIS A 532 -4.015 9.585 -8.885 1.00 0.00 C ATOM 715 ND1 HIS A 532 -5.187 9.724 -9.614 1.00 0.00 N ATOM 716 CD2 HIS A 532 -3.153 10.534 -9.376 1.00 0.00 C ATOM 717 CE1 HIS A 532 -5.000 10.724 -10.494 1.00 0.00 C ATOM 718 NE2 HIS A 532 -3.776 11.252 -10.391 1.00 0.00 N ATOM 0 H HIS A 532 -3.100 7.206 -5.873 1.00 0.00 H new ATOM 0 HA HIS A 532 -2.137 9.523 -6.943 1.00 0.00 H new ATOM 0 HB2 HIS A 532 -3.316 7.690 -8.179 1.00 0.00 H new ATOM 0 HB3 HIS A 532 -4.841 8.198 -7.481 1.00 0.00 H new ATOM 0 HD2 HIS A 532 -2.144 10.698 -9.027 1.00 0.00 H new ATOM 0 HE1 HIS A 532 -5.747 11.059 -11.198 1.00 0.00 H new ATOM 0 HE2 HIS A 532 -3.383 12.017 -10.939 1.00 0.00 H new ATOM 726 N VAL A 533 -4.752 10.105 -5.087 1.00 0.00 N ATOM 727 CA VAL A 533 -5.563 11.166 -4.496 1.00 0.00 C ATOM 728 C VAL A 533 -4.756 11.948 -3.465 1.00 0.00 C ATOM 729 O VAL A 533 -4.413 13.111 -3.682 1.00 0.00 O ATOM 730 CB VAL A 533 -6.799 10.563 -3.828 1.00 0.00 C ATOM 731 CG1 VAL A 533 -7.617 11.677 -3.172 1.00 0.00 C ATOM 732 CG2 VAL A 533 -7.653 9.850 -4.882 1.00 0.00 C ATOM 0 H VAL A 533 -4.895 9.182 -4.678 1.00 0.00 H new ATOM 0 HA VAL A 533 -5.872 11.847 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 533 -6.489 9.845 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 533 -8.499 11.249 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 533 -7.008 12.182 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 533 -7.928 12.395 -3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 533 -8.534 9.420 -4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 533 -7.964 10.566 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 533 -7.069 9.056 -5.348 1.00 0.00 H new ATOM 742 N PHE A 534 -4.460 11.303 -2.343 1.00 0.00 N ATOM 743 CA PHE A 534 -3.696 11.944 -1.279 1.00 0.00 C ATOM 744 C PHE A 534 -2.302 12.330 -1.773 1.00 0.00 C ATOM 745 O PHE A 534 -1.497 12.874 -1.017 1.00 0.00 O ATOM 746 CB PHE A 534 -3.582 10.997 -0.074 1.00 0.00 C ATOM 747 CG PHE A 534 -4.575 11.401 0.993 1.00 0.00 C ATOM 748 CD1 PHE A 534 -5.941 11.152 0.810 1.00 0.00 C ATOM 749 CD2 PHE A 534 -4.130 12.024 2.166 1.00 0.00 C ATOM 750 CE1 PHE A 534 -6.859 11.525 1.798 1.00 0.00 C ATOM 751 CE2 PHE A 534 -5.049 12.398 3.153 1.00 0.00 C ATOM 752 CZ PHE A 534 -6.413 12.148 2.968 1.00 0.00 C ATOM 0 H PHE A 534 -4.736 10.341 -2.146 1.00 0.00 H new ATOM 0 HA PHE A 534 -4.218 12.851 -0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 534 -3.770 9.970 -0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 534 -2.570 11.027 0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 534 -6.286 10.672 -0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 534 -3.077 12.216 2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 534 -7.912 11.332 1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 534 -4.705 12.879 4.057 1.00 0.00 H new ATOM 0 HZ PHE A 534 -7.122 12.436 3.730 1.00 0.00 H new ATOM 762 N VAL A 535 -2.021 12.045 -3.040 1.00 0.00 N ATOM 763 CA VAL A 535 -0.717 12.370 -3.610 1.00 0.00 C ATOM 764 C VAL A 535 -0.352 13.819 -3.311 1.00 0.00 C ATOM 765 O VAL A 535 0.826 14.170 -3.239 1.00 0.00 O ATOM 766 CB VAL A 535 -0.736 12.151 -5.125 1.00 0.00 C ATOM 767 CG1 VAL A 535 -1.713 13.133 -5.771 1.00 0.00 C ATOM 768 CG2 VAL A 535 0.668 12.386 -5.689 1.00 0.00 C ATOM 0 H VAL A 535 -2.670 11.595 -3.686 1.00 0.00 H new ATOM 0 HA VAL A 535 0.029 11.715 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 535 -1.051 11.130 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 535 -1.726 12.977 -6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 535 -2.713 12.970 -5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 535 -1.398 14.154 -5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 535 0.657 12.231 -6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 535 0.981 13.407 -5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 535 1.367 11.687 -5.229 1.00 0.00 H new ATOM 778 N GLY A 536 -1.369 14.657 -3.138 1.00 0.00 N ATOM 779 CA GLY A 536 -1.142 16.068 -2.844 1.00 0.00 C ATOM 780 C GLY A 536 -0.866 16.274 -1.359 1.00 0.00 C ATOM 781 O GLY A 536 0.030 17.030 -0.982 1.00 0.00 O ATOM 0 H GLY A 536 -2.351 14.387 -3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 536 -0.299 16.435 -3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -2.014 16.651 -3.141 1.00 0.00 H new ATOM 785 N THR A 537 -1.642 15.594 -0.520 1.00 0.00 N ATOM 786 CA THR A 537 -1.477 15.702 0.926 1.00 0.00 C ATOM 787 C THR A 537 -0.565 14.595 1.443 1.00 0.00 C ATOM 788 O THR A 537 -0.119 13.738 0.680 1.00 0.00 O ATOM 789 CB THR A 537 -2.839 15.606 1.615 1.00 0.00 C ATOM 790 OG1 THR A 537 -3.471 14.389 1.242 1.00 0.00 O ATOM 791 CG2 THR A 537 -3.711 16.787 1.192 1.00 0.00 C ATOM 0 H THR A 537 -2.389 14.965 -0.815 1.00 0.00 H new ATOM 0 HA THR A 537 -1.023 16.667 1.151 1.00 0.00 H new ATOM 0 HB THR A 537 -2.703 15.628 2.696 1.00 0.00 H new ATOM 0 HG1 THR A 537 -3.606 13.833 2.038 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.681 16.717 1.684 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.225 17.719 1.479 1.00 0.00 H new ATOM 0 HG23 THR A 537 -3.850 16.768 0.111 1.00 0.00 H new ATOM 799 N CYS A 538 -0.293 14.618 2.745 1.00 0.00 N ATOM 800 CA CYS A 538 0.569 13.609 3.356 1.00 0.00 C ATOM 801 C CYS A 538 0.043 13.217 4.733 1.00 0.00 C ATOM 802 O CYS A 538 -0.174 14.071 5.593 1.00 0.00 O ATOM 803 CB CYS A 538 1.994 14.152 3.488 1.00 0.00 C ATOM 804 SG CYS A 538 1.975 15.660 4.488 1.00 0.00 S ATOM 0 H CYS A 538 -0.653 15.318 3.393 1.00 0.00 H new ATOM 0 HA CYS A 538 0.573 12.726 2.717 1.00 0.00 H new ATOM 0 HB2 CYS A 538 2.638 13.404 3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 538 2.407 14.362 2.502 1.00 0.00 H new ATOM 0 HG CYS A 538 1.085 15.546 5.429 1.00 0.00 H new ATOM 810 N ASN A 539 -0.159 11.918 4.935 1.00 0.00 N ATOM 811 CA ASN A 539 -0.661 11.417 6.212 1.00 0.00 C ATOM 812 C ASN A 539 -0.083 10.036 6.507 1.00 0.00 C ATOM 813 O ASN A 539 0.212 9.268 5.591 1.00 0.00 O ATOM 814 CB ASN A 539 -2.191 11.341 6.179 1.00 0.00 C ATOM 815 CG ASN A 539 -2.748 11.331 7.599 1.00 0.00 C ATOM 816 OD1 ASN A 539 -3.283 10.319 8.051 1.00 0.00 O ATOM 817 ND2 ASN A 539 -2.654 12.406 8.334 1.00 0.00 N ATOM 0 H ASN A 539 0.016 11.196 4.236 1.00 0.00 H new ATOM 0 HA ASN A 539 -0.351 12.103 7.000 1.00 0.00 H new ATOM 0 HB2 ASN A 539 -2.593 12.192 5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 539 -2.507 10.442 5.650 1.00 0.00 H new ATOM 0 HD21 ASN A 539 -3.024 12.408 9.284 1.00 0.00 H new ATOM 0 HD22 ASN A 539 -2.210 13.244 7.958 1.00 0.00 H new ATOM 824 N GLY A 540 0.077 9.727 7.790 1.00 0.00 N ATOM 825 CA GLY A 540 0.623 8.436 8.193 1.00 0.00 C ATOM 826 C GLY A 540 -0.434 7.340 8.105 1.00 0.00 C ATOM 827 O GLY A 540 -0.125 6.191 7.789 1.00 0.00 O ATOM 0 H GLY A 540 -0.162 10.348 8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 540 1.469 8.181 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 540 1.000 8.500 9.214 1.00 0.00 H new ATOM 831 N ASP A 541 -1.681 7.702 8.386 1.00 0.00 N ATOM 832 CA ASP A 541 -2.778 6.739 8.338 1.00 0.00 C ATOM 833 C ASP A 541 -2.658 5.843 7.108 1.00 0.00 C ATOM 834 O ASP A 541 -2.838 4.628 7.193 1.00 0.00 O ATOM 835 CB ASP A 541 -4.117 7.477 8.303 1.00 0.00 C ATOM 836 CG ASP A 541 -4.331 8.230 9.612 1.00 0.00 C ATOM 837 OD1 ASP A 541 -3.383 8.832 10.088 1.00 0.00 O ATOM 838 OD2 ASP A 541 -5.440 8.194 10.118 1.00 0.00 O ATOM 0 H ASP A 541 -1.958 8.648 8.648 1.00 0.00 H new ATOM 0 HA ASP A 541 -2.727 6.116 9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 541 -4.136 8.174 7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 541 -4.929 6.767 8.145 1.00 0.00 H new ATOM 843 N ILE A 542 -2.353 6.450 5.967 1.00 0.00 N ATOM 844 CA ILE A 542 -2.214 5.697 4.726 1.00 0.00 C ATOM 845 C ILE A 542 -1.069 4.695 4.830 1.00 0.00 C ATOM 846 O ILE A 542 -1.259 3.496 4.625 1.00 0.00 O ATOM 847 CB ILE A 542 -1.954 6.654 3.562 1.00 0.00 C ATOM 848 CG1 ILE A 542 -3.154 7.589 3.395 1.00 0.00 C ATOM 849 CG2 ILE A 542 -1.750 5.853 2.277 1.00 0.00 C ATOM 850 CD1 ILE A 542 -2.786 8.727 2.443 1.00 0.00 C ATOM 0 H ILE A 542 -2.198 7.454 5.875 1.00 0.00 H new ATOM 0 HA ILE A 542 -3.141 5.152 4.549 1.00 0.00 H new ATOM 0 HB ILE A 542 -1.059 7.242 3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 542 -4.008 7.036 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 542 -3.452 7.992 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 542 -1.565 6.536 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 542 -0.896 5.186 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 542 -2.644 5.264 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 542 -3.641 9.393 2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 542 -1.945 9.286 2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 542 -2.510 8.315 1.473 1.00 0.00 H new ATOM 862 N THR A 543 0.122 5.195 5.144 1.00 0.00 N ATOM 863 CA THR A 543 1.293 4.336 5.271 1.00 0.00 C ATOM 864 C THR A 543 1.020 3.187 6.237 1.00 0.00 C ATOM 865 O THR A 543 1.548 2.087 6.075 1.00 0.00 O ATOM 866 CB THR A 543 2.486 5.152 5.773 1.00 0.00 C ATOM 867 OG1 THR A 543 2.662 6.292 4.944 1.00 0.00 O ATOM 868 CG2 THR A 543 3.749 4.290 5.735 1.00 0.00 C ATOM 0 H THR A 543 0.301 6.185 5.314 1.00 0.00 H new ATOM 0 HA THR A 543 1.520 3.921 4.289 1.00 0.00 H new ATOM 0 HB THR A 543 2.300 5.474 6.798 1.00 0.00 H new ATOM 0 HG1 THR A 543 3.425 6.816 5.266 1.00 0.00 H new ATOM 0 HG21 THR A 543 4.598 4.873 6.093 1.00 0.00 H new ATOM 0 HG22 THR A 543 3.613 3.417 6.373 1.00 0.00 H new ATOM 0 HG23 THR A 543 3.937 3.965 4.712 1.00 0.00 H new ATOM 876 N THR A 544 0.195 3.451 7.245 1.00 0.00 N ATOM 877 CA THR A 544 -0.137 2.433 8.235 1.00 0.00 C ATOM 878 C THR A 544 -0.808 1.232 7.574 1.00 0.00 C ATOM 879 O THR A 544 -0.410 0.088 7.797 1.00 0.00 O ATOM 880 CB THR A 544 -1.069 3.020 9.299 1.00 0.00 C ATOM 881 OG1 THR A 544 -0.528 4.246 9.773 1.00 0.00 O ATOM 882 CG2 THR A 544 -1.207 2.036 10.462 1.00 0.00 C ATOM 0 H THR A 544 -0.253 4.355 7.397 1.00 0.00 H new ATOM 0 HA THR A 544 0.788 2.101 8.705 1.00 0.00 H new ATOM 0 HB THR A 544 -2.052 3.199 8.863 1.00 0.00 H new ATOM 0 HG1 THR A 544 -0.565 4.917 9.060 1.00 0.00 H new ATOM 0 HG21 THR A 544 -1.871 2.456 11.218 1.00 0.00 H new ATOM 0 HG22 THR A 544 -1.622 1.097 10.097 1.00 0.00 H new ATOM 0 HG23 THR A 544 -0.227 1.853 10.902 1.00 0.00 H new ATOM 890 N SER A 545 -1.826 1.497 6.761 1.00 0.00 N ATOM 891 CA SER A 545 -2.539 0.424 6.077 1.00 0.00 C ATOM 892 C SER A 545 -1.632 -0.249 5.052 1.00 0.00 C ATOM 893 O SER A 545 -1.473 -1.470 5.052 1.00 0.00 O ATOM 894 CB SER A 545 -3.781 0.985 5.379 1.00 0.00 C ATOM 895 OG SER A 545 -4.833 0.032 5.454 1.00 0.00 O ATOM 0 H SER A 545 -2.173 2.435 6.561 1.00 0.00 H new ATOM 0 HA SER A 545 -2.844 -0.317 6.816 1.00 0.00 H new ATOM 0 HB2 SER A 545 -4.087 1.919 5.851 1.00 0.00 H new ATOM 0 HB3 SER A 545 -3.555 1.213 4.337 1.00 0.00 H new ATOM 0 HG SER A 545 -5.680 0.493 5.631 1.00 0.00 H new ATOM 901 N ILE A 546 -1.044 0.560 4.180 1.00 0.00 N ATOM 902 CA ILE A 546 -0.154 0.047 3.147 1.00 0.00 C ATOM 903 C ILE A 546 0.936 -0.831 3.764 1.00 0.00 C ATOM 904 O ILE A 546 1.160 -1.957 3.324 1.00 0.00 O ATOM 905 CB ILE A 546 0.465 1.230 2.377 1.00 0.00 C ATOM 906 CG1 ILE A 546 -0.275 1.422 1.049 1.00 0.00 C ATOM 907 CG2 ILE A 546 1.951 0.980 2.091 1.00 0.00 C ATOM 908 CD1 ILE A 546 0.133 2.757 0.424 1.00 0.00 C ATOM 0 H ILE A 546 -1.167 1.572 4.167 1.00 0.00 H new ATOM 0 HA ILE A 546 -0.724 -0.571 2.453 1.00 0.00 H new ATOM 0 HB ILE A 546 0.371 2.125 2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 546 -0.041 0.603 0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 546 -1.352 1.400 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 546 2.365 1.829 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 546 2.487 0.856 3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 546 2.059 0.077 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 546 -0.394 2.893 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 546 -0.124 3.570 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 546 1.208 2.761 0.244 1.00 0.00 H new ATOM 920 N MET A 547 1.615 -0.304 4.778 1.00 0.00 N ATOM 921 CA MET A 547 2.685 -1.048 5.435 1.00 0.00 C ATOM 922 C MET A 547 2.145 -2.310 6.106 1.00 0.00 C ATOM 923 O MET A 547 2.759 -3.374 6.029 1.00 0.00 O ATOM 924 CB MET A 547 3.373 -0.163 6.482 1.00 0.00 C ATOM 925 CG MET A 547 4.753 -0.739 6.826 1.00 0.00 C ATOM 926 SD MET A 547 6.019 0.072 5.811 1.00 0.00 S ATOM 927 CE MET A 547 6.523 -1.376 4.849 1.00 0.00 C ATOM 0 H MET A 547 1.446 0.626 5.160 1.00 0.00 H new ATOM 0 HA MET A 547 3.408 -1.343 4.674 1.00 0.00 H new ATOM 0 HB2 MET A 547 3.478 0.853 6.100 1.00 0.00 H new ATOM 0 HB3 MET A 547 2.759 -0.104 7.381 1.00 0.00 H new ATOM 0 HG2 MET A 547 4.968 -0.588 7.884 1.00 0.00 H new ATOM 0 HG3 MET A 547 4.764 -1.814 6.649 1.00 0.00 H new ATOM 0 HE1 MET A 547 7.284 -1.085 4.125 1.00 0.00 H new ATOM 0 HE2 MET A 547 6.930 -2.134 5.518 1.00 0.00 H new ATOM 0 HE3 MET A 547 5.659 -1.782 4.323 1.00 0.00 H new ATOM 937 N ASP A 548 0.999 -2.185 6.766 1.00 0.00 N ATOM 938 CA ASP A 548 0.397 -3.326 7.450 1.00 0.00 C ATOM 939 C ASP A 548 0.392 -4.562 6.554 1.00 0.00 C ATOM 940 O ASP A 548 1.009 -5.577 6.878 1.00 0.00 O ATOM 941 CB ASP A 548 -1.039 -2.990 7.858 1.00 0.00 C ATOM 942 CG ASP A 548 -1.629 -4.133 8.677 1.00 0.00 C ATOM 943 OD1 ASP A 548 -1.566 -5.261 8.213 1.00 0.00 O ATOM 944 OD2 ASP A 548 -2.133 -3.867 9.754 1.00 0.00 O ATOM 0 H ASP A 548 0.472 -1.315 6.842 1.00 0.00 H new ATOM 0 HA ASP A 548 0.993 -3.541 8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 548 -1.054 -2.069 8.440 1.00 0.00 H new ATOM 0 HB3 ASP A 548 -1.647 -2.816 6.970 1.00 0.00 H new ATOM 949 N ASN A 549 -0.312 -4.470 5.431 1.00 0.00 N ATOM 950 CA ASN A 549 -0.397 -5.590 4.499 1.00 0.00 C ATOM 951 C ASN A 549 0.978 -5.929 3.931 1.00 0.00 C ATOM 952 O ASN A 549 1.296 -7.098 3.709 1.00 0.00 O ATOM 953 CB ASN A 549 -1.353 -5.243 3.357 1.00 0.00 C ATOM 954 CG ASN A 549 -1.494 -6.435 2.416 1.00 0.00 C ATOM 955 OD1 ASN A 549 -0.701 -6.592 1.487 1.00 0.00 O ATOM 956 ND2 ASN A 549 -2.462 -7.290 2.602 1.00 0.00 N ATOM 0 H ASN A 549 -0.829 -3.638 5.145 1.00 0.00 H new ATOM 0 HA ASN A 549 -0.773 -6.459 5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 549 -2.328 -4.969 3.759 1.00 0.00 H new ATOM 0 HB3 ASN A 549 -0.979 -4.378 2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 549 -2.563 -8.090 1.977 1.00 0.00 H new ATOM 0 HD22 ASN A 549 -3.118 -7.158 3.372 1.00 0.00 H new ATOM 963 N PHE A 550 1.787 -4.904 3.693 1.00 0.00 N ATOM 964 CA PHE A 550 3.123 -5.110 3.146 1.00 0.00 C ATOM 965 C PHE A 550 3.862 -6.196 3.925 1.00 0.00 C ATOM 966 O PHE A 550 4.560 -7.025 3.344 1.00 0.00 O ATOM 967 CB PHE A 550 3.915 -3.800 3.201 1.00 0.00 C ATOM 968 CG PHE A 550 4.938 -3.774 2.088 1.00 0.00 C ATOM 969 CD1 PHE A 550 6.074 -4.586 2.163 1.00 0.00 C ATOM 970 CD2 PHE A 550 4.746 -2.937 0.982 1.00 0.00 C ATOM 971 CE1 PHE A 550 7.021 -4.562 1.132 1.00 0.00 C ATOM 972 CE2 PHE A 550 5.692 -2.912 -0.049 1.00 0.00 C ATOM 973 CZ PHE A 550 6.829 -3.724 0.025 1.00 0.00 C ATOM 0 H PHE A 550 1.544 -3.929 3.868 1.00 0.00 H new ATOM 0 HA PHE A 550 3.028 -5.431 2.109 1.00 0.00 H new ATOM 0 HB2 PHE A 550 3.238 -2.951 3.106 1.00 0.00 H new ATOM 0 HB3 PHE A 550 4.412 -3.705 4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 550 6.221 -5.232 3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 550 3.868 -2.311 0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 550 7.899 -5.189 1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 550 5.544 -2.266 -0.902 1.00 0.00 H new ATOM 0 HZ PHE A 550 7.559 -3.705 -0.771 1.00 0.00 H new ATOM 983 N LEU A 551 3.701 -6.184 5.245 1.00 0.00 N ATOM 984 CA LEU A 551 4.357 -7.173 6.096 1.00 0.00 C ATOM 985 C LEU A 551 3.656 -8.524 5.983 1.00 0.00 C ATOM 986 O LEU A 551 4.271 -9.523 5.607 1.00 0.00 O ATOM 987 CB LEU A 551 4.337 -6.700 7.555 1.00 0.00 C ATOM 988 CG LEU A 551 5.592 -5.875 7.853 1.00 0.00 C ATOM 989 CD1 LEU A 551 5.648 -4.665 6.920 1.00 0.00 C ATOM 990 CD2 LEU A 551 5.547 -5.392 9.305 1.00 0.00 C ATOM 0 H LEU A 551 3.127 -5.506 5.746 1.00 0.00 H new ATOM 0 HA LEU A 551 5.390 -7.286 5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 551 3.445 -6.101 7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 551 4.289 -7.559 8.224 1.00 0.00 H new ATOM 0 HG LEU A 551 6.476 -6.493 7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 551 6.543 -4.081 7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 551 5.677 -5.005 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 551 4.764 -4.046 7.074 1.00 0.00 H new ATOM 0 HD21 LEU A 551 6.439 -4.804 9.521 1.00 0.00 H new ATOM 0 HD22 LEU A 551 4.661 -4.775 9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 551 5.509 -6.252 9.974 1.00 0.00 H new ATOM 1002 N GLU A 552 2.369 -8.551 6.315 1.00 0.00 N ATOM 1003 CA GLU A 552 1.601 -9.790 6.249 1.00 0.00 C ATOM 1004 C GLU A 552 1.885 -10.526 4.944 1.00 0.00 C ATOM 1005 O GLU A 552 2.291 -11.688 4.952 1.00 0.00 O ATOM 1006 CB GLU A 552 0.105 -9.483 6.350 1.00 0.00 C ATOM 1007 CG GLU A 552 -0.690 -10.788 6.284 1.00 0.00 C ATOM 1008 CD GLU A 552 -2.129 -10.547 6.727 1.00 0.00 C ATOM 1009 OE1 GLU A 552 -2.361 -9.568 7.417 1.00 0.00 O ATOM 1010 OE2 GLU A 552 -2.980 -11.346 6.370 1.00 0.00 O ATOM 0 H GLU A 552 1.840 -7.738 6.630 1.00 0.00 H new ATOM 0 HA GLU A 552 1.898 -10.425 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 552 -0.108 -8.962 7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 552 -0.196 -8.820 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 552 -0.675 -11.181 5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 552 -0.225 -11.539 6.923 1.00 0.00 H new ATOM 1017 N ARG A 553 1.675 -9.836 3.826 1.00 0.00 N ATOM 1018 CA ARG A 553 1.914 -10.424 2.511 1.00 0.00 C ATOM 1019 C ARG A 553 1.540 -11.904 2.494 1.00 0.00 C ATOM 1020 O ARG A 553 2.352 -12.763 2.840 1.00 0.00 O ATOM 1021 CB ARG A 553 3.387 -10.263 2.131 1.00 0.00 C ATOM 1022 CG ARG A 553 3.584 -10.641 0.661 1.00 0.00 C ATOM 1023 CD ARG A 553 4.957 -10.160 0.191 1.00 0.00 C ATOM 1024 NE ARG A 553 6.012 -10.887 0.889 1.00 0.00 N ATOM 1025 CZ ARG A 553 7.289 -10.550 0.743 1.00 0.00 C ATOM 1026 NH1 ARG A 553 7.613 -9.508 0.028 1.00 0.00 N ATOM 1027 NH2 ARG A 553 8.221 -11.262 1.317 1.00 0.00 N ATOM 0 H ARG A 553 1.341 -8.872 3.804 1.00 0.00 H new ATOM 0 HA ARG A 553 1.288 -9.903 1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 553 3.705 -9.234 2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 553 4.008 -10.896 2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 553 3.503 -11.721 0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 553 2.801 -10.192 0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 553 5.054 -10.308 -0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 553 5.059 -9.091 0.376 1.00 0.00 H new ATOM 0 HE ARG A 553 5.765 -11.666 1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 553 6.886 -8.951 -0.420 1.00 0.00 H new ATOM 0 HH12 ARG A 553 8.594 -9.251 -0.083 1.00 0.00 H new ATOM 0 HH21 ARG A 553 7.969 -12.076 1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 553 9.201 -11.004 1.205 1.00 0.00 H new ATOM 1041 N THR A 554 0.309 -12.194 2.086 1.00 0.00 N ATOM 1042 CA THR A 554 -0.161 -13.574 2.024 1.00 0.00 C ATOM 1043 C THR A 554 0.578 -14.340 0.933 1.00 0.00 C ATOM 1044 O THR A 554 0.916 -13.778 -0.108 1.00 0.00 O ATOM 1045 CB THR A 554 -1.663 -13.602 1.740 1.00 0.00 C ATOM 1046 OG1 THR A 554 -1.945 -12.780 0.616 1.00 0.00 O ATOM 1047 CG2 THR A 554 -2.423 -13.081 2.959 1.00 0.00 C ATOM 0 H THR A 554 -0.377 -11.498 1.795 1.00 0.00 H new ATOM 0 HA THR A 554 0.035 -14.049 2.985 1.00 0.00 H new ATOM 0 HB THR A 554 -1.976 -14.625 1.530 1.00 0.00 H new ATOM 0 HG1 THR A 554 -2.907 -12.798 0.431 1.00 0.00 H new ATOM 0 HG21 THR A 554 -3.494 -13.101 2.756 1.00 0.00 H new ATOM 0 HG22 THR A 554 -2.205 -13.712 3.821 1.00 0.00 H new ATOM 0 HG23 THR A 554 -2.113 -12.058 3.171 1.00 0.00 H new ATOM 1055 N ALA A 555 0.816 -15.628 1.172 1.00 0.00 N ATOM 1056 CA ALA A 555 1.511 -16.462 0.194 1.00 0.00 C ATOM 1057 C ALA A 555 1.001 -16.149 -1.205 1.00 0.00 C ATOM 1058 O ALA A 555 1.677 -16.403 -2.201 1.00 0.00 O ATOM 1059 CB ALA A 555 1.281 -17.942 0.507 1.00 0.00 C ATOM 0 H ALA A 555 0.541 -16.113 2.026 1.00 0.00 H new ATOM 0 HA ALA A 555 2.579 -16.250 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 555 1.803 -18.555 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 555 1.662 -18.167 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 555 0.214 -18.160 0.469 1.00 0.00 H new ATOM 1065 N ILE A 556 -0.195 -15.579 -1.258 1.00 0.00 N ATOM 1066 CA ILE A 556 -0.814 -15.206 -2.521 1.00 0.00 C ATOM 1067 C ILE A 556 0.122 -14.282 -3.308 1.00 0.00 C ATOM 1068 O ILE A 556 -0.177 -13.889 -4.434 1.00 0.00 O ATOM 1069 CB ILE A 556 -2.163 -14.515 -2.218 1.00 0.00 C ATOM 1070 CG1 ILE A 556 -3.320 -15.454 -2.576 1.00 0.00 C ATOM 1071 CG2 ILE A 556 -2.313 -13.211 -3.007 1.00 0.00 C ATOM 1072 CD1 ILE A 556 -4.599 -14.968 -1.893 1.00 0.00 C ATOM 0 H ILE A 556 -0.758 -15.364 -0.435 1.00 0.00 H new ATOM 0 HA ILE A 556 -0.996 -16.089 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.185 -14.280 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -3.460 -15.481 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -3.089 -16.471 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -3.272 -12.751 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -1.507 -12.528 -2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -2.266 -13.424 -4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -5.423 -15.635 -2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -4.455 -14.963 -0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -4.832 -13.959 -2.232 1.00 0.00 H new ATOM 1084 N GLU A 557 1.253 -13.940 -2.699 1.00 0.00 N ATOM 1085 CA GLU A 557 2.224 -13.059 -3.342 1.00 0.00 C ATOM 1086 C GLU A 557 2.908 -13.752 -4.521 1.00 0.00 C ATOM 1087 O GLU A 557 3.522 -13.095 -5.361 1.00 0.00 O ATOM 1088 CB GLU A 557 3.284 -12.619 -2.328 1.00 0.00 C ATOM 1089 CG GLU A 557 3.734 -13.823 -1.488 1.00 0.00 C ATOM 1090 CD GLU A 557 5.201 -13.677 -1.096 1.00 0.00 C ATOM 1091 OE1 GLU A 557 5.709 -12.570 -1.175 1.00 0.00 O ATOM 1092 OE2 GLU A 557 5.797 -14.674 -0.723 1.00 0.00 O ATOM 0 H GLU A 557 1.520 -14.257 -1.767 1.00 0.00 H new ATOM 0 HA GLU A 557 1.687 -12.188 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 557 4.139 -12.187 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 557 2.879 -11.843 -1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 557 3.117 -13.901 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 557 3.592 -14.743 -2.054 1.00 0.00 H new ATOM 1099 N LEU A 558 2.810 -15.078 -4.576 1.00 0.00 N ATOM 1100 CA LEU A 558 3.439 -15.829 -5.660 1.00 0.00 C ATOM 1101 C LEU A 558 3.104 -15.214 -7.018 1.00 0.00 C ATOM 1102 O LEU A 558 3.669 -15.603 -8.041 1.00 0.00 O ATOM 1103 CB LEU A 558 2.997 -17.300 -5.620 1.00 0.00 C ATOM 1104 CG LEU A 558 1.582 -17.455 -6.192 1.00 0.00 C ATOM 1105 CD1 LEU A 558 1.142 -18.913 -6.057 1.00 0.00 C ATOM 1106 CD2 LEU A 558 0.613 -16.557 -5.419 1.00 0.00 C ATOM 0 H LEU A 558 2.309 -15.648 -3.894 1.00 0.00 H new ATOM 0 HA LEU A 558 4.519 -15.782 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 558 3.695 -17.911 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 558 3.022 -17.665 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 558 1.580 -17.166 -7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 558 0.137 -19.029 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 558 1.831 -19.553 -6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 558 1.144 -19.198 -5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -0.391 -16.669 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 558 0.611 -16.844 -4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 558 0.928 -15.518 -5.511 1.00 0.00 H new ATOM 1118 N LYS A 559 2.186 -14.252 -7.021 1.00 0.00 N ATOM 1119 CA LYS A 559 1.785 -13.589 -8.258 1.00 0.00 C ATOM 1120 C LYS A 559 2.605 -12.317 -8.467 1.00 0.00 C ATOM 1121 O LYS A 559 2.581 -11.410 -7.636 1.00 0.00 O ATOM 1122 CB LYS A 559 0.289 -13.245 -8.204 1.00 0.00 C ATOM 1123 CG LYS A 559 -0.363 -13.540 -9.558 1.00 0.00 C ATOM 1124 CD LYS A 559 -1.782 -12.964 -9.580 1.00 0.00 C ATOM 1125 CE LYS A 559 -2.582 -13.615 -10.712 1.00 0.00 C ATOM 1126 NZ LYS A 559 -3.014 -14.979 -10.295 1.00 0.00 N ATOM 0 H LYS A 559 1.708 -13.915 -6.185 1.00 0.00 H new ATOM 0 HA LYS A 559 1.967 -14.264 -9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 559 -0.199 -13.826 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 559 0.158 -12.193 -7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 559 0.230 -13.104 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 559 -0.393 -14.616 -9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 559 -2.273 -13.144 -8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 559 -1.745 -11.884 -9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 559 -3.452 -13.005 -10.954 1.00 0.00 H new ATOM 0 HE3 LYS A 559 -1.973 -13.675 -11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 -3.780 -15.306 -10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 -2.209 -15.634 -10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 -3.355 -14.950 -9.313 1.00 0.00 H new ATOM 1140 N THR A 560 3.333 -12.263 -9.577 1.00 0.00 N ATOM 1141 CA THR A 560 4.161 -11.101 -9.882 1.00 0.00 C ATOM 1142 C THR A 560 3.329 -9.993 -10.519 1.00 0.00 C ATOM 1143 O THR A 560 2.100 -10.061 -10.538 1.00 0.00 O ATOM 1144 CB THR A 560 5.290 -11.504 -10.835 1.00 0.00 C ATOM 1145 OG1 THR A 560 6.048 -10.352 -11.179 1.00 0.00 O ATOM 1146 CG2 THR A 560 4.695 -12.124 -12.101 1.00 0.00 C ATOM 0 H THR A 560 3.367 -13.005 -10.276 1.00 0.00 H new ATOM 0 HA THR A 560 4.583 -10.727 -8.949 1.00 0.00 H new ATOM 0 HB THR A 560 5.937 -12.233 -10.347 1.00 0.00 H new ATOM 0 HG1 THR A 560 6.773 -10.607 -11.788 1.00 0.00 H new ATOM 0 HG21 THR A 560 5.499 -12.410 -12.779 1.00 0.00 H new ATOM 0 HG22 THR A 560 4.113 -13.006 -11.835 1.00 0.00 H new ATOM 0 HG23 THR A 560 4.048 -11.397 -12.593 1.00 0.00 H new ATOM 1154 N ASP A 561 4.012 -8.975 -11.039 1.00 0.00 N ATOM 1155 CA ASP A 561 3.341 -7.846 -11.681 1.00 0.00 C ATOM 1156 C ASP A 561 2.916 -6.807 -10.646 1.00 0.00 C ATOM 1157 O ASP A 561 3.408 -5.678 -10.650 1.00 0.00 O ATOM 1158 CB ASP A 561 2.114 -8.330 -12.465 1.00 0.00 C ATOM 1159 CG ASP A 561 1.833 -7.392 -13.636 1.00 0.00 C ATOM 1160 OD1 ASP A 561 2.016 -6.197 -13.469 1.00 0.00 O ATOM 1161 OD2 ASP A 561 1.440 -7.884 -14.680 1.00 0.00 O ATOM 0 H ASP A 561 5.030 -8.909 -11.028 1.00 0.00 H new ATOM 0 HA ASP A 561 4.046 -7.382 -12.371 1.00 0.00 H new ATOM 0 HB2 ASP A 561 2.284 -9.342 -12.833 1.00 0.00 H new ATOM 0 HB3 ASP A 561 1.246 -8.372 -11.807 1.00 0.00 H new ATOM 1166 N TRP A 562 1.998 -7.190 -9.765 1.00 0.00 N ATOM 1167 CA TRP A 562 1.513 -6.277 -8.736 1.00 0.00 C ATOM 1168 C TRP A 562 2.680 -5.612 -8.007 1.00 0.00 C ATOM 1169 O TRP A 562 2.583 -4.462 -7.579 1.00 0.00 O ATOM 1170 CB TRP A 562 0.637 -7.034 -7.732 1.00 0.00 C ATOM 1171 CG TRP A 562 1.499 -7.839 -6.811 1.00 0.00 C ATOM 1172 CD1 TRP A 562 2.367 -8.800 -7.200 1.00 0.00 C ATOM 1173 CD2 TRP A 562 1.591 -7.768 -5.359 1.00 0.00 C ATOM 1174 NE1 TRP A 562 2.986 -9.324 -6.079 1.00 0.00 N ATOM 1175 CE2 TRP A 562 2.540 -8.720 -4.920 1.00 0.00 C ATOM 1176 CE3 TRP A 562 0.948 -6.977 -4.389 1.00 0.00 C ATOM 1177 CZ2 TRP A 562 2.842 -8.884 -3.568 1.00 0.00 C ATOM 1178 CZ3 TRP A 562 1.249 -7.139 -3.027 1.00 0.00 C ATOM 1179 CH2 TRP A 562 2.194 -8.091 -2.617 1.00 0.00 C ATOM 0 H TRP A 562 1.577 -8.119 -9.742 1.00 0.00 H new ATOM 0 HA TRP A 562 0.919 -5.501 -9.219 1.00 0.00 H new ATOM 0 HB2 TRP A 562 0.035 -6.330 -7.158 1.00 0.00 H new ATOM 0 HB3 TRP A 562 -0.056 -7.689 -8.261 1.00 0.00 H new ATOM 0 HD1 TRP A 562 2.548 -9.108 -8.219 1.00 0.00 H new ATOM 0 HE1 TRP A 562 3.686 -10.065 -6.105 1.00 0.00 H new ATOM 0 HE3 TRP A 562 0.219 -6.241 -4.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 562 3.571 -9.618 -3.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 562 0.750 -6.527 -2.291 1.00 0.00 H new ATOM 0 HH2 TRP A 562 2.421 -8.211 -1.568 1.00 0.00 H new ATOM 1190 N VAL A 563 3.781 -6.345 -7.867 1.00 0.00 N ATOM 1191 CA VAL A 563 4.957 -5.817 -7.183 1.00 0.00 C ATOM 1192 C VAL A 563 5.438 -4.529 -7.846 1.00 0.00 C ATOM 1193 O VAL A 563 6.129 -3.723 -7.225 1.00 0.00 O ATOM 1194 CB VAL A 563 6.082 -6.852 -7.206 1.00 0.00 C ATOM 1195 CG1 VAL A 563 6.501 -7.120 -8.653 1.00 0.00 C ATOM 1196 CG2 VAL A 563 7.282 -6.318 -6.420 1.00 0.00 C ATOM 0 H VAL A 563 3.883 -7.298 -8.215 1.00 0.00 H new ATOM 0 HA VAL A 563 4.682 -5.598 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 563 5.731 -7.779 -6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 563 7.303 -7.858 -8.669 1.00 0.00 H new ATOM 0 HG12 VAL A 563 5.647 -7.500 -9.215 1.00 0.00 H new ATOM 0 HG13 VAL A 563 6.851 -6.193 -9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 563 8.085 -7.055 -6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 563 7.632 -5.391 -6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 563 6.985 -6.127 -5.389 1.00 0.00 H new ATOM 1206 N ARG A 564 5.071 -4.345 -9.110 1.00 0.00 N ATOM 1207 CA ARG A 564 5.475 -3.151 -9.845 1.00 0.00 C ATOM 1208 C ARG A 564 4.756 -1.917 -9.307 1.00 0.00 C ATOM 1209 O ARG A 564 5.392 -0.938 -8.917 1.00 0.00 O ATOM 1210 CB ARG A 564 5.154 -3.322 -11.333 1.00 0.00 C ATOM 1211 CG ARG A 564 6.020 -4.443 -11.926 1.00 0.00 C ATOM 1212 CD ARG A 564 7.350 -3.867 -12.420 1.00 0.00 C ATOM 1213 NE ARG A 564 8.329 -4.936 -12.590 1.00 0.00 N ATOM 1214 CZ ARG A 564 9.478 -4.720 -13.223 1.00 0.00 C ATOM 1215 NH1 ARG A 564 9.762 -3.530 -13.675 1.00 0.00 N ATOM 1216 NH2 ARG A 564 10.322 -5.701 -13.393 1.00 0.00 N ATOM 0 H ARG A 564 4.500 -5.001 -9.643 1.00 0.00 H new ATOM 0 HA ARG A 564 6.549 -3.015 -9.716 1.00 0.00 H new ATOM 0 HB2 ARG A 564 4.098 -3.559 -11.462 1.00 0.00 H new ATOM 0 HB3 ARG A 564 5.338 -2.388 -11.864 1.00 0.00 H new ATOM 0 HG2 ARG A 564 6.203 -5.210 -11.173 1.00 0.00 H new ATOM 0 HG3 ARG A 564 5.493 -4.924 -12.750 1.00 0.00 H new ATOM 0 HD2 ARG A 564 7.201 -3.347 -13.366 1.00 0.00 H new ATOM 0 HD3 ARG A 564 7.723 -3.132 -11.707 1.00 0.00 H new ATOM 0 HE ARG A 564 8.128 -5.864 -12.217 1.00 0.00 H new ATOM 0 HH11 ARG A 564 9.102 -2.763 -13.543 1.00 0.00 H new ATOM 0 HH12 ARG A 564 10.644 -3.366 -14.160 1.00 0.00 H new ATOM 0 HH21 ARG A 564 10.100 -6.632 -13.040 1.00 0.00 H new ATOM 0 HH22 ARG A 564 11.204 -5.537 -13.878 1.00 0.00 H new ATOM 1230 N PHE A 565 3.429 -1.971 -9.292 1.00 0.00 N ATOM 1231 CA PHE A 565 2.634 -0.850 -8.801 1.00 0.00 C ATOM 1232 C PHE A 565 2.836 -0.661 -7.301 1.00 0.00 C ATOM 1233 O PHE A 565 2.788 0.460 -6.796 1.00 0.00 O ATOM 1234 CB PHE A 565 1.151 -1.097 -9.092 1.00 0.00 C ATOM 1235 CG PHE A 565 0.871 -0.839 -10.555 1.00 0.00 C ATOM 1236 CD1 PHE A 565 0.657 0.468 -11.005 1.00 0.00 C ATOM 1237 CD2 PHE A 565 0.826 -1.908 -11.458 1.00 0.00 C ATOM 1238 CE1 PHE A 565 0.397 0.708 -12.360 1.00 0.00 C ATOM 1239 CE2 PHE A 565 0.566 -1.668 -12.813 1.00 0.00 C ATOM 1240 CZ PHE A 565 0.351 -0.360 -13.264 1.00 0.00 C ATOM 0 H PHE A 565 2.884 -2.772 -9.611 1.00 0.00 H new ATOM 0 HA PHE A 565 2.961 0.054 -9.314 1.00 0.00 H new ATOM 0 HB2 PHE A 565 0.886 -2.123 -8.836 1.00 0.00 H new ATOM 0 HB3 PHE A 565 0.535 -0.445 -8.473 1.00 0.00 H new ATOM 0 HD1 PHE A 565 0.692 1.292 -10.308 1.00 0.00 H new ATOM 0 HD2 PHE A 565 0.992 -2.917 -11.110 1.00 0.00 H new ATOM 0 HE1 PHE A 565 0.232 1.717 -12.708 1.00 0.00 H new ATOM 0 HE2 PHE A 565 0.531 -2.492 -13.510 1.00 0.00 H new ATOM 0 HZ PHE A 565 0.150 -0.175 -14.309 1.00 0.00 H new ATOM 1250 N LEU A 566 3.059 -1.764 -6.593 1.00 0.00 N ATOM 1251 CA LEU A 566 3.264 -1.704 -5.150 1.00 0.00 C ATOM 1252 C LEU A 566 4.514 -0.894 -4.816 1.00 0.00 C ATOM 1253 O LEU A 566 4.590 -0.260 -3.764 1.00 0.00 O ATOM 1254 CB LEU A 566 3.403 -3.121 -4.583 1.00 0.00 C ATOM 1255 CG LEU A 566 3.254 -3.087 -3.055 1.00 0.00 C ATOM 1256 CD1 LEU A 566 1.770 -3.122 -2.672 1.00 0.00 C ATOM 1257 CD2 LEU A 566 3.957 -4.304 -2.448 1.00 0.00 C ATOM 0 H LEU A 566 3.102 -2.702 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 566 2.400 -1.215 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 566 2.644 -3.772 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 566 4.373 -3.537 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 566 3.704 -2.170 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 566 1.674 -3.098 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.263 -2.258 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 566 1.317 -4.036 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 566 3.852 -4.281 -1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 566 3.506 -5.217 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 566 5.015 -4.282 -2.711 1.00 0.00 H new ATOM 1269 N ALA A 567 5.490 -0.923 -5.718 1.00 0.00 N ATOM 1270 CA ALA A 567 6.732 -0.187 -5.505 1.00 0.00 C ATOM 1271 C ALA A 567 6.537 1.297 -5.799 1.00 0.00 C ATOM 1272 O ALA A 567 6.810 2.147 -4.952 1.00 0.00 O ATOM 1273 CB ALA A 567 7.831 -0.749 -6.410 1.00 0.00 C ATOM 0 H ALA A 567 5.447 -1.442 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 567 7.025 -0.301 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 567 8.756 -0.195 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 567 7.992 -1.801 -6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 567 7.529 -0.651 -7.453 1.00 0.00 H new ATOM 1279 N LEU A 568 6.062 1.600 -7.002 1.00 0.00 N ATOM 1280 CA LEU A 568 5.834 2.987 -7.395 1.00 0.00 C ATOM 1281 C LEU A 568 4.997 3.705 -6.339 1.00 0.00 C ATOM 1282 O LEU A 568 5.226 4.878 -6.045 1.00 0.00 O ATOM 1283 CB LEU A 568 5.109 3.038 -8.751 1.00 0.00 C ATOM 1284 CG LEU A 568 6.121 3.037 -9.910 1.00 0.00 C ATOM 1285 CD1 LEU A 568 6.745 4.433 -10.064 1.00 0.00 C ATOM 1286 CD2 LEU A 568 7.223 1.999 -9.650 1.00 0.00 C ATOM 0 H LEU A 568 5.829 0.911 -7.717 1.00 0.00 H new ATOM 0 HA LEU A 568 6.799 3.486 -7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 568 4.441 2.182 -8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 568 4.489 3.933 -8.804 1.00 0.00 H new ATOM 0 HG LEU A 568 5.599 2.776 -10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 568 7.460 4.423 -10.887 1.00 0.00 H new ATOM 0 HD12 LEU A 568 5.961 5.161 -10.273 1.00 0.00 H new ATOM 0 HD13 LEU A 568 7.257 4.706 -9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 568 7.933 2.007 -10.477 1.00 0.00 H new ATOM 0 HD22 LEU A 568 7.742 2.244 -8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 568 6.777 1.008 -9.565 1.00 0.00 H new ATOM 1298 N ALA A 569 4.027 2.993 -5.774 1.00 0.00 N ATOM 1299 CA ALA A 569 3.165 3.576 -4.753 1.00 0.00 C ATOM 1300 C ALA A 569 3.971 3.922 -3.505 1.00 0.00 C ATOM 1301 O ALA A 569 3.896 5.042 -2.999 1.00 0.00 O ATOM 1302 CB ALA A 569 2.049 2.596 -4.388 1.00 0.00 C ATOM 0 H ALA A 569 3.820 2.021 -6.003 1.00 0.00 H new ATOM 0 HA ALA A 569 2.727 4.490 -5.153 1.00 0.00 H new ATOM 0 HB1 ALA A 569 1.410 3.040 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 569 1.455 2.375 -5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 569 2.486 1.674 -4.004 1.00 0.00 H new ATOM 1308 N LEU A 570 4.740 2.956 -3.013 1.00 0.00 N ATOM 1309 CA LEU A 570 5.554 3.176 -1.823 1.00 0.00 C ATOM 1310 C LEU A 570 6.580 4.277 -2.076 1.00 0.00 C ATOM 1311 O LEU A 570 7.098 4.886 -1.139 1.00 0.00 O ATOM 1312 CB LEU A 570 6.272 1.878 -1.428 1.00 0.00 C ATOM 1313 CG LEU A 570 6.471 1.835 0.094 1.00 0.00 C ATOM 1314 CD1 LEU A 570 5.219 1.261 0.764 1.00 0.00 C ATOM 1315 CD2 LEU A 570 7.674 0.947 0.430 1.00 0.00 C ATOM 0 H LEU A 570 4.817 2.022 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 570 4.899 3.485 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 570 5.689 1.016 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 570 7.237 1.818 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 570 6.648 2.847 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 570 5.365 1.232 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 570 4.360 1.890 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 570 5.040 0.251 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 570 7.814 0.918 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 570 7.496 -0.062 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 570 8.569 1.354 -0.041 1.00 0.00 H new ATOM 1327 N GLY A 571 6.868 4.529 -3.350 1.00 0.00 N ATOM 1328 CA GLY A 571 7.831 5.561 -3.715 1.00 0.00 C ATOM 1329 C GLY A 571 7.169 6.933 -3.753 1.00 0.00 C ATOM 1330 O GLY A 571 7.640 7.879 -3.122 1.00 0.00 O ATOM 0 H GLY A 571 6.452 4.037 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 571 8.652 5.568 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 571 8.262 5.334 -4.690 1.00 0.00 H new ATOM 1334 N ILE A 572 6.071 7.033 -4.495 1.00 0.00 N ATOM 1335 CA ILE A 572 5.348 8.294 -4.606 1.00 0.00 C ATOM 1336 C ILE A 572 4.632 8.615 -3.299 1.00 0.00 C ATOM 1337 O ILE A 572 4.308 9.771 -3.024 1.00 0.00 O ATOM 1338 CB ILE A 572 4.327 8.215 -5.745 1.00 0.00 C ATOM 1339 CG1 ILE A 572 5.044 7.880 -7.064 1.00 0.00 C ATOM 1340 CG2 ILE A 572 3.597 9.556 -5.871 1.00 0.00 C ATOM 1341 CD1 ILE A 572 5.582 9.159 -7.718 1.00 0.00 C ATOM 0 H ILE A 572 5.665 6.262 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 572 6.066 9.086 -4.819 1.00 0.00 H new ATOM 0 HB ILE A 572 3.601 7.431 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 572 5.864 7.188 -6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 572 4.355 7.379 -7.743 1.00 0.00 H new ATOM 0 HG21 ILE A 572 2.870 9.500 -6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 572 3.082 9.779 -4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 572 4.319 10.344 -6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 572 6.087 8.906 -8.650 1.00 0.00 H new ATOM 0 HD12 ILE A 572 4.754 9.837 -7.926 1.00 0.00 H new ATOM 0 HD13 ILE A 572 6.288 9.644 -7.043 1.00 0.00 H new ATOM 1353 N LEU A 573 4.387 7.586 -2.495 1.00 0.00 N ATOM 1354 CA LEU A 573 3.707 7.771 -1.219 1.00 0.00 C ATOM 1355 C LEU A 573 4.372 8.889 -0.420 1.00 0.00 C ATOM 1356 O LEU A 573 3.733 9.883 -0.076 1.00 0.00 O ATOM 1357 CB LEU A 573 3.741 6.465 -0.416 1.00 0.00 C ATOM 1358 CG LEU A 573 3.238 6.707 1.012 1.00 0.00 C ATOM 1359 CD1 LEU A 573 1.894 7.442 0.974 1.00 0.00 C ATOM 1360 CD2 LEU A 573 3.059 5.359 1.718 1.00 0.00 C ATOM 0 H LEU A 573 4.647 6.622 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 573 2.670 8.047 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 573 3.122 5.713 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 573 4.758 6.072 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 573 3.964 7.315 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 573 1.543 7.611 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 573 2.017 8.400 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 573 1.165 6.839 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 573 2.701 5.525 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 573 2.334 4.756 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 573 4.015 4.836 1.751 1.00 0.00 H new ATOM 1372 N TYR A 574 5.658 8.720 -0.134 1.00 0.00 N ATOM 1373 CA TYR A 574 6.400 9.722 0.622 1.00 0.00 C ATOM 1374 C TYR A 574 6.675 10.949 -0.240 1.00 0.00 C ATOM 1375 O TYR A 574 7.234 11.939 0.232 1.00 0.00 O ATOM 1376 CB TYR A 574 7.722 9.130 1.114 1.00 0.00 C ATOM 1377 CG TYR A 574 7.490 7.720 1.605 1.00 0.00 C ATOM 1378 CD1 TYR A 574 6.660 7.492 2.710 1.00 0.00 C ATOM 1379 CD2 TYR A 574 8.103 6.640 0.955 1.00 0.00 C ATOM 1380 CE1 TYR A 574 6.442 6.186 3.164 1.00 0.00 C ATOM 1381 CE2 TYR A 574 7.884 5.335 1.411 1.00 0.00 C ATOM 1382 CZ TYR A 574 7.054 5.108 2.515 1.00 0.00 C ATOM 1383 OH TYR A 574 6.840 3.820 2.963 1.00 0.00 O ATOM 0 H TYR A 574 6.205 7.905 -0.412 1.00 0.00 H new ATOM 0 HA TYR A 574 5.798 10.025 1.479 1.00 0.00 H new ATOM 0 HB2 TYR A 574 8.455 9.130 0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 574 8.131 9.743 1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 574 6.188 8.324 3.212 1.00 0.00 H new ATOM 0 HD2 TYR A 574 8.744 6.815 0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 574 5.801 6.010 4.015 1.00 0.00 H new ATOM 0 HE2 TYR A 574 8.356 4.502 0.911 1.00 0.00 H new ATOM 0 HH TYR A 574 6.060 3.440 2.507 1.00 0.00 H new ATOM 1393 N MET A 575 6.279 10.876 -1.507 1.00 0.00 N ATOM 1394 CA MET A 575 6.488 11.988 -2.428 1.00 0.00 C ATOM 1395 C MET A 575 7.953 12.416 -2.424 1.00 0.00 C ATOM 1396 O MET A 575 8.325 13.386 -1.764 1.00 0.00 O ATOM 1397 CB MET A 575 5.602 13.172 -2.024 1.00 0.00 C ATOM 1398 CG MET A 575 5.436 14.128 -3.210 1.00 0.00 C ATOM 1399 SD MET A 575 7.011 14.954 -3.550 1.00 0.00 S ATOM 1400 CE MET A 575 6.331 16.405 -4.390 1.00 0.00 C ATOM 0 H MET A 575 5.815 10.065 -1.917 1.00 0.00 H new ATOM 0 HA MET A 575 6.221 11.663 -3.433 1.00 0.00 H new ATOM 0 HB2 MET A 575 4.627 12.812 -1.696 1.00 0.00 H new ATOM 0 HB3 MET A 575 6.047 13.699 -1.180 1.00 0.00 H new ATOM 0 HG2 MET A 575 5.105 13.577 -4.090 1.00 0.00 H new ATOM 0 HG3 MET A 575 4.666 14.867 -2.989 1.00 0.00 H new ATOM 0 HE1 MET A 575 7.144 17.065 -4.693 1.00 0.00 H new ATOM 0 HE2 MET A 575 5.774 16.087 -5.271 1.00 0.00 H new ATOM 0 HE3 MET A 575 5.664 16.939 -3.712 1.00 0.00 H new ATOM 1410 N GLY A 576 8.780 11.684 -3.163 1.00 0.00 N ATOM 1411 CA GLY A 576 10.202 11.997 -3.237 1.00 0.00 C ATOM 1412 C GLY A 576 10.931 11.514 -1.987 1.00 0.00 C ATOM 1413 O GLY A 576 10.629 10.446 -1.456 1.00 0.00 O ATOM 0 H GLY A 576 8.493 10.876 -3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 576 10.636 11.528 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 576 10.336 13.073 -3.348 1.00 0.00 H new ATOM 1417 N GLN A 577 11.890 12.309 -1.524 1.00 0.00 N ATOM 1418 CA GLN A 577 12.655 11.952 -0.334 1.00 0.00 C ATOM 1419 C GLN A 577 11.807 12.131 0.922 1.00 0.00 C ATOM 1420 O GLN A 577 10.612 12.414 0.842 1.00 0.00 O ATOM 1421 CB GLN A 577 13.914 12.821 -0.236 1.00 0.00 C ATOM 1422 CG GLN A 577 14.483 13.068 -1.639 1.00 0.00 C ATOM 1423 CD GLN A 577 13.797 14.269 -2.288 1.00 0.00 C ATOM 1424 OE1 GLN A 577 14.208 14.712 -3.360 1.00 0.00 O ATOM 1425 NE2 GLN A 577 12.772 14.824 -1.701 1.00 0.00 N ATOM 0 H GLN A 577 12.155 13.197 -1.950 1.00 0.00 H new ATOM 0 HA GLN A 577 12.947 10.905 -0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 577 13.675 13.771 0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 577 14.660 12.328 0.388 1.00 0.00 H new ATOM 0 HG2 GLN A 577 15.557 13.244 -1.577 1.00 0.00 H new ATOM 0 HG3 GLN A 577 14.341 12.182 -2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 577 12.432 14.456 -0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 577 12.311 15.626 -2.131 1.00 0.00 H new ATOM 1434 N GLY A 578 12.435 11.962 2.082 1.00 0.00 N ATOM 1435 CA GLY A 578 11.731 12.108 3.352 1.00 0.00 C ATOM 1436 C GLY A 578 12.343 11.204 4.416 1.00 0.00 C ATOM 1437 O GLY A 578 12.397 9.985 4.252 1.00 0.00 O ATOM 0 H GLY A 578 13.423 11.725 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 578 11.776 13.146 3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 578 10.678 11.861 3.220 1.00 0.00 H new ATOM 1441 N GLU A 579 12.804 11.807 5.508 1.00 0.00 N ATOM 1442 CA GLU A 579 13.410 11.045 6.594 1.00 0.00 C ATOM 1443 C GLU A 579 12.621 9.766 6.856 1.00 0.00 C ATOM 1444 O GLU A 579 13.162 8.782 7.364 1.00 0.00 O ATOM 1445 CB GLU A 579 13.453 11.893 7.866 1.00 0.00 C ATOM 1446 CG GLU A 579 14.437 13.050 7.675 1.00 0.00 C ATOM 1447 CD GLU A 579 14.349 14.010 8.857 1.00 0.00 C ATOM 1448 OE1 GLU A 579 13.383 13.922 9.597 1.00 0.00 O ATOM 1449 OE2 GLU A 579 15.250 14.819 9.005 1.00 0.00 O ATOM 0 H GLU A 579 12.770 12.814 5.664 1.00 0.00 H new ATOM 0 HA GLU A 579 14.426 10.777 6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 579 12.459 12.280 8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 579 13.756 11.280 8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 579 15.452 12.664 7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 579 14.214 13.579 6.749 1.00 0.00 H new ATOM 1456 N GLN A 580 11.341 9.786 6.501 1.00 0.00 N ATOM 1457 CA GLN A 580 10.487 8.621 6.698 1.00 0.00 C ATOM 1458 C GLN A 580 11.088 7.401 6.008 1.00 0.00 C ATOM 1459 O GLN A 580 11.303 6.364 6.636 1.00 0.00 O ATOM 1460 CB GLN A 580 9.091 8.892 6.135 1.00 0.00 C ATOM 1461 CG GLN A 580 8.341 9.853 7.060 1.00 0.00 C ATOM 1462 CD GLN A 580 7.934 9.132 8.341 1.00 0.00 C ATOM 1463 OE1 GLN A 580 7.376 8.037 8.287 1.00 0.00 O ATOM 1464 NE2 GLN A 580 8.180 9.686 9.496 1.00 0.00 N ATOM 0 H GLN A 580 10.875 10.589 6.079 1.00 0.00 H new ATOM 0 HA GLN A 580 10.412 8.424 7.767 1.00 0.00 H new ATOM 0 HB2 GLN A 580 9.168 9.320 5.135 1.00 0.00 H new ATOM 0 HB3 GLN A 580 8.538 7.957 6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 580 8.973 10.708 7.299 1.00 0.00 H new ATOM 0 HG3 GLN A 580 7.457 10.242 6.555 1.00 0.00 H new ATOM 0 HE21 GLN A 580 8.643 10.594 9.538 1.00 0.00 H new ATOM 0 HE22 GLN A 580 7.910 9.211 10.357 1.00 0.00 H new ATOM 1473 N VAL A 581 11.358 7.534 4.712 1.00 0.00 N ATOM 1474 CA VAL A 581 11.936 6.436 3.945 1.00 0.00 C ATOM 1475 C VAL A 581 13.055 5.763 4.733 1.00 0.00 C ATOM 1476 O VAL A 581 13.019 4.557 4.973 1.00 0.00 O ATOM 1477 CB VAL A 581 12.487 6.958 2.616 1.00 0.00 C ATOM 1478 CG1 VAL A 581 13.051 5.793 1.802 1.00 0.00 C ATOM 1479 CG2 VAL A 581 11.360 7.629 1.827 1.00 0.00 C ATOM 0 H VAL A 581 11.187 8.384 4.175 1.00 0.00 H new ATOM 0 HA VAL A 581 11.153 5.703 3.750 1.00 0.00 H new ATOM 0 HB VAL A 581 13.279 7.681 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 581 13.443 6.166 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 581 13.853 5.312 2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 581 12.260 5.069 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 581 11.751 8.001 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 581 10.570 6.904 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 581 10.956 8.460 2.405 1.00 0.00 H new ATOM 1489 N ASP A 582 14.047 6.552 5.135 1.00 0.00 N ATOM 1490 CA ASP A 582 15.169 6.018 5.899 1.00 0.00 C ATOM 1491 C ASP A 582 14.666 5.102 7.009 1.00 0.00 C ATOM 1492 O ASP A 582 15.258 4.057 7.281 1.00 0.00 O ATOM 1493 CB ASP A 582 15.980 7.163 6.509 1.00 0.00 C ATOM 1494 CG ASP A 582 17.172 6.603 7.279 1.00 0.00 C ATOM 1495 OD1 ASP A 582 16.948 5.834 8.200 1.00 0.00 O ATOM 1496 OD2 ASP A 582 18.289 6.950 6.936 1.00 0.00 O ATOM 0 H ASP A 582 14.097 7.553 4.947 1.00 0.00 H new ATOM 0 HA ASP A 582 15.805 5.444 5.225 1.00 0.00 H new ATOM 0 HB2 ASP A 582 16.327 7.834 5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 582 15.350 7.752 7.175 1.00 0.00 H new ATOM 1501 N ASP A 583 13.568 5.500 7.645 1.00 0.00 N ATOM 1502 CA ASP A 583 12.993 4.705 8.723 1.00 0.00 C ATOM 1503 C ASP A 583 12.303 3.465 8.163 1.00 0.00 C ATOM 1504 O ASP A 583 12.466 2.363 8.687 1.00 0.00 O ATOM 1505 CB ASP A 583 11.985 5.545 9.510 1.00 0.00 C ATOM 1506 CG ASP A 583 11.636 4.846 10.820 1.00 0.00 C ATOM 1507 OD1 ASP A 583 12.371 5.024 11.777 1.00 0.00 O ATOM 1508 OD2 ASP A 583 10.639 4.144 10.847 1.00 0.00 O ATOM 0 H ASP A 583 13.063 6.361 7.434 1.00 0.00 H new ATOM 0 HA ASP A 583 13.797 4.389 9.388 1.00 0.00 H new ATOM 0 HB2 ASP A 583 12.401 6.531 9.714 1.00 0.00 H new ATOM 0 HB3 ASP A 583 11.083 5.696 8.917 1.00 0.00 H new ATOM 1513 N VAL A 584 11.532 3.651 7.096 1.00 0.00 N ATOM 1514 CA VAL A 584 10.825 2.537 6.475 1.00 0.00 C ATOM 1515 C VAL A 584 11.793 1.404 6.157 1.00 0.00 C ATOM 1516 O VAL A 584 11.660 0.296 6.678 1.00 0.00 O ATOM 1517 CB VAL A 584 10.139 3.002 5.189 1.00 0.00 C ATOM 1518 CG1 VAL A 584 9.437 1.815 4.526 1.00 0.00 C ATOM 1519 CG2 VAL A 584 9.104 4.079 5.523 1.00 0.00 C ATOM 0 H VAL A 584 11.382 4.554 6.647 1.00 0.00 H new ATOM 0 HA VAL A 584 10.072 2.173 7.174 1.00 0.00 H new ATOM 0 HB VAL A 584 10.886 3.411 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 584 8.948 2.147 3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 584 10.171 1.045 4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 584 8.691 1.406 5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 584 8.615 4.410 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 584 8.358 3.668 6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 584 9.600 4.926 5.996 1.00 0.00 H new ATOM 1529 N LEU A 585 12.769 1.686 5.297 1.00 0.00 N ATOM 1530 CA LEU A 585 13.753 0.679 4.921 1.00 0.00 C ATOM 1531 C LEU A 585 14.335 0.014 6.164 1.00 0.00 C ATOM 1532 O LEU A 585 14.525 -1.202 6.198 1.00 0.00 O ATOM 1533 CB LEU A 585 14.882 1.321 4.109 1.00 0.00 C ATOM 1534 CG LEU A 585 14.291 2.149 2.965 1.00 0.00 C ATOM 1535 CD1 LEU A 585 15.426 2.748 2.134 1.00 0.00 C ATOM 1536 CD2 LEU A 585 13.427 1.251 2.071 1.00 0.00 C ATOM 0 H LEU A 585 12.898 2.595 4.852 1.00 0.00 H new ATOM 0 HA LEU A 585 13.256 -0.077 4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 585 15.490 1.956 4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 585 15.540 0.549 3.710 1.00 0.00 H new ATOM 0 HG LEU A 585 13.676 2.949 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 585 15.008 3.338 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 585 16.041 3.388 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 585 16.039 1.946 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 585 13.008 1.843 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 585 14.041 0.450 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 585 12.618 0.821 2.661 1.00 0.00 H new ATOM 1548 N GLU A 586 14.612 0.819 7.185 1.00 0.00 N ATOM 1549 CA GLU A 586 15.168 0.295 8.426 1.00 0.00 C ATOM 1550 C GLU A 586 14.299 -0.843 8.955 1.00 0.00 C ATOM 1551 O GLU A 586 14.783 -1.738 9.647 1.00 0.00 O ATOM 1552 CB GLU A 586 15.259 1.419 9.472 1.00 0.00 C ATOM 1553 CG GLU A 586 16.708 1.576 9.945 1.00 0.00 C ATOM 1554 CD GLU A 586 17.169 0.305 10.649 1.00 0.00 C ATOM 1555 OE1 GLU A 586 16.362 -0.293 11.342 1.00 0.00 O ATOM 1556 OE2 GLU A 586 18.324 -0.055 10.484 1.00 0.00 O ATOM 0 H GLU A 586 14.462 1.828 7.178 1.00 0.00 H new ATOM 0 HA GLU A 586 16.168 -0.092 8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 586 14.904 2.356 9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 586 14.613 1.191 10.320 1.00 0.00 H new ATOM 0 HG2 GLU A 586 17.356 1.785 9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 586 16.788 2.426 10.623 1.00 0.00 H new ATOM 1563 N THR A 587 13.012 -0.799 8.623 1.00 0.00 N ATOM 1564 CA THR A 587 12.083 -1.832 9.067 1.00 0.00 C ATOM 1565 C THR A 587 12.250 -3.097 8.230 1.00 0.00 C ATOM 1566 O THR A 587 12.421 -4.189 8.768 1.00 0.00 O ATOM 1567 CB THR A 587 10.644 -1.325 8.948 1.00 0.00 C ATOM 1568 OG1 THR A 587 10.560 -0.013 9.485 1.00 0.00 O ATOM 1569 CG2 THR A 587 9.708 -2.256 9.719 1.00 0.00 C ATOM 0 H THR A 587 12.592 -0.065 8.053 1.00 0.00 H new ATOM 0 HA THR A 587 12.300 -2.068 10.109 1.00 0.00 H new ATOM 0 HB THR A 587 10.350 -1.307 7.899 1.00 0.00 H new ATOM 0 HG1 THR A 587 10.920 0.629 8.838 1.00 0.00 H new ATOM 0 HG21 THR A 587 8.683 -1.894 9.634 1.00 0.00 H new ATOM 0 HG22 THR A 587 9.773 -3.262 9.305 1.00 0.00 H new ATOM 0 HG23 THR A 587 9.999 -2.277 10.769 1.00 0.00 H new ATOM 1577 N ILE A 588 12.198 -2.938 6.911 1.00 0.00 N ATOM 1578 CA ILE A 588 12.345 -4.073 6.008 1.00 0.00 C ATOM 1579 C ILE A 588 13.635 -4.831 6.308 1.00 0.00 C ATOM 1580 O ILE A 588 13.695 -6.052 6.170 1.00 0.00 O ATOM 1581 CB ILE A 588 12.361 -3.590 4.557 1.00 0.00 C ATOM 1582 CG1 ILE A 588 11.233 -2.574 4.341 1.00 0.00 C ATOM 1583 CG2 ILE A 588 12.161 -4.781 3.617 1.00 0.00 C ATOM 1584 CD1 ILE A 588 9.907 -3.155 4.842 1.00 0.00 C ATOM 0 H ILE A 588 12.056 -2.041 6.447 1.00 0.00 H new ATOM 0 HA ILE A 588 11.498 -4.743 6.157 1.00 0.00 H new ATOM 0 HB ILE A 588 13.320 -3.118 4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 588 11.458 -1.649 4.871 1.00 0.00 H new ATOM 0 HG13 ILE A 588 11.154 -2.324 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 588 12.173 -4.435 2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 588 12.965 -5.502 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 588 11.203 -5.256 3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 588 9.109 -2.429 4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 588 9.679 -4.068 4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 588 9.988 -3.382 5.905 1.00 0.00 H new ATOM 1596 N SER A 589 14.664 -4.097 6.720 1.00 0.00 N ATOM 1597 CA SER A 589 15.948 -4.711 7.038 1.00 0.00 C ATOM 1598 C SER A 589 15.873 -5.452 8.369 1.00 0.00 C ATOM 1599 O SER A 589 16.506 -6.492 8.548 1.00 0.00 O ATOM 1600 CB SER A 589 17.035 -3.639 7.110 1.00 0.00 C ATOM 1601 OG SER A 589 18.264 -4.240 7.495 1.00 0.00 O ATOM 0 H SER A 589 14.635 -3.085 6.841 1.00 0.00 H new ATOM 0 HA SER A 589 16.193 -5.425 6.251 1.00 0.00 H new ATOM 0 HB2 SER A 589 17.144 -3.150 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 589 16.754 -2.868 7.827 1.00 0.00 H new ATOM 0 HG SER A 589 18.963 -3.555 7.540 1.00 0.00 H new ATOM 1607 N ALA A 590 15.093 -4.909 9.298 1.00 0.00 N ATOM 1608 CA ALA A 590 14.942 -5.528 10.610 1.00 0.00 C ATOM 1609 C ALA A 590 14.474 -6.973 10.472 1.00 0.00 C ATOM 1610 O ALA A 590 15.171 -7.902 10.880 1.00 0.00 O ATOM 1611 CB ALA A 590 13.932 -4.740 11.445 1.00 0.00 C ATOM 0 H ALA A 590 14.560 -4.049 9.169 1.00 0.00 H new ATOM 0 HA ALA A 590 15.911 -5.519 11.108 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.825 -5.208 12.423 1.00 0.00 H new ATOM 0 HB2 ALA A 590 14.283 -3.716 11.570 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.967 -4.733 10.938 1.00 0.00 H new ATOM 1617 N ILE A 591 13.291 -7.154 9.895 1.00 0.00 N ATOM 1618 CA ILE A 591 12.741 -8.491 9.707 1.00 0.00 C ATOM 1619 C ILE A 591 13.499 -9.234 8.611 1.00 0.00 C ATOM 1620 O ILE A 591 14.369 -8.664 7.951 1.00 0.00 O ATOM 1621 CB ILE A 591 11.260 -8.400 9.333 1.00 0.00 C ATOM 1622 CG1 ILE A 591 11.093 -7.450 8.143 1.00 0.00 C ATOM 1623 CG2 ILE A 591 10.463 -7.867 10.525 1.00 0.00 C ATOM 1624 CD1 ILE A 591 9.655 -7.527 7.625 1.00 0.00 C ATOM 0 H ILE A 591 12.699 -6.398 9.552 1.00 0.00 H new ATOM 0 HA ILE A 591 12.846 -9.040 10.643 1.00 0.00 H new ATOM 0 HB ILE A 591 10.892 -9.390 9.064 1.00 0.00 H new ATOM 0 HG12 ILE A 591 11.328 -6.429 8.444 1.00 0.00 H new ATOM 0 HG13 ILE A 591 11.791 -7.718 7.350 1.00 0.00 H new ATOM 0 HG21 ILE A 591 9.408 -7.802 10.258 1.00 0.00 H new ATOM 0 HG22 ILE A 591 10.582 -8.541 11.373 1.00 0.00 H new ATOM 0 HG23 ILE A 591 10.830 -6.877 10.795 1.00 0.00 H new ATOM 0 HD11 ILE A 591 9.537 -6.851 6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 591 9.436 -8.547 7.308 1.00 0.00 H new ATOM 0 HD13 ILE A 591 8.966 -7.238 8.419 1.00 0.00 H new ATOM 1636 N GLU A 592 13.161 -10.504 8.419 1.00 0.00 N ATOM 1637 CA GLU A 592 13.816 -11.311 7.398 1.00 0.00 C ATOM 1638 C GLU A 592 13.534 -10.745 6.009 1.00 0.00 C ATOM 1639 O GLU A 592 12.386 -10.459 5.668 1.00 0.00 O ATOM 1640 CB GLU A 592 13.316 -12.756 7.473 1.00 0.00 C ATOM 1641 CG GLU A 592 13.733 -13.370 8.810 1.00 0.00 C ATOM 1642 CD GLU A 592 12.927 -12.747 9.944 1.00 0.00 C ATOM 1643 OE1 GLU A 592 11.735 -12.999 10.006 1.00 0.00 O ATOM 1644 OE2 GLU A 592 13.514 -12.026 10.734 1.00 0.00 O ATOM 0 H GLU A 592 12.443 -10.994 8.953 1.00 0.00 H new ATOM 0 HA GLU A 592 14.891 -11.290 7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 592 12.231 -12.783 7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 592 13.728 -13.338 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 592 13.574 -14.448 8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 592 14.798 -13.208 8.978 1.00 0.00 H new ATOM 1651 N HIS A 593 14.588 -10.584 5.214 1.00 0.00 N ATOM 1652 CA HIS A 593 14.441 -10.047 3.864 1.00 0.00 C ATOM 1653 C HIS A 593 15.299 -10.833 2.875 1.00 0.00 C ATOM 1654 O HIS A 593 16.350 -10.363 2.441 1.00 0.00 O ATOM 1655 CB HIS A 593 14.856 -8.575 3.839 1.00 0.00 C ATOM 1656 CG HIS A 593 16.221 -8.429 4.456 1.00 0.00 C ATOM 1657 ND1 HIS A 593 17.285 -7.869 3.769 1.00 0.00 N ATOM 1658 CD2 HIS A 593 16.708 -8.765 5.694 1.00 0.00 C ATOM 1659 CE1 HIS A 593 18.351 -7.884 4.590 1.00 0.00 C ATOM 1660 NE2 HIS A 593 18.054 -8.421 5.777 1.00 0.00 N ATOM 0 H HIS A 593 15.546 -10.815 5.478 1.00 0.00 H new ATOM 0 HA HIS A 593 13.395 -10.137 3.572 1.00 0.00 H new ATOM 0 HB2 HIS A 593 14.867 -8.207 2.813 1.00 0.00 H new ATOM 0 HB3 HIS A 593 14.131 -7.972 4.386 1.00 0.00 H new ATOM 0 HD1 HIS A 593 17.264 -7.510 2.814 1.00 0.00 H new ATOM 0 HD2 HIS A 593 16.134 -9.226 6.484 1.00 0.00 H new ATOM 0 HE1 HIS A 593 19.327 -7.508 4.322 1.00 0.00 H new ATOM 1668 N PRO A 594 14.869 -12.014 2.516 1.00 0.00 N ATOM 1669 CA PRO A 594 15.604 -12.881 1.558 1.00 0.00 C ATOM 1670 C PRO A 594 15.454 -12.392 0.119 1.00 0.00 C ATOM 1671 O PRO A 594 16.421 -11.952 -0.502 1.00 0.00 O ATOM 1672 CB PRO A 594 14.976 -14.277 1.740 1.00 0.00 C ATOM 1673 CG PRO A 594 13.915 -14.142 2.797 1.00 0.00 C ATOM 1674 CD PRO A 594 13.636 -12.650 2.979 1.00 0.00 C ATOM 0 HA PRO A 594 16.677 -12.879 1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 594 14.546 -14.632 0.804 1.00 0.00 H new ATOM 0 HB3 PRO A 594 15.730 -15.004 2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 594 13.008 -14.668 2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 594 14.249 -14.587 3.734 1.00 0.00 H new ATOM 0 HD2 PRO A 594 12.774 -12.328 2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 594 13.424 -12.405 4.020 1.00 0.00 H new ATOM 1682 N MET A 595 14.233 -12.471 -0.403 1.00 0.00 N ATOM 1683 CA MET A 595 13.963 -12.032 -1.770 1.00 0.00 C ATOM 1684 C MET A 595 13.468 -10.589 -1.782 1.00 0.00 C ATOM 1685 O MET A 595 13.350 -9.971 -2.839 1.00 0.00 O ATOM 1686 CB MET A 595 12.910 -12.938 -2.411 1.00 0.00 C ATOM 1687 CG MET A 595 13.351 -14.398 -2.293 1.00 0.00 C ATOM 1688 SD MET A 595 12.139 -15.461 -3.118 1.00 0.00 S ATOM 1689 CE MET A 595 12.316 -16.897 -2.029 1.00 0.00 C ATOM 0 H MET A 595 13.420 -12.832 0.095 1.00 0.00 H new ATOM 0 HA MET A 595 14.890 -12.092 -2.340 1.00 0.00 H new ATOM 0 HB2 MET A 595 11.947 -12.797 -1.920 1.00 0.00 H new ATOM 0 HB3 MET A 595 12.775 -12.672 -3.459 1.00 0.00 H new ATOM 0 HG2 MET A 595 14.334 -14.530 -2.745 1.00 0.00 H new ATOM 0 HG3 MET A 595 13.442 -14.678 -1.244 1.00 0.00 H new ATOM 0 HE1 MET A 595 11.646 -17.690 -2.361 1.00 0.00 H new ATOM 0 HE2 MET A 595 13.345 -17.254 -2.062 1.00 0.00 H new ATOM 0 HE3 MET A 595 12.064 -16.612 -1.008 1.00 0.00 H new ATOM 1699 N THR A 596 13.178 -10.059 -0.597 1.00 0.00 N ATOM 1700 CA THR A 596 12.695 -8.688 -0.482 1.00 0.00 C ATOM 1701 C THR A 596 13.845 -7.696 -0.621 1.00 0.00 C ATOM 1702 O THR A 596 13.674 -6.606 -1.163 1.00 0.00 O ATOM 1703 CB THR A 596 12.008 -8.488 0.871 1.00 0.00 C ATOM 1704 OG1 THR A 596 11.106 -9.561 1.105 1.00 0.00 O ATOM 1705 CG2 THR A 596 11.240 -7.165 0.866 1.00 0.00 C ATOM 0 H THR A 596 13.268 -10.554 0.290 1.00 0.00 H new ATOM 0 HA THR A 596 11.980 -8.509 -1.285 1.00 0.00 H new ATOM 0 HB THR A 596 12.759 -8.465 1.660 1.00 0.00 H new ATOM 0 HG1 THR A 596 10.666 -9.436 1.972 1.00 0.00 H new ATOM 0 HG21 THR A 596 10.751 -7.024 1.830 1.00 0.00 H new ATOM 0 HG22 THR A 596 11.933 -6.343 0.687 1.00 0.00 H new ATOM 0 HG23 THR A 596 10.488 -7.184 0.077 1.00 0.00 H new ATOM 1713 N SER A 597 15.016 -8.082 -0.128 1.00 0.00 N ATOM 1714 CA SER A 597 16.188 -7.216 -0.204 1.00 0.00 C ATOM 1715 C SER A 597 16.295 -6.578 -1.586 1.00 0.00 C ATOM 1716 O SER A 597 16.950 -5.550 -1.756 1.00 0.00 O ATOM 1717 CB SER A 597 17.453 -8.022 0.088 1.00 0.00 C ATOM 1718 OG SER A 597 17.408 -8.501 1.426 1.00 0.00 O ATOM 0 H SER A 597 15.180 -8.981 0.325 1.00 0.00 H new ATOM 0 HA SER A 597 16.082 -6.427 0.540 1.00 0.00 H new ATOM 0 HB2 SER A 597 17.534 -8.858 -0.607 1.00 0.00 H new ATOM 0 HB3 SER A 597 18.336 -7.400 -0.058 1.00 0.00 H new ATOM 0 HG SER A 597 16.999 -9.391 1.441 1.00 0.00 H new ATOM 1724 N ALA A 598 15.652 -7.198 -2.571 1.00 0.00 N ATOM 1725 CA ALA A 598 15.687 -6.684 -3.936 1.00 0.00 C ATOM 1726 C ALA A 598 15.027 -5.309 -4.019 1.00 0.00 C ATOM 1727 O ALA A 598 15.666 -4.328 -4.397 1.00 0.00 O ATOM 1728 CB ALA A 598 14.970 -7.654 -4.876 1.00 0.00 C ATOM 0 H ALA A 598 15.105 -8.050 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 598 16.730 -6.587 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 598 15.000 -7.264 -5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 598 15.466 -8.624 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 598 13.933 -7.766 -4.561 1.00 0.00 H new ATOM 1734 N ILE A 599 13.744 -5.246 -3.672 1.00 0.00 N ATOM 1735 CA ILE A 599 13.013 -3.983 -3.720 1.00 0.00 C ATOM 1736 C ILE A 599 13.656 -2.954 -2.794 1.00 0.00 C ATOM 1737 O ILE A 599 13.601 -1.751 -3.052 1.00 0.00 O ATOM 1738 CB ILE A 599 11.547 -4.209 -3.318 1.00 0.00 C ATOM 1739 CG1 ILE A 599 10.680 -3.069 -3.863 1.00 0.00 C ATOM 1740 CG2 ILE A 599 11.424 -4.251 -1.790 1.00 0.00 C ATOM 1741 CD1 ILE A 599 9.202 -3.398 -3.637 1.00 0.00 C ATOM 0 H ILE A 599 13.194 -6.045 -3.358 1.00 0.00 H new ATOM 0 HA ILE A 599 13.049 -3.600 -4.740 1.00 0.00 H new ATOM 0 HB ILE A 599 11.209 -5.158 -3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 599 10.936 -2.134 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 599 10.873 -2.927 -4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 599 10.382 -4.411 -1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 599 12.033 -5.066 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 599 11.769 -3.306 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 599 8.585 -2.587 -4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 599 8.952 -4.324 -4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 599 9.015 -3.518 -2.570 1.00 0.00 H new ATOM 1753 N GLU A 600 14.266 -3.435 -1.716 1.00 0.00 N ATOM 1754 CA GLU A 600 14.916 -2.550 -0.757 1.00 0.00 C ATOM 1755 C GLU A 600 15.999 -1.721 -1.442 1.00 0.00 C ATOM 1756 O GLU A 600 15.927 -0.493 -1.477 1.00 0.00 O ATOM 1757 CB GLU A 600 15.536 -3.371 0.374 1.00 0.00 C ATOM 1758 CG GLU A 600 16.053 -2.434 1.467 1.00 0.00 C ATOM 1759 CD GLU A 600 16.718 -3.242 2.576 1.00 0.00 C ATOM 1760 OE1 GLU A 600 16.963 -4.418 2.359 1.00 0.00 O ATOM 1761 OE2 GLU A 600 16.972 -2.675 3.625 1.00 0.00 O ATOM 0 H GLU A 600 14.324 -4.427 -1.485 1.00 0.00 H new ATOM 0 HA GLU A 600 14.165 -1.876 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 600 14.795 -4.055 0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 600 16.353 -3.981 -0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 600 16.766 -1.727 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 600 15.229 -1.849 1.876 1.00 0.00 H new ATOM 1768 N VAL A 601 17.003 -2.402 -1.988 1.00 0.00 N ATOM 1769 CA VAL A 601 18.094 -1.718 -2.670 1.00 0.00 C ATOM 1770 C VAL A 601 17.555 -0.855 -3.805 1.00 0.00 C ATOM 1771 O VAL A 601 18.192 0.114 -4.220 1.00 0.00 O ATOM 1772 CB VAL A 601 19.082 -2.743 -3.231 1.00 0.00 C ATOM 1773 CG1 VAL A 601 20.198 -2.021 -3.989 1.00 0.00 C ATOM 1774 CG2 VAL A 601 19.688 -3.549 -2.079 1.00 0.00 C ATOM 0 H VAL A 601 17.083 -3.419 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 601 18.605 -1.077 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 601 18.559 -3.414 -3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 601 20.900 -2.753 -4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 601 19.768 -1.447 -4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 601 20.722 -1.348 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 601 20.392 -4.280 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 601 20.210 -2.876 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 601 18.894 -4.066 -1.540 1.00 0.00 H new ATOM 1784 N LEU A 602 16.376 -1.214 -4.304 1.00 0.00 N ATOM 1785 CA LEU A 602 15.758 -0.465 -5.393 1.00 0.00 C ATOM 1786 C LEU A 602 15.274 0.896 -4.900 1.00 0.00 C ATOM 1787 O LEU A 602 15.642 1.934 -5.452 1.00 0.00 O ATOM 1788 CB LEU A 602 14.578 -1.262 -5.968 1.00 0.00 C ATOM 1789 CG LEU A 602 14.425 -0.965 -7.467 1.00 0.00 C ATOM 1790 CD1 LEU A 602 15.341 -1.891 -8.274 1.00 0.00 C ATOM 1791 CD2 LEU A 602 12.971 -1.200 -7.890 1.00 0.00 C ATOM 0 H LEU A 602 15.833 -2.012 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 602 16.502 -0.307 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 602 14.740 -2.329 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 602 13.660 -1.000 -5.441 1.00 0.00 H new ATOM 0 HG LEU A 602 14.699 0.073 -7.656 1.00 0.00 H new ATOM 0 HD11 LEU A 602 15.229 -1.677 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 602 16.377 -1.727 -7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 602 15.069 -2.929 -8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 602 12.863 -0.989 -8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 602 12.699 -2.238 -7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 602 12.315 -0.541 -7.321 1.00 0.00 H new ATOM 1803 N VAL A 603 14.448 0.887 -3.858 1.00 0.00 N ATOM 1804 CA VAL A 603 13.923 2.129 -3.301 1.00 0.00 C ATOM 1805 C VAL A 603 15.048 2.949 -2.679 1.00 0.00 C ATOM 1806 O VAL A 603 15.179 4.144 -2.946 1.00 0.00 O ATOM 1807 CB VAL A 603 12.862 1.821 -2.240 1.00 0.00 C ATOM 1808 CG1 VAL A 603 12.449 3.114 -1.534 1.00 0.00 C ATOM 1809 CG2 VAL A 603 11.637 1.199 -2.913 1.00 0.00 C ATOM 0 H VAL A 603 14.130 0.041 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 603 13.469 2.706 -4.107 1.00 0.00 H new ATOM 0 HB VAL A 603 13.274 1.125 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 603 11.694 2.892 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 603 13.320 3.561 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 603 12.038 3.812 -2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 603 10.881 0.979 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 603 11.229 1.898 -3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 603 11.927 0.277 -3.416 1.00 0.00 H new ATOM 1819 N GLY A 604 15.857 2.300 -1.847 1.00 0.00 N ATOM 1820 CA GLY A 604 16.968 2.981 -1.194 1.00 0.00 C ATOM 1821 C GLY A 604 17.762 3.810 -2.197 1.00 0.00 C ATOM 1822 O GLY A 604 18.254 4.891 -1.872 1.00 0.00 O ATOM 0 H GLY A 604 15.765 1.312 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 604 16.589 3.626 -0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 604 17.623 2.248 -0.723 1.00 0.00 H new ATOM 1826 N SER A 605 17.883 3.297 -3.417 1.00 0.00 N ATOM 1827 CA SER A 605 18.619 4.001 -4.461 1.00 0.00 C ATOM 1828 C SER A 605 17.779 5.137 -5.035 1.00 0.00 C ATOM 1829 O SER A 605 18.306 6.183 -5.412 1.00 0.00 O ATOM 1830 CB SER A 605 19.000 3.030 -5.577 1.00 0.00 C ATOM 1831 OG SER A 605 19.346 3.766 -6.743 1.00 0.00 O ATOM 0 H SER A 605 17.484 2.404 -3.706 1.00 0.00 H new ATOM 0 HA SER A 605 19.524 4.420 -4.022 1.00 0.00 H new ATOM 0 HB2 SER A 605 19.839 2.409 -5.263 1.00 0.00 H new ATOM 0 HB3 SER A 605 18.168 2.359 -5.790 1.00 0.00 H new ATOM 0 HG SER A 605 19.592 3.145 -7.460 1.00 0.00 H new ATOM 1837 N CYS A 606 16.468 4.923 -5.097 1.00 0.00 N ATOM 1838 CA CYS A 606 15.562 5.937 -5.627 1.00 0.00 C ATOM 1839 C CYS A 606 15.293 7.012 -4.579 1.00 0.00 C ATOM 1840 O CYS A 606 14.373 7.818 -4.724 1.00 0.00 O ATOM 1841 CB CYS A 606 14.242 5.289 -6.048 1.00 0.00 C ATOM 1842 SG CYS A 606 13.165 6.540 -6.790 1.00 0.00 S ATOM 0 H CYS A 606 16.012 4.064 -4.790 1.00 0.00 H new ATOM 0 HA CYS A 606 16.031 6.400 -6.495 1.00 0.00 H new ATOM 0 HB2 CYS A 606 14.430 4.486 -6.761 1.00 0.00 H new ATOM 0 HB3 CYS A 606 13.753 4.840 -5.184 1.00 0.00 H new ATOM 0 HG CYS A 606 13.296 7.662 -6.147 1.00 0.00 H new ATOM 1848 N ALA A 607 16.102 7.018 -3.524 1.00 0.00 N ATOM 1849 CA ALA A 607 15.944 7.999 -2.455 1.00 0.00 C ATOM 1850 C ALA A 607 17.261 8.193 -1.712 1.00 0.00 C ATOM 1851 O ALA A 607 18.337 7.989 -2.274 1.00 0.00 O ATOM 1852 CB ALA A 607 14.866 7.534 -1.475 1.00 0.00 C ATOM 0 H ALA A 607 16.869 6.360 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 607 15.645 8.949 -2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 607 14.754 8.272 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 607 13.919 7.422 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 607 15.156 6.576 -1.043 1.00 0.00 H new