USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=20 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 560 THR OG1 : rot -55:sc= 1.13 USER MOD Set 1.2: A 595 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 543 THR OG1 : rot -128:sc= 1.79 USER MOD Set 2.2: A 574 TYR OH : rot 180:sc= -0.684 USER MOD Set 3.1: A 515 SER OG : rot -149:sc= 0.017 USER MOD Set 3.2: A 549 ASN : amide:sc= 0.0189 K(o=0.036,f=-1.4) USER MOD Single : A 500 SER OG : rot 67:sc= -0.291 USER MOD Single : A 501 LYS NZ :NH3+ 166:sc=-5.8e-05 (180deg=-0.215) USER MOD Single : A 502 ASN : amide:sc= -1.01 K(o=-1,f=-0.025) USER MOD Single : A 516 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 522 THR OG1 : rot 180:sc= 0.00389 USER MOD Single : A 525 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot -78:sc= 0.544 USER MOD Single : A 532 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 537 THR OG1 : rot 180:sc= -0.54! USER MOD Single : A 538 CYS SG : rot 180:sc= 0 USER MOD Single : A 539 ASN : amide:sc= -1.25 K(o=-1.3,f=-4.6!) USER MOD Single : A 544 THR OG1 : rot 180:sc= 0.00988 USER MOD Single : A 545 SER OG : rot -90:sc= -0.622 USER MOD Single : A 547 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 554 THR OG1 : rot 180:sc=0.000621 USER MOD Single : A 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 577 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 580 GLN : amide:sc=-0.00137 X(o=-0.0014,f=0) USER MOD Single : A 587 THR OG1 : rot 180:sc= 0 USER MOD Single : A 589 SER OG : rot 180:sc= 0 USER MOD Single : A 593 HIS : no HD1:sc= -0.165 K(o=-0.16,f=-0.83) USER MOD Single : A 596 THR OG1 : rot 180:sc= 0.00191 USER MOD Single : A 597 SER OG : rot -75:sc= 0.883 USER MOD Single : A 605 SER OG : rot 59:sc= 0.951 USER MOD Single : A 606 CYS SG : rot 180:sc= -0.143 USER MOD ----------------------------------------------------------------- ATOM 112 N ILE A 490 -15.700 -0.831 -6.889 1.00 0.00 N ATOM 113 CA ILE A 490 -14.501 -0.121 -7.316 1.00 0.00 C ATOM 114 C ILE A 490 -14.843 0.920 -8.379 1.00 0.00 C ATOM 115 O ILE A 490 -14.095 1.877 -8.586 1.00 0.00 O ATOM 116 CB ILE A 490 -13.481 -1.112 -7.878 1.00 0.00 C ATOM 117 CG1 ILE A 490 -13.322 -2.292 -6.911 1.00 0.00 C ATOM 118 CG2 ILE A 490 -12.132 -0.413 -8.059 1.00 0.00 C ATOM 119 CD1 ILE A 490 -13.024 -1.774 -5.499 1.00 0.00 C ATOM 0 HA ILE A 490 -14.075 0.388 -6.451 1.00 0.00 H new ATOM 0 HB ILE A 490 -13.830 -1.480 -8.843 1.00 0.00 H new ATOM 0 HG12 ILE A 490 -14.232 -2.892 -6.903 1.00 0.00 H new ATOM 0 HG13 ILE A 490 -12.514 -2.942 -7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 490 -11.406 -1.121 -8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 490 -12.245 0.422 -8.751 1.00 0.00 H new ATOM 0 HG23 ILE A 490 -11.783 -0.041 -7.096 1.00 0.00 H new ATOM 0 HD11 ILE A 490 -12.912 -2.618 -4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 490 -12.102 -1.193 -5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 490 -13.846 -1.142 -5.162 1.00 0.00 H new ATOM 131 N LEU A 491 -15.976 0.729 -9.046 1.00 0.00 N ATOM 132 CA LEU A 491 -16.406 1.661 -10.083 1.00 0.00 C ATOM 133 C LEU A 491 -16.982 2.928 -9.451 1.00 0.00 C ATOM 134 O LEU A 491 -16.361 3.990 -9.495 1.00 0.00 O ATOM 135 CB LEU A 491 -17.461 0.997 -10.979 1.00 0.00 C ATOM 136 CG LEU A 491 -17.404 1.601 -12.385 1.00 0.00 C ATOM 137 CD1 LEU A 491 -18.466 0.942 -13.267 1.00 0.00 C ATOM 138 CD2 LEU A 491 -17.671 3.107 -12.305 1.00 0.00 C ATOM 0 H LEU A 491 -16.609 -0.056 -8.890 1.00 0.00 H new ATOM 0 HA LEU A 491 -15.542 1.933 -10.690 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -17.285 -0.078 -11.028 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -18.454 1.139 -10.553 1.00 0.00 H new ATOM 0 HG LEU A 491 -16.417 1.429 -12.814 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -18.426 1.372 -14.268 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -18.277 -0.130 -13.325 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -19.453 1.114 -12.838 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -17.630 3.537 -13.306 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -18.658 3.279 -11.876 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -16.915 3.578 -11.677 1.00 0.00 H new ATOM 150 N GLY A 492 -18.166 2.804 -8.861 1.00 0.00 N ATOM 151 CA GLY A 492 -18.811 3.944 -8.220 1.00 0.00 C ATOM 152 C GLY A 492 -17.827 4.678 -7.316 1.00 0.00 C ATOM 153 O GLY A 492 -17.711 5.902 -7.372 1.00 0.00 O ATOM 0 H GLY A 492 -18.695 1.933 -8.813 1.00 0.00 H new ATOM 0 HA2 GLY A 492 -19.194 4.626 -8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 492 -19.666 3.604 -7.636 1.00 0.00 H new ATOM 157 N LEU A 493 -17.117 3.921 -6.486 1.00 0.00 N ATOM 158 CA LEU A 493 -16.141 4.512 -5.580 1.00 0.00 C ATOM 159 C LEU A 493 -14.895 4.931 -6.353 1.00 0.00 C ATOM 160 O LEU A 493 -14.126 5.781 -5.901 1.00 0.00 O ATOM 161 CB LEU A 493 -15.761 3.502 -4.485 1.00 0.00 C ATOM 162 CG LEU A 493 -15.472 4.238 -3.169 1.00 0.00 C ATOM 163 CD1 LEU A 493 -16.782 4.476 -2.410 1.00 0.00 C ATOM 164 CD2 LEU A 493 -14.536 3.389 -2.304 1.00 0.00 C ATOM 0 H LEU A 493 -17.198 2.906 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 493 -16.582 5.393 -5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -16.571 2.787 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -14.884 2.932 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 493 -15.001 5.196 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -16.572 4.999 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -17.452 5.080 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -17.255 3.519 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -14.331 3.911 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -15.009 2.431 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -13.601 3.219 -2.838 1.00 0.00 H new ATOM 176 N GLY A 494 -14.704 4.329 -7.522 1.00 0.00 N ATOM 177 CA GLY A 494 -13.551 4.642 -8.357 1.00 0.00 C ATOM 178 C GLY A 494 -13.457 6.141 -8.619 1.00 0.00 C ATOM 179 O GLY A 494 -12.394 6.741 -8.465 1.00 0.00 O ATOM 0 H GLY A 494 -15.330 3.624 -7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 494 -12.640 4.297 -7.869 1.00 0.00 H new ATOM 0 HA3 GLY A 494 -13.628 4.108 -9.304 1.00 0.00 H new ATOM 183 N ILE A 495 -14.576 6.741 -9.015 1.00 0.00 N ATOM 184 CA ILE A 495 -14.606 8.172 -9.295 1.00 0.00 C ATOM 185 C ILE A 495 -14.810 8.968 -8.008 1.00 0.00 C ATOM 186 O ILE A 495 -14.337 10.098 -7.884 1.00 0.00 O ATOM 187 CB ILE A 495 -15.732 8.490 -10.282 1.00 0.00 C ATOM 188 CG1 ILE A 495 -15.607 9.942 -10.747 1.00 0.00 C ATOM 189 CG2 ILE A 495 -17.086 8.289 -9.598 1.00 0.00 C ATOM 190 CD1 ILE A 495 -16.793 10.293 -11.650 1.00 0.00 C ATOM 0 H ILE A 495 -15.467 6.263 -9.148 1.00 0.00 H new ATOM 0 HA ILE A 495 -13.650 8.456 -9.734 1.00 0.00 H new ATOM 0 HB ILE A 495 -15.658 7.824 -11.142 1.00 0.00 H new ATOM 0 HG12 ILE A 495 -15.582 10.610 -9.886 1.00 0.00 H new ATOM 0 HG13 ILE A 495 -14.671 10.083 -11.287 1.00 0.00 H new ATOM 0 HG21 ILE A 495 -17.887 8.516 -10.302 1.00 0.00 H new ATOM 0 HG22 ILE A 495 -17.176 7.254 -9.267 1.00 0.00 H new ATOM 0 HG23 ILE A 495 -17.161 8.953 -8.737 1.00 0.00 H new ATOM 0 HD11 ILE A 495 -16.704 11.328 -11.981 1.00 0.00 H new ATOM 0 HD12 ILE A 495 -16.798 9.633 -12.518 1.00 0.00 H new ATOM 0 HD13 ILE A 495 -17.723 10.168 -11.095 1.00 0.00 H new ATOM 202 N ALA A 496 -15.514 8.370 -7.052 1.00 0.00 N ATOM 203 CA ALA A 496 -15.772 9.034 -5.778 1.00 0.00 C ATOM 204 C ALA A 496 -14.479 9.195 -4.985 1.00 0.00 C ATOM 205 O ALA A 496 -14.377 10.059 -4.114 1.00 0.00 O ATOM 206 CB ALA A 496 -16.777 8.221 -4.956 1.00 0.00 C ATOM 0 H ALA A 496 -15.913 7.435 -7.133 1.00 0.00 H new ATOM 0 HA ALA A 496 -16.185 10.021 -5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 496 -16.963 8.725 -4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 496 -17.712 8.132 -5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 496 -16.372 7.227 -4.766 1.00 0.00 H new ATOM 212 N PHE A 497 -13.497 8.353 -5.290 1.00 0.00 N ATOM 213 CA PHE A 497 -12.215 8.404 -4.598 1.00 0.00 C ATOM 214 C PHE A 497 -11.750 9.851 -4.435 1.00 0.00 C ATOM 215 O PHE A 497 -11.089 10.193 -3.455 1.00 0.00 O ATOM 216 CB PHE A 497 -11.170 7.601 -5.389 1.00 0.00 C ATOM 217 CG PHE A 497 -10.739 6.387 -4.594 1.00 0.00 C ATOM 218 CD1 PHE A 497 -9.852 6.532 -3.521 1.00 0.00 C ATOM 219 CD2 PHE A 497 -11.229 5.120 -4.932 1.00 0.00 C ATOM 220 CE1 PHE A 497 -9.454 5.408 -2.787 1.00 0.00 C ATOM 221 CE2 PHE A 497 -10.831 3.997 -4.197 1.00 0.00 C ATOM 222 CZ PHE A 497 -9.944 4.141 -3.125 1.00 0.00 C ATOM 0 H PHE A 497 -13.564 7.631 -6.008 1.00 0.00 H new ATOM 0 HA PHE A 497 -12.333 7.967 -3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 497 -11.587 7.289 -6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 497 -10.306 8.229 -5.607 1.00 0.00 H new ATOM 0 HD1 PHE A 497 -9.475 7.510 -3.260 1.00 0.00 H new ATOM 0 HD2 PHE A 497 -11.914 5.009 -5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 497 -8.769 5.519 -1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 497 -11.209 3.019 -4.458 1.00 0.00 H new ATOM 0 HZ PHE A 497 -9.637 3.275 -2.558 1.00 0.00 H new ATOM 232 N ALA A 498 -12.103 10.695 -5.398 1.00 0.00 N ATOM 233 CA ALA A 498 -11.717 12.102 -5.346 1.00 0.00 C ATOM 234 C ALA A 498 -12.185 12.740 -4.042 1.00 0.00 C ATOM 235 O ALA A 498 -11.840 13.882 -3.739 1.00 0.00 O ATOM 236 CB ALA A 498 -12.325 12.854 -6.531 1.00 0.00 C ATOM 0 H ALA A 498 -12.651 10.434 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 498 -10.630 12.162 -5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 498 -12.032 13.903 -6.485 1.00 0.00 H new ATOM 0 HB2 ALA A 498 -11.965 12.417 -7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 498 -13.412 12.778 -6.491 1.00 0.00 H new ATOM 242 N GLY A 499 -12.976 11.996 -3.274 1.00 0.00 N ATOM 243 CA GLY A 499 -13.493 12.500 -2.006 1.00 0.00 C ATOM 244 C GLY A 499 -12.517 12.233 -0.864 1.00 0.00 C ATOM 245 O GLY A 499 -12.754 12.640 0.274 1.00 0.00 O ATOM 0 H GLY A 499 -13.271 11.048 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -13.678 13.571 -2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -14.450 12.027 -1.787 1.00 0.00 H new ATOM 249 N SER A 500 -11.421 11.544 -1.170 1.00 0.00 N ATOM 250 CA SER A 500 -10.421 11.229 -0.154 1.00 0.00 C ATOM 251 C SER A 500 -10.136 12.446 0.721 1.00 0.00 C ATOM 252 O SER A 500 -9.554 12.323 1.799 1.00 0.00 O ATOM 253 CB SER A 500 -9.124 10.761 -0.815 1.00 0.00 C ATOM 254 OG SER A 500 -9.431 9.829 -1.844 1.00 0.00 O ATOM 0 H SER A 500 -11.204 11.196 -2.104 1.00 0.00 H new ATOM 0 HA SER A 500 -10.817 10.430 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 500 -8.585 11.613 -1.229 1.00 0.00 H new ATOM 0 HB3 SER A 500 -8.470 10.300 -0.074 1.00 0.00 H new ATOM 0 HG SER A 500 -9.917 10.284 -2.563 1.00 0.00 H new ATOM 260 N LYS A 501 -10.552 13.618 0.254 1.00 0.00 N ATOM 261 CA LYS A 501 -10.336 14.846 1.009 1.00 0.00 C ATOM 262 C LYS A 501 -11.337 14.946 2.155 1.00 0.00 C ATOM 263 O LYS A 501 -11.758 16.039 2.534 1.00 0.00 O ATOM 264 CB LYS A 501 -10.488 16.061 0.086 1.00 0.00 C ATOM 265 CG LYS A 501 -9.264 16.170 -0.834 1.00 0.00 C ATOM 266 CD LYS A 501 -8.171 16.997 -0.149 1.00 0.00 C ATOM 267 CE LYS A 501 -6.836 16.770 -0.863 1.00 0.00 C ATOM 268 NZ LYS A 501 -6.972 17.139 -2.300 1.00 0.00 N ATOM 0 H LYS A 501 -11.036 13.743 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 501 -9.327 14.829 1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 501 -11.395 15.965 -0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 501 -10.591 16.970 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 501 -8.886 15.175 -1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 501 -9.547 16.636 -1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 501 -8.432 18.055 -0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 501 -8.088 16.712 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 501 -6.055 17.369 -0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 501 -6.535 15.726 -0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 -6.028 17.214 -2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 -7.521 16.408 -2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 -7.462 18.053 -2.379 1.00 0.00 H new ATOM 282 N ASN A 502 -11.713 13.794 2.703 1.00 0.00 N ATOM 283 CA ASN A 502 -12.665 13.752 3.809 1.00 0.00 C ATOM 284 C ASN A 502 -12.352 12.575 4.731 1.00 0.00 C ATOM 285 O ASN A 502 -11.752 11.587 4.310 1.00 0.00 O ATOM 286 CB ASN A 502 -14.096 13.625 3.261 1.00 0.00 C ATOM 287 CG ASN A 502 -14.967 14.768 3.777 1.00 0.00 C ATOM 288 OD1 ASN A 502 -15.717 15.374 3.011 1.00 0.00 O ATOM 289 ND2 ASN A 502 -14.912 15.100 5.038 1.00 0.00 N ATOM 0 H ASN A 502 -11.375 12.880 2.401 1.00 0.00 H new ATOM 0 HA ASN A 502 -12.582 14.676 4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 502 -14.077 13.637 2.171 1.00 0.00 H new ATOM 0 HB3 ASN A 502 -14.524 12.669 3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 502 -15.491 15.862 5.390 1.00 0.00 H new ATOM 0 HD22 ASN A 502 -14.290 14.597 5.671 1.00 0.00 H new ATOM 296 N ASP A 503 -12.760 12.691 5.990 1.00 0.00 N ATOM 297 CA ASP A 503 -12.515 11.632 6.962 1.00 0.00 C ATOM 298 C ASP A 503 -13.444 10.448 6.716 1.00 0.00 C ATOM 299 O ASP A 503 -13.330 9.412 7.372 1.00 0.00 O ATOM 300 CB ASP A 503 -12.729 12.165 8.381 1.00 0.00 C ATOM 301 CG ASP A 503 -14.180 12.598 8.561 1.00 0.00 C ATOM 302 OD1 ASP A 503 -14.815 12.902 7.566 1.00 0.00 O ATOM 303 OD2 ASP A 503 -14.634 12.619 9.694 1.00 0.00 O ATOM 0 H ASP A 503 -13.258 13.501 6.359 1.00 0.00 H new ATOM 0 HA ASP A 503 -11.484 11.297 6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 503 -12.478 11.394 9.110 1.00 0.00 H new ATOM 0 HB3 ASP A 503 -12.063 13.008 8.566 1.00 0.00 H new ATOM 308 N GLU A 504 -14.360 10.605 5.765 1.00 0.00 N ATOM 309 CA GLU A 504 -15.299 9.537 5.442 1.00 0.00 C ATOM 310 C GLU A 504 -14.619 8.491 4.570 1.00 0.00 C ATOM 311 O GLU A 504 -14.553 7.315 4.928 1.00 0.00 O ATOM 312 CB GLU A 504 -16.513 10.110 4.707 1.00 0.00 C ATOM 313 CG GLU A 504 -17.597 9.037 4.590 1.00 0.00 C ATOM 314 CD GLU A 504 -18.190 8.744 5.964 1.00 0.00 C ATOM 315 OE1 GLU A 504 -18.613 9.683 6.617 1.00 0.00 O ATOM 316 OE2 GLU A 504 -18.213 7.584 6.342 1.00 0.00 O ATOM 0 H GLU A 504 -14.472 11.453 5.209 1.00 0.00 H new ATOM 0 HA GLU A 504 -15.631 9.069 6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -16.901 10.976 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -16.221 10.455 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -18.381 9.372 3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -17.175 8.126 4.165 1.00 0.00 H new ATOM 323 N VAL A 505 -14.106 8.932 3.430 1.00 0.00 N ATOM 324 CA VAL A 505 -13.422 8.032 2.515 1.00 0.00 C ATOM 325 C VAL A 505 -12.159 7.480 3.174 1.00 0.00 C ATOM 326 O VAL A 505 -12.030 6.274 3.382 1.00 0.00 O ATOM 327 CB VAL A 505 -13.062 8.788 1.229 1.00 0.00 C ATOM 328 CG1 VAL A 505 -11.921 8.077 0.497 1.00 0.00 C ATOM 329 CG2 VAL A 505 -14.289 8.848 0.314 1.00 0.00 C ATOM 0 H VAL A 505 -14.150 9.902 3.119 1.00 0.00 H new ATOM 0 HA VAL A 505 -14.079 7.198 2.268 1.00 0.00 H new ATOM 0 HB VAL A 505 -12.743 9.797 1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 505 -11.676 8.624 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 505 -11.044 8.036 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 505 -12.229 7.064 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 505 -14.035 9.385 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 505 -14.606 7.836 0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 505 -15.100 9.366 0.826 1.00 0.00 H new ATOM 339 N LEU A 506 -11.234 8.377 3.502 1.00 0.00 N ATOM 340 CA LEU A 506 -9.982 7.982 4.139 1.00 0.00 C ATOM 341 C LEU A 506 -10.247 7.163 5.400 1.00 0.00 C ATOM 342 O LEU A 506 -9.436 6.323 5.786 1.00 0.00 O ATOM 343 CB LEU A 506 -9.176 9.234 4.501 1.00 0.00 C ATOM 344 CG LEU A 506 -7.806 8.836 5.061 1.00 0.00 C ATOM 345 CD1 LEU A 506 -6.965 8.169 3.967 1.00 0.00 C ATOM 346 CD2 LEU A 506 -7.086 10.090 5.565 1.00 0.00 C ATOM 0 H LEU A 506 -11.327 9.379 3.338 1.00 0.00 H new ATOM 0 HA LEU A 506 -9.417 7.366 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -9.048 9.861 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -9.720 9.826 5.237 1.00 0.00 H new ATOM 0 HG LEU A 506 -7.943 8.132 5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -5.993 7.890 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -7.478 7.277 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -6.825 8.865 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -6.110 9.813 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -6.955 10.791 4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -7.680 10.560 6.349 1.00 0.00 H new ATOM 358 N GLY A 507 -11.381 7.422 6.043 1.00 0.00 N ATOM 359 CA GLY A 507 -11.734 6.711 7.266 1.00 0.00 C ATOM 360 C GLY A 507 -11.985 5.227 7.004 1.00 0.00 C ATOM 361 O GLY A 507 -11.518 4.370 7.754 1.00 0.00 O ATOM 0 H GLY A 507 -12.067 8.114 5.740 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -10.932 6.821 7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -12.626 7.159 7.703 1.00 0.00 H new ATOM 365 N LEU A 508 -12.733 4.930 5.946 1.00 0.00 N ATOM 366 CA LEU A 508 -13.048 3.544 5.609 1.00 0.00 C ATOM 367 C LEU A 508 -11.943 2.918 4.757 1.00 0.00 C ATOM 368 O LEU A 508 -11.749 1.701 4.774 1.00 0.00 O ATOM 369 CB LEU A 508 -14.379 3.484 4.852 1.00 0.00 C ATOM 370 CG LEU A 508 -15.540 3.432 5.849 1.00 0.00 C ATOM 371 CD1 LEU A 508 -15.465 4.637 6.790 1.00 0.00 C ATOM 372 CD2 LEU A 508 -16.867 3.464 5.087 1.00 0.00 C ATOM 0 H LEU A 508 -13.130 5.623 5.311 1.00 0.00 H new ATOM 0 HA LEU A 508 -13.127 2.978 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 508 -14.481 4.356 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 508 -14.402 2.606 4.207 1.00 0.00 H new ATOM 0 HG LEU A 508 -15.475 2.513 6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 508 -16.292 4.597 7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 508 -14.520 4.616 7.334 1.00 0.00 H new ATOM 0 HD13 LEU A 508 -15.529 5.557 6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 508 -17.694 3.427 5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 508 -16.930 4.383 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 508 -16.923 2.605 4.418 1.00 0.00 H new ATOM 384 N LEU A 509 -11.231 3.750 4.006 1.00 0.00 N ATOM 385 CA LEU A 509 -10.160 3.257 3.144 1.00 0.00 C ATOM 386 C LEU A 509 -9.049 2.606 3.968 1.00 0.00 C ATOM 387 O LEU A 509 -8.551 1.538 3.616 1.00 0.00 O ATOM 388 CB LEU A 509 -9.582 4.416 2.314 1.00 0.00 C ATOM 389 CG LEU A 509 -9.736 4.132 0.811 1.00 0.00 C ATOM 390 CD1 LEU A 509 -9.007 2.831 0.444 1.00 0.00 C ATOM 391 CD2 LEU A 509 -11.228 4.017 0.453 1.00 0.00 C ATOM 0 H LEU A 509 -11.373 4.760 3.975 1.00 0.00 H new ATOM 0 HA LEU A 509 -10.578 2.504 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -10.094 5.344 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -8.529 4.555 2.558 1.00 0.00 H new ATOM 0 HG LEU A 509 -9.296 4.954 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -9.122 2.638 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -7.948 2.927 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -9.433 2.003 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -11.332 3.816 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -11.677 3.202 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -11.734 4.951 0.697 1.00 0.00 H new ATOM 403 N LEU A 510 -8.658 3.258 5.058 1.00 0.00 N ATOM 404 CA LEU A 510 -7.596 2.730 5.910 1.00 0.00 C ATOM 405 C LEU A 510 -7.862 1.265 6.270 1.00 0.00 C ATOM 406 O LEU A 510 -7.115 0.378 5.858 1.00 0.00 O ATOM 407 CB LEU A 510 -7.464 3.578 7.189 1.00 0.00 C ATOM 408 CG LEU A 510 -6.309 4.586 7.056 1.00 0.00 C ATOM 409 CD1 LEU A 510 -4.962 3.862 7.205 1.00 0.00 C ATOM 410 CD2 LEU A 510 -6.377 5.293 5.693 1.00 0.00 C ATOM 0 H LEU A 510 -9.055 4.144 5.371 1.00 0.00 H new ATOM 0 HA LEU A 510 -6.659 2.781 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 510 -8.397 4.109 7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 510 -7.289 2.928 8.046 1.00 0.00 H new ATOM 0 HG LEU A 510 -6.401 5.333 7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 510 -4.149 4.582 7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 510 -4.911 3.385 8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 510 -4.868 3.104 6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 510 -5.555 6.004 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 510 -6.299 4.554 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 510 -7.325 5.823 5.605 1.00 0.00 H new ATOM 422 N PRO A 511 -8.898 0.994 7.025 1.00 0.00 N ATOM 423 CA PRO A 511 -9.238 -0.396 7.436 1.00 0.00 C ATOM 424 C PRO A 511 -9.188 -1.364 6.256 1.00 0.00 C ATOM 425 O PRO A 511 -8.456 -2.354 6.281 1.00 0.00 O ATOM 426 CB PRO A 511 -10.667 -0.299 8.002 1.00 0.00 C ATOM 427 CG PRO A 511 -11.093 1.135 7.879 1.00 0.00 C ATOM 428 CD PRO A 511 -9.848 1.968 7.570 1.00 0.00 C ATOM 0 HA PRO A 511 -8.525 -0.784 8.164 1.00 0.00 H new ATOM 0 HB2 PRO A 511 -11.345 -0.951 7.451 1.00 0.00 H new ATOM 0 HB3 PRO A 511 -10.692 -0.620 9.043 1.00 0.00 H new ATOM 0 HG2 PRO A 511 -11.834 1.247 7.087 1.00 0.00 H new ATOM 0 HG3 PRO A 511 -11.561 1.475 8.803 1.00 0.00 H new ATOM 0 HD2 PRO A 511 -10.065 2.759 6.852 1.00 0.00 H new ATOM 0 HD3 PRO A 511 -9.457 2.449 8.466 1.00 0.00 H new ATOM 436 N ILE A 512 -9.972 -1.070 5.224 1.00 0.00 N ATOM 437 CA ILE A 512 -10.013 -1.920 4.040 1.00 0.00 C ATOM 438 C ILE A 512 -8.643 -1.982 3.373 1.00 0.00 C ATOM 439 O ILE A 512 -8.300 -2.973 2.729 1.00 0.00 O ATOM 440 CB ILE A 512 -11.041 -1.378 3.045 1.00 0.00 C ATOM 441 CG1 ILE A 512 -12.407 -1.273 3.729 1.00 0.00 C ATOM 442 CG2 ILE A 512 -11.144 -2.326 1.849 1.00 0.00 C ATOM 443 CD1 ILE A 512 -13.361 -0.471 2.843 1.00 0.00 C ATOM 0 H ILE A 512 -10.584 -0.255 5.183 1.00 0.00 H new ATOM 0 HA ILE A 512 -10.298 -2.925 4.349 1.00 0.00 H new ATOM 0 HB ILE A 512 -10.728 -0.392 2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -12.812 -2.269 3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -12.303 -0.790 4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 512 -11.877 -1.939 1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -10.172 -2.403 1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -11.457 -3.312 2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -14.333 -0.396 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -12.957 0.529 2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 512 -13.474 -0.973 1.882 1.00 0.00 H new ATOM 455 N ALA A 513 -7.862 -0.918 3.532 1.00 0.00 N ATOM 456 CA ALA A 513 -6.530 -0.863 2.939 1.00 0.00 C ATOM 457 C ALA A 513 -5.526 -1.620 3.803 1.00 0.00 C ATOM 458 O ALA A 513 -4.436 -1.964 3.347 1.00 0.00 O ATOM 459 CB ALA A 513 -6.083 0.592 2.790 1.00 0.00 C ATOM 0 H ALA A 513 -8.126 -0.088 4.063 1.00 0.00 H new ATOM 0 HA ALA A 513 -6.572 -1.332 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 513 -5.088 0.623 2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 513 -6.784 1.124 2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 513 -6.058 1.067 3.771 1.00 0.00 H new ATOM 465 N ALA A 514 -5.900 -1.873 5.053 1.00 0.00 N ATOM 466 CA ALA A 514 -5.022 -2.590 5.972 1.00 0.00 C ATOM 467 C ALA A 514 -5.130 -4.096 5.752 1.00 0.00 C ATOM 468 O ALA A 514 -4.652 -4.888 6.565 1.00 0.00 O ATOM 469 CB ALA A 514 -5.395 -2.255 7.417 1.00 0.00 C ATOM 0 H ALA A 514 -6.797 -1.595 5.451 1.00 0.00 H new ATOM 0 HA ALA A 514 -3.995 -2.280 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -4.735 -2.794 8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -5.288 -1.183 7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -6.428 -2.549 7.604 1.00 0.00 H new ATOM 475 N SER A 515 -5.762 -4.484 4.649 1.00 0.00 N ATOM 476 CA SER A 515 -5.927 -5.898 4.332 1.00 0.00 C ATOM 477 C SER A 515 -6.349 -6.680 5.572 1.00 0.00 C ATOM 478 O SER A 515 -5.686 -7.638 5.969 1.00 0.00 O ATOM 479 CB SER A 515 -4.616 -6.469 3.788 1.00 0.00 C ATOM 480 OG SER A 515 -4.070 -5.566 2.837 1.00 0.00 O ATOM 0 H SER A 515 -6.166 -3.845 3.964 1.00 0.00 H new ATOM 0 HA SER A 515 -6.705 -5.992 3.575 1.00 0.00 H new ATOM 0 HB2 SER A 515 -3.910 -6.628 4.603 1.00 0.00 H new ATOM 0 HB3 SER A 515 -4.793 -7.440 3.325 1.00 0.00 H new ATOM 0 HG SER A 515 -3.570 -6.067 2.159 1.00 0.00 H new ATOM 486 N THR A 516 -7.455 -6.264 6.180 1.00 0.00 N ATOM 487 CA THR A 516 -7.954 -6.931 7.375 1.00 0.00 C ATOM 488 C THR A 516 -8.078 -8.434 7.142 1.00 0.00 C ATOM 489 O THR A 516 -7.662 -9.235 7.978 1.00 0.00 O ATOM 490 CB THR A 516 -9.318 -6.356 7.763 1.00 0.00 C ATOM 491 OG1 THR A 516 -10.159 -6.323 6.618 1.00 0.00 O ATOM 492 CG2 THR A 516 -9.140 -4.939 8.310 1.00 0.00 C ATOM 0 H THR A 516 -8.019 -5.474 5.867 1.00 0.00 H new ATOM 0 HA THR A 516 -7.245 -6.761 8.185 1.00 0.00 H new ATOM 0 HB THR A 516 -9.773 -6.983 8.530 1.00 0.00 H new ATOM 0 HG1 THR A 516 -11.034 -5.957 6.865 1.00 0.00 H new ATOM 0 HG21 THR A 516 -10.112 -4.531 8.586 1.00 0.00 H new ATOM 0 HG22 THR A 516 -8.495 -4.966 9.189 1.00 0.00 H new ATOM 0 HG23 THR A 516 -8.685 -4.308 7.546 1.00 0.00 H new ATOM 500 N ASP A 517 -8.652 -8.811 6.004 1.00 0.00 N ATOM 501 CA ASP A 517 -8.822 -10.224 5.681 1.00 0.00 C ATOM 502 C ASP A 517 -9.351 -10.393 4.257 1.00 0.00 C ATOM 503 O ASP A 517 -10.006 -11.388 3.943 1.00 0.00 O ATOM 504 CB ASP A 517 -9.789 -10.872 6.686 1.00 0.00 C ATOM 505 CG ASP A 517 -9.041 -11.853 7.586 1.00 0.00 C ATOM 506 OD1 ASP A 517 -8.426 -11.404 8.538 1.00 0.00 O ATOM 507 OD2 ASP A 517 -9.096 -13.041 7.309 1.00 0.00 O ATOM 0 H ASP A 517 -9.004 -8.166 5.297 1.00 0.00 H new ATOM 0 HA ASP A 517 -7.852 -10.717 5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 517 -10.264 -10.101 7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 517 -10.584 -11.392 6.152 1.00 0.00 H new ATOM 512 N LEU A 518 -9.060 -9.419 3.397 1.00 0.00 N ATOM 513 CA LEU A 518 -9.508 -9.474 2.007 1.00 0.00 C ATOM 514 C LEU A 518 -8.310 -9.618 1.068 1.00 0.00 C ATOM 515 O LEU A 518 -7.205 -9.185 1.395 1.00 0.00 O ATOM 516 CB LEU A 518 -10.288 -8.199 1.658 1.00 0.00 C ATOM 517 CG LEU A 518 -9.650 -6.991 2.358 1.00 0.00 C ATOM 518 CD1 LEU A 518 -9.821 -5.743 1.487 1.00 0.00 C ATOM 519 CD2 LEU A 518 -10.332 -6.757 3.711 1.00 0.00 C ATOM 0 H LEU A 518 -8.520 -8.587 3.636 1.00 0.00 H new ATOM 0 HA LEU A 518 -10.159 -10.340 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -10.289 -8.047 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -11.328 -8.302 1.967 1.00 0.00 H new ATOM 0 HG LEU A 518 -8.589 -7.188 2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -9.367 -4.886 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -9.335 -5.902 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -10.883 -5.551 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -9.876 -5.899 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -11.393 -6.564 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -10.212 -7.641 4.337 1.00 0.00 H new ATOM 531 N PRO A 519 -8.503 -10.216 -0.082 1.00 0.00 N ATOM 532 CA PRO A 519 -7.410 -10.416 -1.073 1.00 0.00 C ATOM 533 C PRO A 519 -6.581 -9.149 -1.268 1.00 0.00 C ATOM 534 O PRO A 519 -7.098 -8.035 -1.179 1.00 0.00 O ATOM 535 CB PRO A 519 -8.132 -10.809 -2.375 1.00 0.00 C ATOM 536 CG PRO A 519 -9.606 -10.809 -2.079 1.00 0.00 C ATOM 537 CD PRO A 519 -9.774 -10.768 -0.560 1.00 0.00 C ATOM 0 HA PRO A 519 -6.702 -11.176 -0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 519 -7.899 -10.104 -3.173 1.00 0.00 H new ATOM 0 HB3 PRO A 519 -7.807 -11.793 -2.714 1.00 0.00 H new ATOM 0 HG2 PRO A 519 -10.089 -9.948 -2.541 1.00 0.00 H new ATOM 0 HG3 PRO A 519 -10.079 -11.700 -2.492 1.00 0.00 H new ATOM 0 HD2 PRO A 519 -10.617 -10.142 -0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 519 -9.958 -11.761 -0.151 1.00 0.00 H new ATOM 545 N ILE A 520 -5.291 -9.327 -1.537 1.00 0.00 N ATOM 546 CA ILE A 520 -4.400 -8.191 -1.744 1.00 0.00 C ATOM 547 C ILE A 520 -4.826 -7.394 -2.974 1.00 0.00 C ATOM 548 O ILE A 520 -4.819 -6.163 -2.960 1.00 0.00 O ATOM 549 CB ILE A 520 -2.963 -8.679 -1.927 1.00 0.00 C ATOM 550 CG1 ILE A 520 -2.494 -9.384 -0.648 1.00 0.00 C ATOM 551 CG2 ILE A 520 -2.049 -7.484 -2.214 1.00 0.00 C ATOM 552 CD1 ILE A 520 -1.254 -10.233 -0.948 1.00 0.00 C ATOM 0 H ILE A 520 -4.842 -10.240 -1.616 1.00 0.00 H new ATOM 0 HA ILE A 520 -4.456 -7.546 -0.867 1.00 0.00 H new ATOM 0 HB ILE A 520 -2.922 -9.377 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 520 -2.264 -8.647 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 520 -3.292 -10.015 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 520 -1.024 -7.833 -2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -2.380 -6.983 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 520 -2.091 -6.785 -1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 520 -0.925 -10.731 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 520 -1.499 -10.981 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 520 -0.455 -9.591 -1.319 1.00 0.00 H new ATOM 564 N GLU A 521 -5.193 -8.105 -4.035 1.00 0.00 N ATOM 565 CA GLU A 521 -5.617 -7.456 -5.272 1.00 0.00 C ATOM 566 C GLU A 521 -6.591 -6.320 -4.975 1.00 0.00 C ATOM 567 O GLU A 521 -6.400 -5.192 -5.429 1.00 0.00 O ATOM 568 CB GLU A 521 -6.289 -8.477 -6.193 1.00 0.00 C ATOM 569 CG GLU A 521 -5.249 -9.486 -6.682 1.00 0.00 C ATOM 570 CD GLU A 521 -5.894 -10.472 -7.649 1.00 0.00 C ATOM 571 OE1 GLU A 521 -6.672 -11.295 -7.195 1.00 0.00 O ATOM 572 OE2 GLU A 521 -5.602 -10.391 -8.831 1.00 0.00 O ATOM 0 H GLU A 521 -5.206 -9.124 -4.064 1.00 0.00 H new ATOM 0 HA GLU A 521 -4.736 -7.045 -5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 521 -7.088 -8.992 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 521 -6.747 -7.970 -7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 521 -4.428 -8.965 -7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 521 -4.823 -10.022 -5.834 1.00 0.00 H new ATOM 579 N THR A 522 -7.635 -6.626 -4.213 1.00 0.00 N ATOM 580 CA THR A 522 -8.635 -5.623 -3.863 1.00 0.00 C ATOM 581 C THR A 522 -7.999 -4.488 -3.066 1.00 0.00 C ATOM 582 O THR A 522 -8.284 -3.314 -3.304 1.00 0.00 O ATOM 583 CB THR A 522 -9.754 -6.263 -3.039 1.00 0.00 C ATOM 584 OG1 THR A 522 -10.129 -7.497 -3.633 1.00 0.00 O ATOM 585 CG2 THR A 522 -10.963 -5.326 -2.999 1.00 0.00 C ATOM 0 H THR A 522 -7.811 -7.554 -3.828 1.00 0.00 H new ATOM 0 HA THR A 522 -9.051 -5.217 -4.785 1.00 0.00 H new ATOM 0 HB THR A 522 -9.402 -6.439 -2.023 1.00 0.00 H new ATOM 0 HG1 THR A 522 -10.845 -7.910 -3.106 1.00 0.00 H new ATOM 0 HG21 THR A 522 -11.759 -5.784 -2.412 1.00 0.00 H new ATOM 0 HG22 THR A 522 -10.674 -4.379 -2.543 1.00 0.00 H new ATOM 0 HG23 THR A 522 -11.318 -5.147 -4.014 1.00 0.00 H new ATOM 593 N ALA A 523 -7.137 -4.846 -2.120 1.00 0.00 N ATOM 594 CA ALA A 523 -6.466 -3.847 -1.294 1.00 0.00 C ATOM 595 C ALA A 523 -5.405 -3.110 -2.103 1.00 0.00 C ATOM 596 O ALA A 523 -5.015 -1.993 -1.760 1.00 0.00 O ATOM 597 CB ALA A 523 -5.812 -4.521 -0.087 1.00 0.00 C ATOM 0 H ALA A 523 -6.888 -5.812 -1.907 1.00 0.00 H new ATOM 0 HA ALA A 523 -7.210 -3.128 -0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 523 -5.314 -3.769 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 523 -6.575 -5.023 0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 523 -5.080 -5.252 -0.431 1.00 0.00 H new ATOM 603 N ALA A 524 -4.943 -3.740 -3.178 1.00 0.00 N ATOM 604 CA ALA A 524 -3.926 -3.135 -4.029 1.00 0.00 C ATOM 605 C ALA A 524 -4.556 -2.130 -4.988 1.00 0.00 C ATOM 606 O ALA A 524 -3.968 -1.091 -5.286 1.00 0.00 O ATOM 607 CB ALA A 524 -3.202 -4.220 -4.828 1.00 0.00 C ATOM 0 H ALA A 524 -5.254 -4.663 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 524 -3.211 -2.613 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 524 -2.444 -3.760 -5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 524 -2.726 -4.920 -4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 524 -3.920 -4.754 -5.451 1.00 0.00 H new ATOM 613 N MET A 525 -5.755 -2.447 -5.469 1.00 0.00 N ATOM 614 CA MET A 525 -6.452 -1.561 -6.395 1.00 0.00 C ATOM 615 C MET A 525 -6.973 -0.326 -5.666 1.00 0.00 C ATOM 616 O MET A 525 -6.783 0.802 -6.121 1.00 0.00 O ATOM 617 CB MET A 525 -7.621 -2.301 -7.048 1.00 0.00 C ATOM 618 CG MET A 525 -8.086 -1.534 -8.286 1.00 0.00 C ATOM 619 SD MET A 525 -6.867 -1.731 -9.610 1.00 0.00 S ATOM 620 CE MET A 525 -7.792 -0.864 -10.902 1.00 0.00 C ATOM 0 H MET A 525 -6.260 -3.302 -5.236 1.00 0.00 H new ATOM 0 HA MET A 525 -5.748 -1.245 -7.164 1.00 0.00 H new ATOM 0 HB2 MET A 525 -7.316 -3.310 -7.326 1.00 0.00 H new ATOM 0 HB3 MET A 525 -8.443 -2.400 -6.339 1.00 0.00 H new ATOM 0 HG2 MET A 525 -9.057 -1.905 -8.613 1.00 0.00 H new ATOM 0 HG3 MET A 525 -8.212 -0.478 -8.047 1.00 0.00 H new ATOM 0 HE1 MET A 525 -7.214 -0.865 -11.826 1.00 0.00 H new ATOM 0 HE2 MET A 525 -8.744 -1.368 -11.069 1.00 0.00 H new ATOM 0 HE3 MET A 525 -7.976 0.164 -10.590 1.00 0.00 H new ATOM 630 N ALA A 526 -7.627 -0.548 -4.531 1.00 0.00 N ATOM 631 CA ALA A 526 -8.169 0.555 -3.746 1.00 0.00 C ATOM 632 C ALA A 526 -7.047 1.469 -3.262 1.00 0.00 C ATOM 633 O ALA A 526 -7.140 2.692 -3.371 1.00 0.00 O ATOM 634 CB ALA A 526 -8.940 0.010 -2.542 1.00 0.00 C ATOM 0 H ALA A 526 -7.794 -1.474 -4.136 1.00 0.00 H new ATOM 0 HA ALA A 526 -8.844 1.130 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 526 -9.342 0.840 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 526 -9.759 -0.620 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 526 -8.269 -0.579 -1.917 1.00 0.00 H new ATOM 640 N SER A 527 -5.990 0.867 -2.728 1.00 0.00 N ATOM 641 CA SER A 527 -4.855 1.636 -2.231 1.00 0.00 C ATOM 642 C SER A 527 -4.286 2.526 -3.332 1.00 0.00 C ATOM 643 O SER A 527 -4.009 3.704 -3.109 1.00 0.00 O ATOM 644 CB SER A 527 -3.766 0.693 -1.721 1.00 0.00 C ATOM 645 OG SER A 527 -3.461 -0.261 -2.730 1.00 0.00 O ATOM 0 H SER A 527 -5.895 -0.144 -2.628 1.00 0.00 H new ATOM 0 HA SER A 527 -5.200 2.267 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 527 -2.873 1.259 -1.458 1.00 0.00 H new ATOM 0 HB3 SER A 527 -4.101 0.187 -0.816 1.00 0.00 H new ATOM 0 HG SER A 527 -4.156 -0.951 -2.748 1.00 0.00 H new ATOM 651 N LEU A 528 -4.115 1.954 -4.520 1.00 0.00 N ATOM 652 CA LEU A 528 -3.578 2.708 -5.649 1.00 0.00 C ATOM 653 C LEU A 528 -4.372 3.996 -5.853 1.00 0.00 C ATOM 654 O LEU A 528 -3.798 5.076 -5.992 1.00 0.00 O ATOM 655 CB LEU A 528 -3.635 1.851 -6.921 1.00 0.00 C ATOM 656 CG LEU A 528 -2.436 2.170 -7.819 1.00 0.00 C ATOM 657 CD1 LEU A 528 -2.505 1.316 -9.086 1.00 0.00 C ATOM 658 CD2 LEU A 528 -2.463 3.653 -8.201 1.00 0.00 C ATOM 0 H LEU A 528 -4.338 0.980 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 528 -2.541 2.967 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 528 -3.632 0.793 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 528 -4.564 2.043 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 528 -1.513 1.950 -7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 528 -1.652 1.543 -9.725 1.00 0.00 H new ATOM 0 HD12 LEU A 528 -2.484 0.260 -8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 528 -3.428 1.535 -9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 528 -1.610 3.880 -8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 528 -3.386 3.874 -8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 528 -2.412 4.262 -7.299 1.00 0.00 H new ATOM 670 N ALA A 529 -5.695 3.872 -5.865 1.00 0.00 N ATOM 671 CA ALA A 529 -6.560 5.031 -6.051 1.00 0.00 C ATOM 672 C ALA A 529 -6.353 6.041 -4.926 1.00 0.00 C ATOM 673 O ALA A 529 -6.335 7.249 -5.158 1.00 0.00 O ATOM 674 CB ALA A 529 -8.025 4.589 -6.080 1.00 0.00 C ATOM 0 H ALA A 529 -6.189 2.987 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 529 -6.304 5.504 -6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 529 -8.665 5.460 -6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 529 -8.178 3.891 -6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 529 -8.276 4.101 -5.138 1.00 0.00 H new ATOM 680 N LEU A 530 -6.196 5.536 -3.707 1.00 0.00 N ATOM 681 CA LEU A 530 -5.990 6.405 -2.552 1.00 0.00 C ATOM 682 C LEU A 530 -4.760 7.285 -2.761 1.00 0.00 C ATOM 683 O LEU A 530 -4.810 8.498 -2.556 1.00 0.00 O ATOM 684 CB LEU A 530 -5.814 5.554 -1.286 1.00 0.00 C ATOM 685 CG LEU A 530 -6.420 6.277 -0.079 1.00 0.00 C ATOM 686 CD1 LEU A 530 -6.278 5.399 1.164 1.00 0.00 C ATOM 687 CD2 LEU A 530 -5.687 7.601 0.148 1.00 0.00 C ATOM 0 H LEU A 530 -6.207 4.539 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 530 -6.863 7.047 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -6.296 4.585 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -4.755 5.362 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 530 -7.475 6.475 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -6.709 5.913 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -6.801 4.456 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -5.223 5.201 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -6.120 8.114 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -4.631 7.405 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -5.787 8.229 -0.737 1.00 0.00 H new ATOM 699 N ALA A 531 -3.658 6.665 -3.170 1.00 0.00 N ATOM 700 CA ALA A 531 -2.421 7.401 -3.403 1.00 0.00 C ATOM 701 C ALA A 531 -2.582 8.369 -4.571 1.00 0.00 C ATOM 702 O ALA A 531 -1.870 9.369 -4.663 1.00 0.00 O ATOM 703 CB ALA A 531 -1.281 6.424 -3.701 1.00 0.00 C ATOM 0 H ALA A 531 -3.596 5.662 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 531 -2.186 7.972 -2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 531 -0.360 6.981 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 531 -1.145 5.753 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 531 -1.524 5.841 -4.589 1.00 0.00 H new ATOM 709 N HIS A 532 -3.521 8.064 -5.462 1.00 0.00 N ATOM 710 CA HIS A 532 -3.765 8.915 -6.621 1.00 0.00 C ATOM 711 C HIS A 532 -4.392 10.240 -6.194 1.00 0.00 C ATOM 712 O HIS A 532 -4.005 11.305 -6.676 1.00 0.00 O ATOM 713 CB HIS A 532 -4.694 8.203 -7.606 1.00 0.00 C ATOM 714 CG HIS A 532 -4.679 8.925 -8.926 1.00 0.00 C ATOM 715 ND1 HIS A 532 -3.626 8.809 -9.819 1.00 0.00 N ATOM 716 CD2 HIS A 532 -5.582 9.773 -9.518 1.00 0.00 C ATOM 717 CE1 HIS A 532 -3.917 9.568 -10.891 1.00 0.00 C ATOM 718 NE2 HIS A 532 -5.099 10.179 -10.759 1.00 0.00 N ATOM 0 H HIS A 532 -4.121 7.241 -5.405 1.00 0.00 H new ATOM 0 HA HIS A 532 -2.810 9.118 -7.105 1.00 0.00 H new ATOM 0 HB2 HIS A 532 -4.374 7.170 -7.741 1.00 0.00 H new ATOM 0 HB3 HIS A 532 -5.708 8.173 -7.208 1.00 0.00 H new ATOM 0 HD2 HIS A 532 -6.524 10.079 -9.087 1.00 0.00 H new ATOM 0 HE1 HIS A 532 -3.274 9.671 -11.753 1.00 0.00 H new ATOM 0 HE2 HIS A 532 -5.550 10.807 -11.424 1.00 0.00 H new ATOM 726 N VAL A 533 -5.362 10.166 -5.287 1.00 0.00 N ATOM 727 CA VAL A 533 -6.034 11.367 -4.803 1.00 0.00 C ATOM 728 C VAL A 533 -5.124 12.143 -3.856 1.00 0.00 C ATOM 729 O VAL A 533 -5.088 13.374 -3.881 1.00 0.00 O ATOM 730 CB VAL A 533 -7.326 10.988 -4.075 1.00 0.00 C ATOM 731 CG1 VAL A 533 -8.124 12.252 -3.750 1.00 0.00 C ATOM 732 CG2 VAL A 533 -8.170 10.074 -4.965 1.00 0.00 C ATOM 0 H VAL A 533 -5.698 9.295 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 533 -6.273 11.997 -5.660 1.00 0.00 H new ATOM 0 HB VAL A 533 -7.075 10.467 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 533 -9.043 11.979 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 533 -7.528 12.905 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 533 -8.370 12.775 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 533 -9.089 9.806 -4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 533 -8.416 10.594 -5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 533 -7.607 9.170 -5.196 1.00 0.00 H new ATOM 742 N PHE A 534 -4.390 11.412 -3.021 1.00 0.00 N ATOM 743 CA PHE A 534 -3.481 12.035 -2.063 1.00 0.00 C ATOM 744 C PHE A 534 -2.127 12.314 -2.712 1.00 0.00 C ATOM 745 O PHE A 534 -1.214 12.827 -2.065 1.00 0.00 O ATOM 746 CB PHE A 534 -3.293 11.115 -0.848 1.00 0.00 C ATOM 747 CG PHE A 534 -4.291 11.481 0.230 1.00 0.00 C ATOM 748 CD1 PHE A 534 -5.600 11.835 -0.118 1.00 0.00 C ATOM 749 CD2 PHE A 534 -3.903 11.464 1.574 1.00 0.00 C ATOM 750 CE1 PHE A 534 -6.521 12.171 0.881 1.00 0.00 C ATOM 751 CE2 PHE A 534 -4.824 11.801 2.572 1.00 0.00 C ATOM 752 CZ PHE A 534 -6.134 12.155 2.225 1.00 0.00 C ATOM 0 H PHE A 534 -4.406 10.393 -2.988 1.00 0.00 H new ATOM 0 HA PHE A 534 -3.915 12.981 -1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 534 -3.428 10.075 -1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 534 -2.277 11.208 -0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 534 -5.899 11.849 -1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 534 -2.893 11.191 1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 534 -7.531 12.443 0.614 1.00 0.00 H new ATOM 0 HE2 PHE A 534 -4.525 11.788 3.610 1.00 0.00 H new ATOM 0 HZ PHE A 534 -6.845 12.416 2.995 1.00 0.00 H new ATOM 762 N VAL A 535 -2.003 11.974 -3.990 1.00 0.00 N ATOM 763 CA VAL A 535 -0.751 12.193 -4.706 1.00 0.00 C ATOM 764 C VAL A 535 -0.266 13.627 -4.500 1.00 0.00 C ATOM 765 O VAL A 535 0.877 13.957 -4.815 1.00 0.00 O ATOM 766 CB VAL A 535 -0.950 11.925 -6.200 1.00 0.00 C ATOM 767 CG1 VAL A 535 -1.826 13.022 -6.807 1.00 0.00 C ATOM 768 CG2 VAL A 535 0.411 11.913 -6.901 1.00 0.00 C ATOM 0 H VAL A 535 -2.745 11.550 -4.547 1.00 0.00 H new ATOM 0 HA VAL A 535 -0.000 11.507 -4.314 1.00 0.00 H new ATOM 0 HB VAL A 535 -1.437 10.959 -6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 535 -1.966 12.829 -7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 535 -2.796 13.031 -6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 535 -1.342 13.989 -6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 535 0.271 11.722 -7.965 1.00 0.00 H new ATOM 0 HG22 VAL A 535 0.898 12.879 -6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 535 1.035 11.129 -6.471 1.00 0.00 H new ATOM 778 N GLY A 536 -1.145 14.469 -3.965 1.00 0.00 N ATOM 779 CA GLY A 536 -0.800 15.866 -3.714 1.00 0.00 C ATOM 780 C GLY A 536 -0.405 16.071 -2.256 1.00 0.00 C ATOM 781 O GLY A 536 0.593 16.728 -1.959 1.00 0.00 O ATOM 0 H GLY A 536 -2.095 14.212 -3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 536 0.022 16.165 -4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -1.648 16.505 -3.959 1.00 0.00 H new ATOM 785 N THR A 537 -1.195 15.502 -1.349 1.00 0.00 N ATOM 786 CA THR A 537 -0.922 15.625 0.081 1.00 0.00 C ATOM 787 C THR A 537 -0.191 14.388 0.593 1.00 0.00 C ATOM 788 O THR A 537 0.045 13.440 -0.156 1.00 0.00 O ATOM 789 CB THR A 537 -2.235 15.797 0.848 1.00 0.00 C ATOM 790 OG1 THR A 537 -2.002 15.587 2.234 1.00 0.00 O ATOM 791 CG2 THR A 537 -3.261 14.784 0.342 1.00 0.00 C ATOM 0 H THR A 537 -2.025 14.954 -1.576 1.00 0.00 H new ATOM 0 HA THR A 537 -0.290 16.499 0.239 1.00 0.00 H new ATOM 0 HB THR A 537 -2.618 16.805 0.692 1.00 0.00 H new ATOM 0 HG1 THR A 537 -2.841 15.698 2.727 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.195 14.908 0.889 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.439 14.946 -0.721 1.00 0.00 H new ATOM 0 HG23 THR A 537 -2.882 13.774 0.496 1.00 0.00 H new ATOM 799 N CYS A 538 0.166 14.405 1.874 1.00 0.00 N ATOM 800 CA CYS A 538 0.872 13.279 2.479 1.00 0.00 C ATOM 801 C CYS A 538 0.383 13.044 3.905 1.00 0.00 C ATOM 802 O CYS A 538 0.220 13.987 4.679 1.00 0.00 O ATOM 803 CB CYS A 538 2.376 13.552 2.493 1.00 0.00 C ATOM 804 SG CYS A 538 3.265 12.013 2.838 1.00 0.00 S ATOM 0 H CYS A 538 -0.020 15.180 2.510 1.00 0.00 H new ATOM 0 HA CYS A 538 0.670 12.387 1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 538 2.692 13.959 1.532 1.00 0.00 H new ATOM 0 HB3 CYS A 538 2.614 14.299 3.250 1.00 0.00 H new ATOM 0 HG CYS A 538 4.544 12.244 2.848 1.00 0.00 H new ATOM 810 N ASN A 539 0.153 11.779 4.244 1.00 0.00 N ATOM 811 CA ASN A 539 -0.317 11.424 5.581 1.00 0.00 C ATOM 812 C ASN A 539 0.302 10.103 6.029 1.00 0.00 C ATOM 813 O ASN A 539 0.487 9.189 5.225 1.00 0.00 O ATOM 814 CB ASN A 539 -1.844 11.304 5.585 1.00 0.00 C ATOM 815 CG ASN A 539 -2.479 12.690 5.644 1.00 0.00 C ATOM 816 OD1 ASN A 539 -2.286 13.502 4.740 1.00 0.00 O ATOM 817 ND2 ASN A 539 -3.229 13.009 6.663 1.00 0.00 N ATOM 0 H ASN A 539 0.283 10.986 3.616 1.00 0.00 H new ATOM 0 HA ASN A 539 -0.015 12.209 6.274 1.00 0.00 H new ATOM 0 HB2 ASN A 539 -2.178 10.781 4.689 1.00 0.00 H new ATOM 0 HB3 ASN A 539 -2.168 10.711 6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 539 -3.657 13.934 6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 539 -3.387 12.334 7.411 1.00 0.00 H new ATOM 824 N GLY A 540 0.618 10.010 7.317 1.00 0.00 N ATOM 825 CA GLY A 540 1.215 8.794 7.860 1.00 0.00 C ATOM 826 C GLY A 540 0.188 7.669 7.929 1.00 0.00 C ATOM 827 O GLY A 540 0.546 6.494 8.013 1.00 0.00 O ATOM 0 H GLY A 540 0.473 10.754 7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 540 2.055 8.487 7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 540 1.611 8.992 8.856 1.00 0.00 H new ATOM 831 N ASP A 541 -1.089 8.036 7.892 1.00 0.00 N ATOM 832 CA ASP A 541 -2.160 7.047 7.952 1.00 0.00 C ATOM 833 C ASP A 541 -2.021 6.038 6.816 1.00 0.00 C ATOM 834 O ASP A 541 -1.921 4.834 7.053 1.00 0.00 O ATOM 835 CB ASP A 541 -3.518 7.742 7.854 1.00 0.00 C ATOM 836 CG ASP A 541 -3.738 8.632 9.072 1.00 0.00 C ATOM 837 OD1 ASP A 541 -4.277 8.141 10.050 1.00 0.00 O ATOM 838 OD2 ASP A 541 -3.364 9.791 9.010 1.00 0.00 O ATOM 0 H ASP A 541 -1.406 9.003 7.821 1.00 0.00 H new ATOM 0 HA ASP A 541 -2.089 6.520 8.903 1.00 0.00 H new ATOM 0 HB2 ASP A 541 -3.565 8.340 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 541 -4.312 6.998 7.789 1.00 0.00 H new ATOM 843 N ILE A 542 -2.016 6.536 5.584 1.00 0.00 N ATOM 844 CA ILE A 542 -1.888 5.665 4.421 1.00 0.00 C ATOM 845 C ILE A 542 -0.732 4.689 4.612 1.00 0.00 C ATOM 846 O ILE A 542 -0.835 3.513 4.263 1.00 0.00 O ATOM 847 CB ILE A 542 -1.651 6.501 3.163 1.00 0.00 C ATOM 848 CG1 ILE A 542 -2.878 7.375 2.895 1.00 0.00 C ATOM 849 CG2 ILE A 542 -1.416 5.575 1.969 1.00 0.00 C ATOM 850 CD1 ILE A 542 -2.548 8.401 1.809 1.00 0.00 C ATOM 0 H ILE A 542 -2.098 7.529 5.366 1.00 0.00 H new ATOM 0 HA ILE A 542 -2.813 5.100 4.309 1.00 0.00 H new ATOM 0 HB ILE A 542 -0.776 7.134 3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 542 -3.718 6.755 2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 542 -3.182 7.883 3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 542 -1.247 6.172 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 542 -0.543 4.951 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 542 -2.290 4.941 1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 542 -3.422 9.023 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 542 -1.721 9.029 2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 542 -2.265 7.883 0.893 1.00 0.00 H new ATOM 862 N THR A 543 0.367 5.185 5.170 1.00 0.00 N ATOM 863 CA THR A 543 1.537 4.347 5.405 1.00 0.00 C ATOM 864 C THR A 543 1.184 3.176 6.315 1.00 0.00 C ATOM 865 O THR A 543 1.542 2.032 6.038 1.00 0.00 O ATOM 866 CB THR A 543 2.654 5.174 6.047 1.00 0.00 C ATOM 867 OG1 THR A 543 2.805 6.396 5.336 1.00 0.00 O ATOM 868 CG2 THR A 543 3.964 4.388 6.001 1.00 0.00 C ATOM 0 H THR A 543 0.472 6.155 5.466 1.00 0.00 H new ATOM 0 HA THR A 543 1.878 3.958 4.446 1.00 0.00 H new ATOM 0 HB THR A 543 2.399 5.387 7.085 1.00 0.00 H new ATOM 0 HG1 THR A 543 3.744 6.512 5.080 1.00 0.00 H new ATOM 0 HG21 THR A 543 4.758 4.978 6.458 1.00 0.00 H new ATOM 0 HG22 THR A 543 3.846 3.452 6.547 1.00 0.00 H new ATOM 0 HG23 THR A 543 4.223 4.173 4.964 1.00 0.00 H new ATOM 876 N THR A 544 0.482 3.470 7.403 1.00 0.00 N ATOM 877 CA THR A 544 0.088 2.432 8.348 1.00 0.00 C ATOM 878 C THR A 544 -0.702 1.331 7.645 1.00 0.00 C ATOM 879 O THR A 544 -0.669 0.171 8.057 1.00 0.00 O ATOM 880 CB THR A 544 -0.764 3.040 9.466 1.00 0.00 C ATOM 881 OG1 THR A 544 -0.159 4.243 9.917 1.00 0.00 O ATOM 882 CG2 THR A 544 -0.868 2.049 10.628 1.00 0.00 C ATOM 0 H THR A 544 0.176 4.411 7.652 1.00 0.00 H new ATOM 0 HA THR A 544 0.992 1.996 8.774 1.00 0.00 H new ATOM 0 HB THR A 544 -1.763 3.256 9.087 1.00 0.00 H new ATOM 0 HG1 THR A 544 -0.703 4.635 10.631 1.00 0.00 H new ATOM 0 HG21 THR A 544 -1.475 2.483 11.423 1.00 0.00 H new ATOM 0 HG22 THR A 544 -1.333 1.127 10.279 1.00 0.00 H new ATOM 0 HG23 THR A 544 0.129 1.831 11.010 1.00 0.00 H new ATOM 890 N SER A 545 -1.409 1.701 6.581 1.00 0.00 N ATOM 891 CA SER A 545 -2.204 0.733 5.829 1.00 0.00 C ATOM 892 C SER A 545 -1.332 0.003 4.813 1.00 0.00 C ATOM 893 O SER A 545 -1.269 -1.227 4.806 1.00 0.00 O ATOM 894 CB SER A 545 -3.350 1.450 5.107 1.00 0.00 C ATOM 895 OG SER A 545 -3.173 1.334 3.699 1.00 0.00 O ATOM 0 H SER A 545 -1.449 2.655 6.222 1.00 0.00 H new ATOM 0 HA SER A 545 -2.616 0.003 6.526 1.00 0.00 H new ATOM 0 HB2 SER A 545 -4.306 1.017 5.401 1.00 0.00 H new ATOM 0 HB3 SER A 545 -3.374 2.501 5.395 1.00 0.00 H new ATOM 0 HG SER A 545 -2.642 2.091 3.373 1.00 0.00 H new ATOM 901 N ILE A 546 -0.667 0.768 3.955 1.00 0.00 N ATOM 902 CA ILE A 546 0.194 0.184 2.935 1.00 0.00 C ATOM 903 C ILE A 546 1.242 -0.727 3.573 1.00 0.00 C ATOM 904 O ILE A 546 1.649 -1.728 2.983 1.00 0.00 O ATOM 905 CB ILE A 546 0.872 1.301 2.120 1.00 0.00 C ATOM 906 CG1 ILE A 546 1.069 0.837 0.668 1.00 0.00 C ATOM 907 CG2 ILE A 546 2.231 1.654 2.730 1.00 0.00 C ATOM 908 CD1 ILE A 546 -0.224 1.057 -0.126 1.00 0.00 C ATOM 0 H ILE A 546 -0.707 1.787 3.945 1.00 0.00 H new ATOM 0 HA ILE A 546 -0.416 -0.420 2.264 1.00 0.00 H new ATOM 0 HB ILE A 546 0.234 2.184 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 546 1.888 1.390 0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 546 1.345 -0.217 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 546 2.699 2.445 2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 546 2.092 1.997 3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 546 2.872 0.772 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 546 -0.080 0.727 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 546 -1.032 0.485 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 546 -0.480 2.116 -0.118 1.00 0.00 H new ATOM 920 N MET A 547 1.671 -0.377 4.781 1.00 0.00 N ATOM 921 CA MET A 547 2.667 -1.176 5.486 1.00 0.00 C ATOM 922 C MET A 547 2.047 -2.481 5.977 1.00 0.00 C ATOM 923 O MET A 547 2.593 -3.561 5.756 1.00 0.00 O ATOM 924 CB MET A 547 3.226 -0.391 6.677 1.00 0.00 C ATOM 925 CG MET A 547 4.563 -0.999 7.123 1.00 0.00 C ATOM 926 SD MET A 547 5.931 -0.043 6.417 1.00 0.00 S ATOM 927 CE MET A 547 6.577 -1.327 5.316 1.00 0.00 C ATOM 0 H MET A 547 1.348 0.447 5.289 1.00 0.00 H new ATOM 0 HA MET A 547 3.479 -1.406 4.796 1.00 0.00 H new ATOM 0 HB2 MET A 547 3.366 0.654 6.401 1.00 0.00 H new ATOM 0 HB3 MET A 547 2.514 -0.410 7.503 1.00 0.00 H new ATOM 0 HG2 MET A 547 4.629 -0.999 8.211 1.00 0.00 H new ATOM 0 HG3 MET A 547 4.627 -2.038 6.800 1.00 0.00 H new ATOM 0 HE1 MET A 547 7.440 -0.941 4.774 1.00 0.00 H new ATOM 0 HE2 MET A 547 6.876 -2.194 5.905 1.00 0.00 H new ATOM 0 HE3 MET A 547 5.804 -1.620 4.605 1.00 0.00 H new ATOM 937 N ASP A 548 0.902 -2.369 6.643 1.00 0.00 N ATOM 938 CA ASP A 548 0.212 -3.545 7.161 1.00 0.00 C ATOM 939 C ASP A 548 0.129 -4.630 6.091 1.00 0.00 C ATOM 940 O ASP A 548 0.323 -5.812 6.375 1.00 0.00 O ATOM 941 CB ASP A 548 -1.197 -3.164 7.617 1.00 0.00 C ATOM 942 CG ASP A 548 -1.125 -2.336 8.895 1.00 0.00 C ATOM 943 OD1 ASP A 548 -0.027 -1.957 9.271 1.00 0.00 O ATOM 944 OD2 ASP A 548 -2.167 -2.091 9.479 1.00 0.00 O ATOM 0 H ASP A 548 0.435 -1.483 6.836 1.00 0.00 H new ATOM 0 HA ASP A 548 0.775 -3.931 8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 548 -1.701 -2.597 6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 548 -1.788 -4.063 7.789 1.00 0.00 H new ATOM 949 N ASN A 549 -0.162 -4.219 4.860 1.00 0.00 N ATOM 950 CA ASN A 549 -0.267 -5.164 3.755 1.00 0.00 C ATOM 951 C ASN A 549 1.087 -5.802 3.466 1.00 0.00 C ATOM 952 O ASN A 549 1.189 -7.018 3.300 1.00 0.00 O ATOM 953 CB ASN A 549 -0.773 -4.448 2.501 1.00 0.00 C ATOM 954 CG ASN A 549 -0.794 -5.413 1.321 1.00 0.00 C ATOM 955 OD1 ASN A 549 -1.407 -6.478 1.400 1.00 0.00 O ATOM 956 ND2 ASN A 549 -0.159 -5.102 0.224 1.00 0.00 N ATOM 0 H ASN A 549 -0.328 -3.246 4.605 1.00 0.00 H new ATOM 0 HA ASN A 549 -0.972 -5.946 4.036 1.00 0.00 H new ATOM 0 HB2 ASN A 549 -1.774 -4.054 2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 549 -0.131 -3.597 2.274 1.00 0.00 H new ATOM 0 HD21 ASN A 549 -0.170 -5.742 -0.570 1.00 0.00 H new ATOM 0 HD22 ASN A 549 0.348 -4.219 0.161 1.00 0.00 H new ATOM 963 N PHE A 550 2.125 -4.974 3.405 1.00 0.00 N ATOM 964 CA PHE A 550 3.470 -5.470 3.134 1.00 0.00 C ATOM 965 C PHE A 550 3.848 -6.560 4.135 1.00 0.00 C ATOM 966 O PHE A 550 4.497 -7.544 3.779 1.00 0.00 O ATOM 967 CB PHE A 550 4.479 -4.317 3.220 1.00 0.00 C ATOM 968 CG PHE A 550 4.580 -3.621 1.881 1.00 0.00 C ATOM 969 CD1 PHE A 550 3.419 -3.242 1.195 1.00 0.00 C ATOM 970 CD2 PHE A 550 5.838 -3.351 1.325 1.00 0.00 C ATOM 971 CE1 PHE A 550 3.515 -2.597 -0.043 1.00 0.00 C ATOM 972 CE2 PHE A 550 5.933 -2.705 0.086 1.00 0.00 C ATOM 973 CZ PHE A 550 4.772 -2.327 -0.597 1.00 0.00 C ATOM 0 H PHE A 550 2.062 -3.965 3.538 1.00 0.00 H new ATOM 0 HA PHE A 550 3.489 -5.893 2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 550 4.169 -3.607 3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 550 5.456 -4.699 3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 550 2.449 -3.448 1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 550 6.735 -3.641 1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 550 2.619 -2.307 -0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 550 6.903 -2.499 -0.342 1.00 0.00 H new ATOM 0 HZ PHE A 550 4.845 -1.827 -1.551 1.00 0.00 H new ATOM 983 N LEU A 551 3.439 -6.377 5.386 1.00 0.00 N ATOM 984 CA LEU A 551 3.743 -7.351 6.429 1.00 0.00 C ATOM 985 C LEU A 551 3.047 -8.680 6.142 1.00 0.00 C ATOM 986 O LEU A 551 3.702 -9.702 5.943 1.00 0.00 O ATOM 987 CB LEU A 551 3.290 -6.812 7.795 1.00 0.00 C ATOM 988 CG LEU A 551 4.448 -6.074 8.488 1.00 0.00 C ATOM 989 CD1 LEU A 551 5.509 -7.081 8.958 1.00 0.00 C ATOM 990 CD2 LEU A 551 5.082 -5.071 7.513 1.00 0.00 C ATOM 0 H LEU A 551 2.900 -5.570 5.701 1.00 0.00 H new ATOM 0 HA LEU A 551 4.820 -7.517 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 551 2.445 -6.136 7.665 1.00 0.00 H new ATOM 0 HB3 LEU A 551 2.947 -7.634 8.422 1.00 0.00 H new ATOM 0 HG LEU A 551 4.059 -5.538 9.354 1.00 0.00 H new ATOM 0 HD11 LEU A 551 6.325 -6.548 9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 551 5.059 -7.782 9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 551 5.897 -7.628 8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 551 5.902 -4.551 8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 551 5.464 -5.603 6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 551 4.331 -4.347 7.197 1.00 0.00 H new ATOM 1002 N GLU A 552 1.718 -8.658 6.128 1.00 0.00 N ATOM 1003 CA GLU A 552 0.949 -9.870 5.870 1.00 0.00 C ATOM 1004 C GLU A 552 1.397 -10.527 4.568 1.00 0.00 C ATOM 1005 O GLU A 552 1.783 -11.696 4.555 1.00 0.00 O ATOM 1006 CB GLU A 552 -0.543 -9.532 5.785 1.00 0.00 C ATOM 1007 CG GLU A 552 -1.102 -9.298 7.192 1.00 0.00 C ATOM 1008 CD GLU A 552 -1.433 -10.632 7.854 1.00 0.00 C ATOM 1009 OE1 GLU A 552 -0.507 -11.330 8.232 1.00 0.00 O ATOM 1010 OE2 GLU A 552 -2.609 -10.936 7.973 1.00 0.00 O ATOM 0 H GLU A 552 1.156 -7.823 6.291 1.00 0.00 H new ATOM 0 HA GLU A 552 1.120 -10.566 6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 552 -0.690 -8.642 5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 552 -1.083 -10.345 5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 552 -0.374 -8.755 7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 552 -1.997 -8.678 7.138 1.00 0.00 H new ATOM 1017 N ARG A 553 1.345 -9.766 3.477 1.00 0.00 N ATOM 1018 CA ARG A 553 1.748 -10.277 2.167 1.00 0.00 C ATOM 1019 C ARG A 553 1.412 -11.764 2.039 1.00 0.00 C ATOM 1020 O ARG A 553 2.234 -12.627 2.349 1.00 0.00 O ATOM 1021 CB ARG A 553 3.256 -10.059 1.962 1.00 0.00 C ATOM 1022 CG ARG A 553 3.485 -9.004 0.874 1.00 0.00 C ATOM 1023 CD ARG A 553 4.985 -8.762 0.700 1.00 0.00 C ATOM 1024 NE ARG A 553 5.246 -8.115 -0.583 1.00 0.00 N ATOM 1025 CZ ARG A 553 6.322 -7.357 -0.766 1.00 0.00 C ATOM 1026 NH1 ARG A 553 7.514 -7.870 -0.619 1.00 0.00 N ATOM 1027 NH2 ARG A 553 6.189 -6.101 -1.093 1.00 0.00 N ATOM 0 H ARG A 553 1.029 -8.796 3.473 1.00 0.00 H new ATOM 0 HA ARG A 553 1.198 -9.733 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 553 3.716 -9.737 2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 553 3.733 -10.997 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 553 3.049 -9.338 -0.068 1.00 0.00 H new ATOM 0 HG3 ARG A 553 2.986 -8.074 1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 553 5.357 -8.138 1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 553 5.522 -9.709 0.754 1.00 0.00 H new ATOM 0 HE ARG A 553 4.590 -8.247 -1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 553 7.619 -8.852 -0.364 1.00 0.00 H new ATOM 0 HH12 ARG A 553 8.340 -7.289 -0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 553 5.258 -5.700 -1.208 1.00 0.00 H new ATOM 0 HH22 ARG A 553 7.016 -5.520 -1.233 1.00 0.00 H new ATOM 1041 N THR A 554 0.198 -12.055 1.580 1.00 0.00 N ATOM 1042 CA THR A 554 -0.235 -13.438 1.418 1.00 0.00 C ATOM 1043 C THR A 554 0.598 -14.137 0.347 1.00 0.00 C ATOM 1044 O THR A 554 1.251 -13.486 -0.469 1.00 0.00 O ATOM 1045 CB THR A 554 -1.717 -13.481 1.032 1.00 0.00 C ATOM 1046 OG1 THR A 554 -2.430 -12.517 1.794 1.00 0.00 O ATOM 1047 CG2 THR A 554 -2.283 -14.875 1.312 1.00 0.00 C ATOM 0 H THR A 554 -0.498 -11.357 1.316 1.00 0.00 H new ATOM 0 HA THR A 554 -0.095 -13.958 2.366 1.00 0.00 H new ATOM 0 HB THR A 554 -1.822 -13.258 -0.030 1.00 0.00 H new ATOM 0 HG1 THR A 554 -3.378 -12.541 1.548 1.00 0.00 H new ATOM 0 HG21 THR A 554 -3.337 -14.902 1.036 1.00 0.00 H new ATOM 0 HG22 THR A 554 -1.736 -15.614 0.727 1.00 0.00 H new ATOM 0 HG23 THR A 554 -2.180 -15.103 2.373 1.00 0.00 H new ATOM 1055 N ALA A 555 0.573 -15.465 0.359 1.00 0.00 N ATOM 1056 CA ALA A 555 1.331 -16.245 -0.612 1.00 0.00 C ATOM 1057 C ALA A 555 1.092 -15.732 -2.029 1.00 0.00 C ATOM 1058 O ALA A 555 1.787 -16.124 -2.967 1.00 0.00 O ATOM 1059 CB ALA A 555 0.925 -17.717 -0.527 1.00 0.00 C ATOM 0 H ALA A 555 0.039 -16.022 1.027 1.00 0.00 H new ATOM 0 HA ALA A 555 2.391 -16.142 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 555 1.495 -18.294 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 555 1.130 -18.094 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -0.140 -17.814 -0.740 1.00 0.00 H new ATOM 1065 N ILE A 556 0.104 -14.856 -2.179 1.00 0.00 N ATOM 1066 CA ILE A 556 -0.218 -14.301 -3.489 1.00 0.00 C ATOM 1067 C ILE A 556 1.031 -13.696 -4.133 1.00 0.00 C ATOM 1068 O ILE A 556 1.034 -13.367 -5.318 1.00 0.00 O ATOM 1069 CB ILE A 556 -1.334 -13.243 -3.339 1.00 0.00 C ATOM 1070 CG1 ILE A 556 -2.524 -13.605 -4.241 1.00 0.00 C ATOM 1071 CG2 ILE A 556 -0.825 -11.846 -3.716 1.00 0.00 C ATOM 1072 CD1 ILE A 556 -3.332 -14.736 -3.599 1.00 0.00 C ATOM 0 H ILE A 556 -0.483 -14.517 -1.417 1.00 0.00 H new ATOM 0 HA ILE A 556 -0.576 -15.097 -4.142 1.00 0.00 H new ATOM 0 HB ILE A 556 -1.648 -13.232 -2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -3.158 -12.731 -4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -2.167 -13.912 -5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -1.631 -11.122 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 556 0.004 -11.573 -3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -0.486 -11.850 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -4.175 -14.991 -4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -2.695 -15.612 -3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -3.702 -14.412 -2.626 1.00 0.00 H new ATOM 1084 N GLU A 557 2.092 -13.558 -3.343 1.00 0.00 N ATOM 1085 CA GLU A 557 3.340 -12.994 -3.846 1.00 0.00 C ATOM 1086 C GLU A 557 3.863 -13.809 -5.025 1.00 0.00 C ATOM 1087 O GLU A 557 4.717 -13.346 -5.780 1.00 0.00 O ATOM 1088 CB GLU A 557 4.391 -12.972 -2.734 1.00 0.00 C ATOM 1089 CG GLU A 557 4.473 -14.353 -2.080 1.00 0.00 C ATOM 1090 CD GLU A 557 5.751 -14.462 -1.254 1.00 0.00 C ATOM 1091 OE1 GLU A 557 6.262 -13.430 -0.851 1.00 0.00 O ATOM 1092 OE2 GLU A 557 6.199 -15.575 -1.037 1.00 0.00 O ATOM 0 H GLU A 557 2.113 -13.827 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 557 3.144 -11.976 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 557 5.362 -12.694 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 557 4.131 -12.220 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 557 3.603 -14.516 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 557 4.457 -15.129 -2.845 1.00 0.00 H new ATOM 1099 N LEU A 558 3.347 -15.026 -5.174 1.00 0.00 N ATOM 1100 CA LEU A 558 3.772 -15.900 -6.264 1.00 0.00 C ATOM 1101 C LEU A 558 3.968 -15.104 -7.551 1.00 0.00 C ATOM 1102 O LEU A 558 4.775 -15.475 -8.404 1.00 0.00 O ATOM 1103 CB LEU A 558 2.723 -16.994 -6.494 1.00 0.00 C ATOM 1104 CG LEU A 558 1.352 -16.351 -6.775 1.00 0.00 C ATOM 1105 CD1 LEU A 558 0.968 -16.567 -8.242 1.00 0.00 C ATOM 1106 CD2 LEU A 558 0.285 -16.990 -5.879 1.00 0.00 C ATOM 0 H LEU A 558 2.639 -15.427 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 558 4.722 -16.356 -5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 558 3.019 -17.623 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 558 2.659 -17.640 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 558 1.414 -15.283 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -0.003 -16.110 -8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 558 1.719 -16.109 -8.886 1.00 0.00 H new ATOM 0 HD13 LEU A 558 0.914 -17.636 -8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -0.683 -16.531 -6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 558 0.230 -18.059 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 558 0.548 -16.835 -4.833 1.00 0.00 H new ATOM 1118 N LYS A 559 3.230 -14.007 -7.682 1.00 0.00 N ATOM 1119 CA LYS A 559 3.332 -13.162 -8.868 1.00 0.00 C ATOM 1120 C LYS A 559 4.419 -12.108 -8.678 1.00 0.00 C ATOM 1121 O LYS A 559 4.491 -11.461 -7.634 1.00 0.00 O ATOM 1122 CB LYS A 559 1.993 -12.475 -9.136 1.00 0.00 C ATOM 1123 CG LYS A 559 2.002 -11.867 -10.542 1.00 0.00 C ATOM 1124 CD LYS A 559 0.704 -11.087 -10.783 1.00 0.00 C ATOM 1125 CE LYS A 559 -0.387 -12.036 -11.288 1.00 0.00 C ATOM 1126 NZ LYS A 559 -1.718 -11.379 -11.153 1.00 0.00 N ATOM 0 H LYS A 559 2.558 -13.683 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 559 3.593 -13.790 -9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 559 1.179 -13.194 -9.045 1.00 0.00 H new ATOM 0 HB3 LYS A 559 1.816 -11.697 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 559 2.860 -11.205 -10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 559 2.106 -12.655 -11.288 1.00 0.00 H new ATOM 0 HD2 LYS A 559 0.381 -10.606 -9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 559 0.875 -10.295 -11.512 1.00 0.00 H new ATOM 0 HE2 LYS A 559 -0.203 -12.298 -12.330 1.00 0.00 H new ATOM 0 HE3 LYS A 559 -0.368 -12.965 -10.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 -2.459 -12.023 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 -1.893 -11.151 -10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 -1.732 -10.504 -11.715 1.00 0.00 H new ATOM 1140 N THR A 560 5.263 -11.944 -9.695 1.00 0.00 N ATOM 1141 CA THR A 560 6.349 -10.967 -9.633 1.00 0.00 C ATOM 1142 C THR A 560 6.167 -9.890 -10.696 1.00 0.00 C ATOM 1143 O THR A 560 7.143 -9.384 -11.250 1.00 0.00 O ATOM 1144 CB THR A 560 7.691 -11.670 -9.842 1.00 0.00 C ATOM 1145 OG1 THR A 560 8.740 -10.715 -9.763 1.00 0.00 O ATOM 1146 CG2 THR A 560 7.709 -12.340 -11.218 1.00 0.00 C ATOM 0 H THR A 560 5.217 -12.471 -10.567 1.00 0.00 H new ATOM 0 HA THR A 560 6.332 -10.495 -8.651 1.00 0.00 H new ATOM 0 HB THR A 560 7.830 -12.428 -9.071 1.00 0.00 H new ATOM 0 HG1 THR A 560 8.573 -9.992 -10.404 1.00 0.00 H new ATOM 0 HG21 THR A 560 8.666 -12.841 -11.366 1.00 0.00 H new ATOM 0 HG22 THR A 560 6.903 -13.072 -11.277 1.00 0.00 H new ATOM 0 HG23 THR A 560 7.571 -11.585 -11.992 1.00 0.00 H new ATOM 1154 N ASP A 561 4.913 -9.542 -10.975 1.00 0.00 N ATOM 1155 CA ASP A 561 4.612 -8.519 -11.975 1.00 0.00 C ATOM 1156 C ASP A 561 3.865 -7.354 -11.334 1.00 0.00 C ATOM 1157 O ASP A 561 4.098 -6.192 -11.670 1.00 0.00 O ATOM 1158 CB ASP A 561 3.759 -9.121 -13.094 1.00 0.00 C ATOM 1159 CG ASP A 561 3.785 -8.212 -14.318 1.00 0.00 C ATOM 1160 OD1 ASP A 561 4.863 -7.997 -14.849 1.00 0.00 O ATOM 1161 OD2 ASP A 561 2.728 -7.744 -14.707 1.00 0.00 O ATOM 0 H ASP A 561 4.093 -9.950 -10.526 1.00 0.00 H new ATOM 0 HA ASP A 561 5.550 -8.152 -12.391 1.00 0.00 H new ATOM 0 HB2 ASP A 561 4.135 -10.110 -13.357 1.00 0.00 H new ATOM 0 HB3 ASP A 561 2.733 -9.252 -12.750 1.00 0.00 H new ATOM 1166 N TRP A 562 2.966 -7.674 -10.410 1.00 0.00 N ATOM 1167 CA TRP A 562 2.186 -6.648 -9.725 1.00 0.00 C ATOM 1168 C TRP A 562 3.069 -5.851 -8.769 1.00 0.00 C ATOM 1169 O TRP A 562 2.770 -4.702 -8.444 1.00 0.00 O ATOM 1170 CB TRP A 562 1.039 -7.299 -8.946 1.00 0.00 C ATOM 1171 CG TRP A 562 1.587 -8.041 -7.766 1.00 0.00 C ATOM 1172 CD1 TRP A 562 2.405 -9.117 -7.834 1.00 0.00 C ATOM 1173 CD2 TRP A 562 1.370 -7.779 -6.349 1.00 0.00 C ATOM 1174 NE1 TRP A 562 2.705 -9.531 -6.549 1.00 0.00 N ATOM 1175 CE2 TRP A 562 2.091 -8.739 -5.599 1.00 0.00 C ATOM 1176 CE3 TRP A 562 0.627 -6.812 -5.649 1.00 0.00 C ATOM 1177 CZ2 TRP A 562 2.073 -8.738 -4.203 1.00 0.00 C ATOM 1178 CZ3 TRP A 562 0.607 -6.809 -4.245 1.00 0.00 C ATOM 1179 CH2 TRP A 562 1.329 -7.771 -3.524 1.00 0.00 C ATOM 0 H TRP A 562 2.759 -8.629 -10.119 1.00 0.00 H new ATOM 0 HA TRP A 562 1.777 -5.968 -10.472 1.00 0.00 H new ATOM 0 HB2 TRP A 562 0.334 -6.537 -8.613 1.00 0.00 H new ATOM 0 HB3 TRP A 562 0.488 -7.982 -9.593 1.00 0.00 H new ATOM 0 HD1 TRP A 562 2.765 -9.577 -8.743 1.00 0.00 H new ATOM 0 HE1 TRP A 562 3.307 -10.325 -6.330 1.00 0.00 H new ATOM 0 HE3 TRP A 562 0.068 -6.067 -6.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 562 2.631 -9.480 -3.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 562 0.033 -6.062 -3.718 1.00 0.00 H new ATOM 0 HH2 TRP A 562 1.310 -7.764 -2.444 1.00 0.00 H new ATOM 1190 N VAL A 563 4.156 -6.471 -8.321 1.00 0.00 N ATOM 1191 CA VAL A 563 5.076 -5.811 -7.400 1.00 0.00 C ATOM 1192 C VAL A 563 5.549 -4.478 -7.972 1.00 0.00 C ATOM 1193 O VAL A 563 5.831 -3.539 -7.228 1.00 0.00 O ATOM 1194 CB VAL A 563 6.285 -6.711 -7.138 1.00 0.00 C ATOM 1195 CG1 VAL A 563 7.061 -6.914 -8.440 1.00 0.00 C ATOM 1196 CG2 VAL A 563 7.194 -6.048 -6.101 1.00 0.00 C ATOM 0 H VAL A 563 4.421 -7.422 -8.578 1.00 0.00 H new ATOM 0 HA VAL A 563 4.549 -5.624 -6.464 1.00 0.00 H new ATOM 0 HB VAL A 563 5.947 -7.677 -6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 563 7.923 -7.555 -8.254 1.00 0.00 H new ATOM 0 HG12 VAL A 563 6.413 -7.383 -9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 563 7.401 -5.949 -8.815 1.00 0.00 H new ATOM 0 HG21 VAL A 563 8.057 -6.687 -5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 563 7.533 -5.083 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 563 6.641 -5.901 -5.173 1.00 0.00 H new ATOM 1206 N ARG A 564 5.637 -4.404 -9.296 1.00 0.00 N ATOM 1207 CA ARG A 564 6.081 -3.179 -9.953 1.00 0.00 C ATOM 1208 C ARG A 564 5.090 -2.046 -9.694 1.00 0.00 C ATOM 1209 O ARG A 564 5.485 -0.920 -9.387 1.00 0.00 O ATOM 1210 CB ARG A 564 6.226 -3.420 -11.464 1.00 0.00 C ATOM 1211 CG ARG A 564 7.623 -2.992 -11.926 1.00 0.00 C ATOM 1212 CD ARG A 564 7.734 -3.149 -13.444 1.00 0.00 C ATOM 1213 NE ARG A 564 7.121 -2.009 -14.117 1.00 0.00 N ATOM 1214 CZ ARG A 564 7.496 -1.648 -15.340 1.00 0.00 C ATOM 1215 NH1 ARG A 564 8.065 -2.515 -16.132 1.00 0.00 N ATOM 1216 NH2 ARG A 564 7.295 -0.425 -15.750 1.00 0.00 N ATOM 0 H ARG A 564 5.409 -5.170 -9.930 1.00 0.00 H new ATOM 0 HA ARG A 564 7.049 -2.892 -9.543 1.00 0.00 H new ATOM 0 HB2 ARG A 564 6.065 -4.474 -11.691 1.00 0.00 H new ATOM 0 HB3 ARG A 564 5.466 -2.858 -12.006 1.00 0.00 H new ATOM 0 HG2 ARG A 564 7.809 -1.956 -11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 564 8.382 -3.598 -11.431 1.00 0.00 H new ATOM 0 HD2 ARG A 564 8.782 -3.230 -13.732 1.00 0.00 H new ATOM 0 HD3 ARG A 564 7.245 -4.071 -13.758 1.00 0.00 H new ATOM 0 HE ARG A 564 6.391 -1.479 -13.640 1.00 0.00 H new ATOM 0 HH11 ARG A 564 8.222 -3.471 -15.813 1.00 0.00 H new ATOM 0 HH12 ARG A 564 8.352 -2.237 -17.070 1.00 0.00 H new ATOM 0 HH21 ARG A 564 6.850 0.254 -15.132 1.00 0.00 H new ATOM 0 HH22 ARG A 564 7.583 -0.148 -16.689 1.00 0.00 H new ATOM 1230 N PHE A 565 3.801 -2.350 -9.818 1.00 0.00 N ATOM 1231 CA PHE A 565 2.765 -1.347 -9.592 1.00 0.00 C ATOM 1232 C PHE A 565 2.696 -0.983 -8.110 1.00 0.00 C ATOM 1233 O PHE A 565 2.697 0.194 -7.749 1.00 0.00 O ATOM 1234 CB PHE A 565 1.405 -1.886 -10.060 1.00 0.00 C ATOM 1235 CG PHE A 565 1.056 -1.298 -11.410 1.00 0.00 C ATOM 1236 CD1 PHE A 565 2.003 -1.298 -12.440 1.00 0.00 C ATOM 1237 CD2 PHE A 565 -0.217 -0.753 -11.628 1.00 0.00 C ATOM 1238 CE1 PHE A 565 1.680 -0.753 -13.688 1.00 0.00 C ATOM 1239 CE2 PHE A 565 -0.540 -0.209 -12.876 1.00 0.00 C ATOM 1240 CZ PHE A 565 0.408 -0.209 -13.907 1.00 0.00 C ATOM 0 H PHE A 565 3.451 -3.274 -10.071 1.00 0.00 H new ATOM 0 HA PHE A 565 3.012 -0.452 -10.163 1.00 0.00 H new ATOM 0 HB2 PHE A 565 1.438 -2.974 -10.125 1.00 0.00 H new ATOM 0 HB3 PHE A 565 0.634 -1.633 -9.333 1.00 0.00 H new ATOM 0 HD1 PHE A 565 2.983 -1.719 -12.272 1.00 0.00 H new ATOM 0 HD2 PHE A 565 -0.948 -0.753 -10.833 1.00 0.00 H new ATOM 0 HE1 PHE A 565 2.412 -0.752 -14.482 1.00 0.00 H new ATOM 0 HE2 PHE A 565 -1.521 0.211 -13.044 1.00 0.00 H new ATOM 0 HZ PHE A 565 0.158 0.210 -14.870 1.00 0.00 H new ATOM 1250 N LEU A 566 2.634 -2.002 -7.259 1.00 0.00 N ATOM 1251 CA LEU A 566 2.563 -1.781 -5.820 1.00 0.00 C ATOM 1252 C LEU A 566 3.781 -1.000 -5.335 1.00 0.00 C ATOM 1253 O LEU A 566 3.647 0.039 -4.688 1.00 0.00 O ATOM 1254 CB LEU A 566 2.491 -3.125 -5.090 1.00 0.00 C ATOM 1255 CG LEU A 566 2.036 -2.909 -3.641 1.00 0.00 C ATOM 1256 CD1 LEU A 566 0.513 -2.740 -3.587 1.00 0.00 C ATOM 1257 CD2 LEU A 566 2.441 -4.120 -2.796 1.00 0.00 C ATOM 0 H LEU A 566 2.631 -2.983 -7.539 1.00 0.00 H new ATOM 0 HA LEU A 566 1.666 -1.201 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 566 1.797 -3.790 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 566 3.467 -3.610 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 566 2.510 -2.009 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 566 0.200 -2.587 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 566 0.221 -1.877 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.033 -3.635 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 566 2.119 -3.969 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.969 -5.017 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 566 3.524 -4.237 -2.824 1.00 0.00 H new ATOM 1269 N ALA A 567 4.968 -1.506 -5.653 1.00 0.00 N ATOM 1270 CA ALA A 567 6.201 -0.846 -5.244 1.00 0.00 C ATOM 1271 C ALA A 567 6.175 0.627 -5.641 1.00 0.00 C ATOM 1272 O ALA A 567 6.721 1.478 -4.938 1.00 0.00 O ATOM 1273 CB ALA A 567 7.403 -1.532 -5.899 1.00 0.00 C ATOM 0 H ALA A 567 5.101 -2.364 -6.188 1.00 0.00 H new ATOM 0 HA ALA A 567 6.289 -0.918 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 567 8.321 -1.033 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 567 7.437 -2.577 -5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 567 7.308 -1.475 -6.983 1.00 0.00 H new ATOM 1279 N LEU A 568 5.537 0.920 -6.769 1.00 0.00 N ATOM 1280 CA LEU A 568 5.446 2.294 -7.249 1.00 0.00 C ATOM 1281 C LEU A 568 4.651 3.151 -6.270 1.00 0.00 C ATOM 1282 O LEU A 568 5.088 4.234 -5.880 1.00 0.00 O ATOM 1283 CB LEU A 568 4.771 2.326 -8.623 1.00 0.00 C ATOM 1284 CG LEU A 568 5.029 3.680 -9.300 1.00 0.00 C ATOM 1285 CD1 LEU A 568 6.344 3.626 -10.082 1.00 0.00 C ATOM 1286 CD2 LEU A 568 3.883 3.995 -10.267 1.00 0.00 C ATOM 0 H LEU A 568 5.078 0.230 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 568 6.455 2.697 -7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 568 5.156 1.519 -9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 568 3.699 2.162 -8.515 1.00 0.00 H new ATOM 0 HG LEU A 568 5.091 4.455 -8.536 1.00 0.00 H new ATOM 0 HD11 LEU A 568 6.523 4.589 -10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 568 7.164 3.402 -9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 568 6.283 2.848 -10.843 1.00 0.00 H new ATOM 0 HD21 LEU A 568 4.066 4.956 -10.747 1.00 0.00 H new ATOM 0 HD22 LEU A 568 3.823 3.215 -11.026 1.00 0.00 H new ATOM 0 HD23 LEU A 568 2.943 4.038 -9.716 1.00 0.00 H new ATOM 1298 N ALA A 569 3.479 2.661 -5.877 1.00 0.00 N ATOM 1299 CA ALA A 569 2.630 3.392 -4.944 1.00 0.00 C ATOM 1300 C ALA A 569 3.431 3.835 -3.723 1.00 0.00 C ATOM 1301 O ALA A 569 3.337 4.985 -3.292 1.00 0.00 O ATOM 1302 CB ALA A 569 1.464 2.509 -4.497 1.00 0.00 C ATOM 0 H ALA A 569 3.098 1.767 -6.188 1.00 0.00 H new ATOM 0 HA ALA A 569 2.243 4.276 -5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 569 0.835 3.063 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 569 0.874 2.218 -5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 569 1.851 1.616 -4.006 1.00 0.00 H new ATOM 1308 N LEU A 570 4.218 2.918 -3.171 1.00 0.00 N ATOM 1309 CA LEU A 570 5.030 3.229 -2.000 1.00 0.00 C ATOM 1310 C LEU A 570 6.171 4.170 -2.376 1.00 0.00 C ATOM 1311 O LEU A 570 6.747 4.839 -1.519 1.00 0.00 O ATOM 1312 CB LEU A 570 5.599 1.939 -1.402 1.00 0.00 C ATOM 1313 CG LEU A 570 6.138 2.209 0.009 1.00 0.00 C ATOM 1314 CD1 LEU A 570 4.978 2.510 0.970 1.00 0.00 C ATOM 1315 CD2 LEU A 570 6.902 0.977 0.501 1.00 0.00 C ATOM 0 H LEU A 570 4.311 1.961 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 570 4.399 3.722 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 570 4.824 1.173 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 570 6.397 1.554 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 570 6.805 3.071 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 570 5.372 2.700 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 570 4.435 3.388 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 570 4.302 1.655 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 570 7.287 1.164 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 570 6.231 0.118 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 570 7.733 0.770 -0.174 1.00 0.00 H new ATOM 1327 N GLY A 571 6.493 4.214 -3.666 1.00 0.00 N ATOM 1328 CA GLY A 571 7.567 5.076 -4.145 1.00 0.00 C ATOM 1329 C GLY A 571 7.080 6.508 -4.334 1.00 0.00 C ATOM 1330 O GLY A 571 7.609 7.439 -3.726 1.00 0.00 O ATOM 0 H GLY A 571 6.030 3.668 -4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 571 8.394 5.061 -3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 571 7.951 4.692 -5.090 1.00 0.00 H new ATOM 1334 N ILE A 572 6.068 6.678 -5.181 1.00 0.00 N ATOM 1335 CA ILE A 572 5.519 8.004 -5.443 1.00 0.00 C ATOM 1336 C ILE A 572 5.021 8.645 -4.151 1.00 0.00 C ATOM 1337 O ILE A 572 5.322 9.804 -3.866 1.00 0.00 O ATOM 1338 CB ILE A 572 4.369 7.906 -6.447 1.00 0.00 C ATOM 1339 CG1 ILE A 572 3.853 9.310 -6.770 1.00 0.00 C ATOM 1340 CG2 ILE A 572 3.234 7.071 -5.850 1.00 0.00 C ATOM 1341 CD1 ILE A 572 2.964 9.253 -8.014 1.00 0.00 C ATOM 0 H ILE A 572 5.615 5.921 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 572 6.310 8.627 -5.860 1.00 0.00 H new ATOM 0 HB ILE A 572 4.726 7.430 -7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 572 3.289 9.705 -5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 572 4.690 9.987 -6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 572 2.416 7.003 -6.567 1.00 0.00 H new ATOM 0 HG22 ILE A 572 3.600 6.070 -5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 572 2.876 7.544 -4.936 1.00 0.00 H new ATOM 0 HD11 ILE A 572 2.596 10.253 -8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 572 3.542 8.876 -8.857 1.00 0.00 H new ATOM 0 HD13 ILE A 572 2.119 8.590 -7.828 1.00 0.00 H new ATOM 1353 N LEU A 573 4.258 7.884 -3.374 1.00 0.00 N ATOM 1354 CA LEU A 573 3.725 8.390 -2.115 1.00 0.00 C ATOM 1355 C LEU A 573 4.829 9.058 -1.302 1.00 0.00 C ATOM 1356 O LEU A 573 4.755 10.248 -0.996 1.00 0.00 O ATOM 1357 CB LEU A 573 3.112 7.242 -1.310 1.00 0.00 C ATOM 1358 CG LEU A 573 2.355 7.797 -0.098 1.00 0.00 C ATOM 1359 CD1 LEU A 573 1.091 8.537 -0.559 1.00 0.00 C ATOM 1360 CD2 LEU A 573 1.960 6.638 0.822 1.00 0.00 C ATOM 0 H LEU A 573 3.996 6.922 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 573 2.954 9.128 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 573 2.434 6.666 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 573 3.895 6.560 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 573 2.998 8.494 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 573 0.561 8.927 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 573 1.371 9.362 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 573 0.443 7.848 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 573 1.421 7.027 1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 573 1.320 5.943 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 573 2.857 6.118 1.158 1.00 0.00 H new ATOM 1372 N TYR A 574 5.853 8.285 -0.957 1.00 0.00 N ATOM 1373 CA TYR A 574 6.972 8.811 -0.183 1.00 0.00 C ATOM 1374 C TYR A 574 7.974 9.501 -1.105 1.00 0.00 C ATOM 1375 O TYR A 574 9.072 9.862 -0.683 1.00 0.00 O ATOM 1376 CB TYR A 574 7.666 7.669 0.574 1.00 0.00 C ATOM 1377 CG TYR A 574 7.015 7.480 1.926 1.00 0.00 C ATOM 1378 CD1 TYR A 574 5.620 7.418 2.030 1.00 0.00 C ATOM 1379 CD2 TYR A 574 7.807 7.365 3.074 1.00 0.00 C ATOM 1380 CE1 TYR A 574 5.018 7.242 3.281 1.00 0.00 C ATOM 1381 CE2 TYR A 574 7.206 7.189 4.325 1.00 0.00 C ATOM 1382 CZ TYR A 574 5.811 7.128 4.429 1.00 0.00 C ATOM 1383 OH TYR A 574 5.218 6.954 5.663 1.00 0.00 O ATOM 0 H TYR A 574 5.932 7.297 -1.199 1.00 0.00 H new ATOM 0 HA TYR A 574 6.591 9.539 0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 574 7.602 6.746 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 574 8.725 7.894 0.699 1.00 0.00 H new ATOM 0 HD1 TYR A 574 5.008 7.506 1.144 1.00 0.00 H new ATOM 0 HD2 TYR A 574 8.883 7.412 2.994 1.00 0.00 H new ATOM 0 HE1 TYR A 574 3.942 7.194 3.361 1.00 0.00 H new ATOM 0 HE2 TYR A 574 7.818 7.100 5.210 1.00 0.00 H new ATOM 0 HH TYR A 574 5.911 6.892 6.353 1.00 0.00 H new ATOM 1393 N MET A 575 7.586 9.680 -2.363 1.00 0.00 N ATOM 1394 CA MET A 575 8.457 10.327 -3.337 1.00 0.00 C ATOM 1395 C MET A 575 9.806 9.618 -3.401 1.00 0.00 C ATOM 1396 O MET A 575 10.030 8.769 -4.264 1.00 0.00 O ATOM 1397 CB MET A 575 8.667 11.794 -2.958 1.00 0.00 C ATOM 1398 CG MET A 575 7.374 12.574 -3.200 1.00 0.00 C ATOM 1399 SD MET A 575 7.528 14.233 -2.494 1.00 0.00 S ATOM 1400 CE MET A 575 6.349 15.056 -3.593 1.00 0.00 C ATOM 0 H MET A 575 6.680 9.388 -2.730 1.00 0.00 H new ATOM 0 HA MET A 575 7.982 10.270 -4.316 1.00 0.00 H new ATOM 0 HB2 MET A 575 8.960 11.872 -1.911 1.00 0.00 H new ATOM 0 HB3 MET A 575 9.478 12.221 -3.549 1.00 0.00 H new ATOM 0 HG2 MET A 575 7.171 12.640 -4.269 1.00 0.00 H new ATOM 0 HG3 MET A 575 6.531 12.051 -2.747 1.00 0.00 H new ATOM 0 HE1 MET A 575 6.284 16.112 -3.332 1.00 0.00 H new ATOM 0 HE2 MET A 575 6.684 14.958 -4.625 1.00 0.00 H new ATOM 0 HE3 MET A 575 5.367 14.595 -3.485 1.00 0.00 H new ATOM 1410 N GLY A 576 10.699 9.971 -2.483 1.00 0.00 N ATOM 1411 CA GLY A 576 12.024 9.362 -2.443 1.00 0.00 C ATOM 1412 C GLY A 576 13.054 10.340 -1.888 1.00 0.00 C ATOM 1413 O GLY A 576 14.194 10.386 -2.352 1.00 0.00 O ATOM 0 H GLY A 576 10.532 10.671 -1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 576 11.998 8.465 -1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 576 12.316 9.050 -3.446 1.00 0.00 H new ATOM 1417 N GLN A 577 12.646 11.120 -0.893 1.00 0.00 N ATOM 1418 CA GLN A 577 13.542 12.095 -0.283 1.00 0.00 C ATOM 1419 C GLN A 577 13.045 12.480 1.108 1.00 0.00 C ATOM 1420 O GLN A 577 11.930 12.977 1.265 1.00 0.00 O ATOM 1421 CB GLN A 577 13.631 13.345 -1.163 1.00 0.00 C ATOM 1422 CG GLN A 577 12.244 13.683 -1.715 1.00 0.00 C ATOM 1423 CD GLN A 577 12.301 14.984 -2.508 1.00 0.00 C ATOM 1424 OE1 GLN A 577 12.781 15.999 -2.005 1.00 0.00 O ATOM 1425 NE2 GLN A 577 11.834 15.014 -3.726 1.00 0.00 N ATOM 0 H GLN A 577 11.708 11.097 -0.494 1.00 0.00 H new ATOM 0 HA GLN A 577 14.531 11.647 -0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 577 14.017 14.183 -0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 577 14.329 13.176 -1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 577 11.891 12.873 -2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 577 11.531 13.778 -0.896 1.00 0.00 H new ATOM 0 HE21 GLN A 577 11.437 14.171 -4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 577 11.866 15.880 -4.263 1.00 0.00 H new ATOM 1434 N GLY A 578 13.882 12.247 2.115 1.00 0.00 N ATOM 1435 CA GLY A 578 13.523 12.574 3.493 1.00 0.00 C ATOM 1436 C GLY A 578 13.897 11.436 4.437 1.00 0.00 C ATOM 1437 O GLY A 578 13.722 10.262 4.109 1.00 0.00 O ATOM 0 H GLY A 578 14.809 11.835 2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 578 14.032 13.488 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 578 12.453 12.769 3.558 1.00 0.00 H new ATOM 1441 N GLU A 579 14.413 11.791 5.609 1.00 0.00 N ATOM 1442 CA GLU A 579 14.807 10.790 6.593 1.00 0.00 C ATOM 1443 C GLU A 579 13.665 9.813 6.849 1.00 0.00 C ATOM 1444 O GLU A 579 13.870 8.733 7.404 1.00 0.00 O ATOM 1445 CB GLU A 579 15.203 11.472 7.904 1.00 0.00 C ATOM 1446 CG GLU A 579 16.558 12.162 7.733 1.00 0.00 C ATOM 1447 CD GLU A 579 17.012 12.754 9.063 1.00 0.00 C ATOM 1448 OE1 GLU A 579 16.330 12.535 10.050 1.00 0.00 O ATOM 1449 OE2 GLU A 579 18.034 13.420 9.073 1.00 0.00 O ATOM 0 H GLU A 579 14.567 12.757 5.899 1.00 0.00 H new ATOM 0 HA GLU A 579 15.661 10.238 6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 579 14.445 12.202 8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 579 15.256 10.737 8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 579 17.297 11.446 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 579 16.483 12.948 6.982 1.00 0.00 H new ATOM 1456 N GLN A 580 12.460 10.199 6.440 1.00 0.00 N ATOM 1457 CA GLN A 580 11.293 9.347 6.631 1.00 0.00 C ATOM 1458 C GLN A 580 11.523 7.979 5.998 1.00 0.00 C ATOM 1459 O GLN A 580 11.102 6.956 6.539 1.00 0.00 O ATOM 1460 CB GLN A 580 10.059 10.002 6.002 1.00 0.00 C ATOM 1461 CG GLN A 580 9.589 11.160 6.884 1.00 0.00 C ATOM 1462 CD GLN A 580 8.323 11.779 6.300 1.00 0.00 C ATOM 1463 OE1 GLN A 580 8.307 12.964 5.967 1.00 0.00 O ATOM 1464 NE2 GLN A 580 7.256 11.043 6.158 1.00 0.00 N ATOM 0 H GLN A 580 12.268 11.088 5.978 1.00 0.00 H new ATOM 0 HA GLN A 580 11.130 9.218 7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 580 10.297 10.366 5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 580 9.261 9.268 5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 580 9.396 10.803 7.895 1.00 0.00 H new ATOM 0 HG3 GLN A 580 10.373 11.914 6.957 1.00 0.00 H new ATOM 0 HE21 GLN A 580 7.273 10.061 6.435 1.00 0.00 H new ATOM 0 HE22 GLN A 580 6.404 11.449 5.770 1.00 0.00 H new ATOM 1473 N VAL A 581 12.198 7.968 4.854 1.00 0.00 N ATOM 1474 CA VAL A 581 12.481 6.718 4.159 1.00 0.00 C ATOM 1475 C VAL A 581 13.414 5.847 4.993 1.00 0.00 C ATOM 1476 O VAL A 581 13.278 4.625 5.020 1.00 0.00 O ATOM 1477 CB VAL A 581 13.127 7.006 2.802 1.00 0.00 C ATOM 1478 CG1 VAL A 581 13.514 5.688 2.130 1.00 0.00 C ATOM 1479 CG2 VAL A 581 12.132 7.755 1.914 1.00 0.00 C ATOM 0 H VAL A 581 12.557 8.803 4.391 1.00 0.00 H new ATOM 0 HA VAL A 581 11.541 6.187 4.006 1.00 0.00 H new ATOM 0 HB VAL A 581 14.019 7.616 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 581 13.974 5.894 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 581 14.222 5.151 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 581 12.622 5.078 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 581 12.591 7.961 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 581 11.241 7.144 1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 581 11.854 8.695 2.391 1.00 0.00 H new ATOM 1489 N ASP A 582 14.361 6.484 5.673 1.00 0.00 N ATOM 1490 CA ASP A 582 15.312 5.756 6.505 1.00 0.00 C ATOM 1491 C ASP A 582 14.581 4.932 7.559 1.00 0.00 C ATOM 1492 O ASP A 582 14.929 3.778 7.811 1.00 0.00 O ATOM 1493 CB ASP A 582 16.263 6.738 7.191 1.00 0.00 C ATOM 1494 CG ASP A 582 17.462 5.989 7.762 1.00 0.00 C ATOM 1495 OD1 ASP A 582 18.215 5.432 6.980 1.00 0.00 O ATOM 1496 OD2 ASP A 582 17.610 5.980 8.973 1.00 0.00 O ATOM 0 H ASP A 582 14.490 7.496 5.665 1.00 0.00 H new ATOM 0 HA ASP A 582 15.884 5.082 5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 582 16.600 7.490 6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 582 15.740 7.267 7.988 1.00 0.00 H new ATOM 1501 N ASP A 583 13.565 5.530 8.173 1.00 0.00 N ATOM 1502 CA ASP A 583 12.791 4.840 9.199 1.00 0.00 C ATOM 1503 C ASP A 583 12.086 3.624 8.607 1.00 0.00 C ATOM 1504 O ASP A 583 12.182 2.519 9.139 1.00 0.00 O ATOM 1505 CB ASP A 583 11.755 5.792 9.800 1.00 0.00 C ATOM 1506 CG ASP A 583 11.164 5.184 11.069 1.00 0.00 C ATOM 1507 OD1 ASP A 583 11.899 4.518 11.781 1.00 0.00 O ATOM 1508 OD2 ASP A 583 9.987 5.394 11.310 1.00 0.00 O ATOM 0 H ASP A 583 13.260 6.484 7.980 1.00 0.00 H new ATOM 0 HA ASP A 583 13.473 4.506 9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 583 12.219 6.751 10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 583 10.963 5.985 9.076 1.00 0.00 H new ATOM 1513 N VAL A 584 11.376 3.837 7.504 1.00 0.00 N ATOM 1514 CA VAL A 584 10.657 2.751 6.848 1.00 0.00 C ATOM 1515 C VAL A 584 11.623 1.654 6.414 1.00 0.00 C ATOM 1516 O VAL A 584 11.365 0.468 6.620 1.00 0.00 O ATOM 1517 CB VAL A 584 9.907 3.284 5.626 1.00 0.00 C ATOM 1518 CG1 VAL A 584 9.130 2.145 4.964 1.00 0.00 C ATOM 1519 CG2 VAL A 584 8.931 4.378 6.067 1.00 0.00 C ATOM 0 H VAL A 584 11.283 4.745 7.048 1.00 0.00 H new ATOM 0 HA VAL A 584 9.944 2.332 7.558 1.00 0.00 H new ATOM 0 HB VAL A 584 10.621 3.697 4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 584 8.596 2.526 4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 584 9.824 1.365 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 584 8.415 1.731 5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 584 8.395 4.760 5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 584 8.218 3.964 6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 584 9.484 5.191 6.538 1.00 0.00 H new ATOM 1529 N LEU A 585 12.736 2.058 5.811 1.00 0.00 N ATOM 1530 CA LEU A 585 13.734 1.102 5.349 1.00 0.00 C ATOM 1531 C LEU A 585 14.281 0.297 6.525 1.00 0.00 C ATOM 1532 O LEU A 585 14.759 -0.825 6.354 1.00 0.00 O ATOM 1533 CB LEU A 585 14.878 1.847 4.645 1.00 0.00 C ATOM 1534 CG LEU A 585 15.428 1.001 3.487 1.00 0.00 C ATOM 1535 CD1 LEU A 585 14.438 1.004 2.314 1.00 0.00 C ATOM 1536 CD2 LEU A 585 16.764 1.587 3.026 1.00 0.00 C ATOM 0 H LEU A 585 12.968 3.035 5.632 1.00 0.00 H new ATOM 0 HA LEU A 585 13.266 0.415 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 585 14.520 2.805 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 585 15.674 2.063 5.358 1.00 0.00 H new ATOM 0 HG LEU A 585 15.570 -0.024 3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 585 14.838 0.401 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 585 13.486 0.586 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 585 14.286 2.027 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 585 17.159 0.990 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 585 16.615 2.613 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 585 17.472 1.576 3.855 1.00 0.00 H new ATOM 1548 N GLU A 586 14.203 0.876 7.720 1.00 0.00 N ATOM 1549 CA GLU A 586 14.689 0.202 8.919 1.00 0.00 C ATOM 1550 C GLU A 586 13.735 -0.918 9.322 1.00 0.00 C ATOM 1551 O GLU A 586 14.166 -2.007 9.699 1.00 0.00 O ATOM 1552 CB GLU A 586 14.818 1.205 10.067 1.00 0.00 C ATOM 1553 CG GLU A 586 15.637 0.585 11.200 1.00 0.00 C ATOM 1554 CD GLU A 586 17.117 0.580 10.832 1.00 0.00 C ATOM 1555 OE1 GLU A 586 17.432 0.966 9.718 1.00 0.00 O ATOM 1556 OE2 GLU A 586 17.914 0.192 11.669 1.00 0.00 O ATOM 0 H GLU A 586 13.811 1.803 7.883 1.00 0.00 H new ATOM 0 HA GLU A 586 15.667 -0.227 8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 586 15.299 2.117 9.714 1.00 0.00 H new ATOM 0 HB3 GLU A 586 13.830 1.486 10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 586 15.485 1.149 12.120 1.00 0.00 H new ATOM 0 HG3 GLU A 586 15.298 -0.433 11.390 1.00 0.00 H new ATOM 1563 N THR A 587 12.438 -0.640 9.238 1.00 0.00 N ATOM 1564 CA THR A 587 11.431 -1.632 9.594 1.00 0.00 C ATOM 1565 C THR A 587 11.490 -2.817 8.637 1.00 0.00 C ATOM 1566 O THR A 587 11.542 -3.971 9.064 1.00 0.00 O ATOM 1567 CB THR A 587 10.037 -1.002 9.545 1.00 0.00 C ATOM 1568 OG1 THR A 587 9.949 0.022 10.527 1.00 0.00 O ATOM 1569 CG2 THR A 587 8.980 -2.072 9.824 1.00 0.00 C ATOM 0 H THR A 587 12.062 0.256 8.929 1.00 0.00 H new ATOM 0 HA THR A 587 11.634 -1.984 10.605 1.00 0.00 H new ATOM 0 HB THR A 587 9.865 -0.575 8.557 1.00 0.00 H new ATOM 0 HG1 THR A 587 9.058 0.428 10.497 1.00 0.00 H new ATOM 0 HG21 THR A 587 7.988 -1.621 9.789 1.00 0.00 H new ATOM 0 HG22 THR A 587 9.049 -2.857 9.071 1.00 0.00 H new ATOM 0 HG23 THR A 587 9.149 -2.501 10.812 1.00 0.00 H new ATOM 1577 N ILE A 588 11.482 -2.525 7.340 1.00 0.00 N ATOM 1578 CA ILE A 588 11.537 -3.576 6.331 1.00 0.00 C ATOM 1579 C ILE A 588 12.740 -4.483 6.569 1.00 0.00 C ATOM 1580 O ILE A 588 12.614 -5.707 6.584 1.00 0.00 O ATOM 1581 CB ILE A 588 11.630 -2.957 4.936 1.00 0.00 C ATOM 1582 CG1 ILE A 588 10.353 -2.166 4.644 1.00 0.00 C ATOM 1583 CG2 ILE A 588 11.790 -4.065 3.893 1.00 0.00 C ATOM 1584 CD1 ILE A 588 10.563 -1.296 3.404 1.00 0.00 C ATOM 0 H ILE A 588 11.438 -1.577 6.966 1.00 0.00 H new ATOM 0 HA ILE A 588 10.627 -4.171 6.403 1.00 0.00 H new ATOM 0 HB ILE A 588 12.491 -2.290 4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 588 9.518 -2.849 4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 588 10.096 -1.542 5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 588 11.856 -3.622 2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 588 12.699 -4.631 4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 588 10.929 -4.732 3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 588 9.653 -0.733 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 588 11.386 -0.604 3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 588 10.800 -1.931 2.550 1.00 0.00 H new ATOM 1596 N SER A 589 13.906 -3.873 6.756 1.00 0.00 N ATOM 1597 CA SER A 589 15.126 -4.634 6.995 1.00 0.00 C ATOM 1598 C SER A 589 14.904 -5.670 8.092 1.00 0.00 C ATOM 1599 O SER A 589 15.238 -6.843 7.928 1.00 0.00 O ATOM 1600 CB SER A 589 16.258 -3.691 7.402 1.00 0.00 C ATOM 1601 OG SER A 589 17.384 -4.458 7.809 1.00 0.00 O ATOM 0 H SER A 589 14.031 -2.861 6.747 1.00 0.00 H new ATOM 0 HA SER A 589 15.397 -5.150 6.074 1.00 0.00 H new ATOM 0 HB2 SER A 589 16.527 -3.044 6.567 1.00 0.00 H new ATOM 0 HB3 SER A 589 15.932 -3.042 8.215 1.00 0.00 H new ATOM 0 HG SER A 589 18.113 -3.857 8.069 1.00 0.00 H new ATOM 1607 N ALA A 590 14.338 -5.227 9.209 1.00 0.00 N ATOM 1608 CA ALA A 590 14.074 -6.125 10.327 1.00 0.00 C ATOM 1609 C ALA A 590 13.302 -7.353 9.856 1.00 0.00 C ATOM 1610 O ALA A 590 13.530 -8.464 10.333 1.00 0.00 O ATOM 1611 CB ALA A 590 13.271 -5.396 11.407 1.00 0.00 C ATOM 0 H ALA A 590 14.055 -4.259 9.364 1.00 0.00 H new ATOM 0 HA ALA A 590 15.029 -6.447 10.743 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.079 -6.075 12.238 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.838 -4.537 11.764 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.323 -5.057 10.989 1.00 0.00 H new ATOM 1617 N ILE A 591 12.386 -7.143 8.914 1.00 0.00 N ATOM 1618 CA ILE A 591 11.581 -8.238 8.378 1.00 0.00 C ATOM 1619 C ILE A 591 11.552 -8.182 6.854 1.00 0.00 C ATOM 1620 O ILE A 591 10.615 -7.649 6.260 1.00 0.00 O ATOM 1621 CB ILE A 591 10.152 -8.149 8.916 1.00 0.00 C ATOM 1622 CG1 ILE A 591 10.179 -8.192 10.447 1.00 0.00 C ATOM 1623 CG2 ILE A 591 9.334 -9.330 8.388 1.00 0.00 C ATOM 1624 CD1 ILE A 591 8.786 -7.874 10.992 1.00 0.00 C ATOM 0 H ILE A 591 12.183 -6.230 8.508 1.00 0.00 H new ATOM 0 HA ILE A 591 12.030 -9.181 8.691 1.00 0.00 H new ATOM 0 HB ILE A 591 9.697 -7.215 8.586 1.00 0.00 H new ATOM 0 HG12 ILE A 591 10.498 -9.177 10.788 1.00 0.00 H new ATOM 0 HG13 ILE A 591 10.903 -7.472 10.829 1.00 0.00 H new ATOM 0 HG21 ILE A 591 8.315 -9.267 8.771 1.00 0.00 H new ATOM 0 HG22 ILE A 591 9.314 -9.301 7.299 1.00 0.00 H new ATOM 0 HG23 ILE A 591 9.789 -10.264 8.718 1.00 0.00 H new ATOM 0 HD11 ILE A 591 8.806 -7.905 12.081 1.00 0.00 H new ATOM 0 HD12 ILE A 591 8.485 -6.880 10.662 1.00 0.00 H new ATOM 0 HD13 ILE A 591 8.073 -8.611 10.621 1.00 0.00 H new ATOM 1636 N GLU A 592 12.588 -8.735 6.227 1.00 0.00 N ATOM 1637 CA GLU A 592 12.677 -8.744 4.768 1.00 0.00 C ATOM 1638 C GLU A 592 12.987 -10.147 4.258 1.00 0.00 C ATOM 1639 O GLU A 592 13.738 -10.894 4.886 1.00 0.00 O ATOM 1640 CB GLU A 592 13.772 -7.777 4.308 1.00 0.00 C ATOM 1641 CG GLU A 592 15.144 -8.297 4.753 1.00 0.00 C ATOM 1642 CD GLU A 592 15.673 -9.315 3.747 1.00 0.00 C ATOM 1643 OE1 GLU A 592 15.804 -8.960 2.588 1.00 0.00 O ATOM 1644 OE2 GLU A 592 15.939 -10.435 4.151 1.00 0.00 O ATOM 0 H GLU A 592 13.373 -9.180 6.702 1.00 0.00 H new ATOM 0 HA GLU A 592 11.717 -8.427 4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 592 13.746 -7.673 3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 592 13.595 -6.786 4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 592 15.844 -7.466 4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 592 15.065 -8.756 5.739 1.00 0.00 H new ATOM 1651 N HIS A 593 12.404 -10.496 3.115 1.00 0.00 N ATOM 1652 CA HIS A 593 12.621 -11.812 2.520 1.00 0.00 C ATOM 1653 C HIS A 593 13.454 -11.683 1.245 1.00 0.00 C ATOM 1654 O HIS A 593 13.489 -10.620 0.625 1.00 0.00 O ATOM 1655 CB HIS A 593 11.268 -12.462 2.196 1.00 0.00 C ATOM 1656 CG HIS A 593 10.823 -13.315 3.353 1.00 0.00 C ATOM 1657 ND1 HIS A 593 11.073 -14.678 3.405 1.00 0.00 N ATOM 1658 CD2 HIS A 593 10.144 -13.015 4.507 1.00 0.00 C ATOM 1659 CE1 HIS A 593 10.552 -15.142 4.557 1.00 0.00 C ATOM 1660 NE2 HIS A 593 9.973 -14.169 5.266 1.00 0.00 N ATOM 0 H HIS A 593 11.780 -9.889 2.583 1.00 0.00 H new ATOM 0 HA HIS A 593 13.161 -12.438 3.230 1.00 0.00 H new ATOM 0 HB2 HIS A 593 10.524 -11.692 1.992 1.00 0.00 H new ATOM 0 HB3 HIS A 593 11.353 -13.070 1.295 1.00 0.00 H new ATOM 0 HD2 HIS A 593 9.795 -12.031 4.785 1.00 0.00 H new ATOM 0 HE1 HIS A 593 10.597 -16.175 4.870 1.00 0.00 H new ATOM 0 HE2 HIS A 593 9.506 -14.254 6.169 1.00 0.00 H new ATOM 1668 N PRO A 594 14.123 -12.735 0.847 1.00 0.00 N ATOM 1669 CA PRO A 594 14.971 -12.731 -0.377 1.00 0.00 C ATOM 1670 C PRO A 594 14.276 -12.039 -1.547 1.00 0.00 C ATOM 1671 O PRO A 594 14.923 -11.633 -2.514 1.00 0.00 O ATOM 1672 CB PRO A 594 15.218 -14.222 -0.680 1.00 0.00 C ATOM 1673 CG PRO A 594 14.497 -15.008 0.380 1.00 0.00 C ATOM 1674 CD PRO A 594 14.149 -14.040 1.511 1.00 0.00 C ATOM 0 HA PRO A 594 15.898 -12.177 -0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 594 14.848 -14.481 -1.672 1.00 0.00 H new ATOM 0 HB3 PRO A 594 16.285 -14.447 -0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 594 13.594 -15.463 -0.027 1.00 0.00 H new ATOM 0 HG3 PRO A 594 15.124 -15.820 0.749 1.00 0.00 H new ATOM 0 HD2 PRO A 594 13.187 -14.280 1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 594 14.892 -14.070 2.308 1.00 0.00 H new ATOM 1682 N MET A 595 12.957 -11.908 -1.452 1.00 0.00 N ATOM 1683 CA MET A 595 12.181 -11.264 -2.508 1.00 0.00 C ATOM 1684 C MET A 595 12.010 -9.776 -2.212 1.00 0.00 C ATOM 1685 O MET A 595 12.278 -8.929 -3.064 1.00 0.00 O ATOM 1686 CB MET A 595 10.805 -11.932 -2.624 1.00 0.00 C ATOM 1687 CG MET A 595 10.309 -11.853 -4.071 1.00 0.00 C ATOM 1688 SD MET A 595 10.436 -10.147 -4.663 1.00 0.00 S ATOM 1689 CE MET A 595 10.829 -10.532 -6.388 1.00 0.00 C ATOM 0 H MET A 595 12.405 -12.237 -0.660 1.00 0.00 H new ATOM 0 HA MET A 595 12.716 -11.374 -3.451 1.00 0.00 H new ATOM 0 HB2 MET A 595 10.869 -12.973 -2.308 1.00 0.00 H new ATOM 0 HB3 MET A 595 10.095 -11.440 -1.959 1.00 0.00 H new ATOM 0 HG2 MET A 595 10.900 -12.514 -4.705 1.00 0.00 H new ATOM 0 HG3 MET A 595 9.275 -12.194 -4.131 1.00 0.00 H new ATOM 0 HE1 MET A 595 10.952 -9.605 -6.949 1.00 0.00 H new ATOM 0 HE2 MET A 595 11.754 -11.108 -6.431 1.00 0.00 H new ATOM 0 HE3 MET A 595 10.018 -11.115 -6.825 1.00 0.00 H new ATOM 1699 N THR A 596 11.561 -9.467 -1.001 1.00 0.00 N ATOM 1700 CA THR A 596 11.357 -8.079 -0.602 1.00 0.00 C ATOM 1701 C THR A 596 12.657 -7.289 -0.723 1.00 0.00 C ATOM 1702 O THR A 596 12.640 -6.081 -0.955 1.00 0.00 O ATOM 1703 CB THR A 596 10.852 -8.019 0.841 1.00 0.00 C ATOM 1704 OG1 THR A 596 9.786 -8.942 1.008 1.00 0.00 O ATOM 1705 CG2 THR A 596 10.360 -6.605 1.151 1.00 0.00 C ATOM 0 H THR A 596 11.332 -10.154 -0.282 1.00 0.00 H new ATOM 0 HA THR A 596 10.614 -7.636 -1.265 1.00 0.00 H new ATOM 0 HB THR A 596 11.663 -8.276 1.522 1.00 0.00 H new ATOM 0 HG1 THR A 596 9.463 -8.905 1.933 1.00 0.00 H new ATOM 0 HG21 THR A 596 10.000 -6.562 2.179 1.00 0.00 H new ATOM 0 HG22 THR A 596 11.180 -5.898 1.024 1.00 0.00 H new ATOM 0 HG23 THR A 596 9.548 -6.345 0.471 1.00 0.00 H new ATOM 1713 N SER A 597 13.780 -7.980 -0.562 1.00 0.00 N ATOM 1714 CA SER A 597 15.083 -7.332 -0.655 1.00 0.00 C ATOM 1715 C SER A 597 15.162 -6.461 -1.906 1.00 0.00 C ATOM 1716 O SER A 597 15.885 -5.465 -1.936 1.00 0.00 O ATOM 1717 CB SER A 597 16.188 -8.387 -0.695 1.00 0.00 C ATOM 1718 OG SER A 597 15.902 -9.403 0.257 1.00 0.00 O ATOM 0 H SER A 597 13.815 -8.981 -0.368 1.00 0.00 H new ATOM 0 HA SER A 597 15.216 -6.699 0.222 1.00 0.00 H new ATOM 0 HB2 SER A 597 16.259 -8.818 -1.694 1.00 0.00 H new ATOM 0 HB3 SER A 597 17.152 -7.929 -0.476 1.00 0.00 H new ATOM 0 HG SER A 597 16.095 -9.070 1.158 1.00 0.00 H new ATOM 1724 N ALA A 598 14.416 -6.846 -2.936 1.00 0.00 N ATOM 1725 CA ALA A 598 14.411 -6.094 -4.186 1.00 0.00 C ATOM 1726 C ALA A 598 13.872 -4.685 -3.965 1.00 0.00 C ATOM 1727 O ALA A 598 14.438 -3.710 -4.459 1.00 0.00 O ATOM 1728 CB ALA A 598 13.550 -6.817 -5.223 1.00 0.00 C ATOM 0 H ALA A 598 13.812 -7.668 -2.931 1.00 0.00 H new ATOM 0 HA ALA A 598 15.436 -6.022 -4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 598 13.550 -6.251 -6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 598 13.956 -7.812 -5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 598 12.529 -6.904 -4.851 1.00 0.00 H new ATOM 1734 N ILE A 599 12.775 -4.584 -3.221 1.00 0.00 N ATOM 1735 CA ILE A 599 12.169 -3.287 -2.943 1.00 0.00 C ATOM 1736 C ILE A 599 13.072 -2.456 -2.036 1.00 0.00 C ATOM 1737 O ILE A 599 13.166 -1.237 -2.186 1.00 0.00 O ATOM 1738 CB ILE A 599 10.808 -3.479 -2.273 1.00 0.00 C ATOM 1739 CG1 ILE A 599 9.865 -4.207 -3.234 1.00 0.00 C ATOM 1740 CG2 ILE A 599 10.216 -2.114 -1.919 1.00 0.00 C ATOM 1741 CD1 ILE A 599 8.640 -4.707 -2.466 1.00 0.00 C ATOM 0 H ILE A 599 12.291 -5.378 -2.803 1.00 0.00 H new ATOM 0 HA ILE A 599 12.037 -2.759 -3.888 1.00 0.00 H new ATOM 0 HB ILE A 599 10.931 -4.069 -1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 599 9.556 -3.536 -4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 599 10.381 -5.045 -3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 599 9.246 -2.251 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 599 10.886 -1.593 -1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 599 10.093 -1.524 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 599 7.968 -5.225 -3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 599 8.958 -5.393 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 599 8.120 -3.860 -2.019 1.00 0.00 H new ATOM 1753 N GLU A 600 13.733 -3.123 -1.095 1.00 0.00 N ATOM 1754 CA GLU A 600 14.625 -2.435 -0.168 1.00 0.00 C ATOM 1755 C GLU A 600 15.732 -1.708 -0.926 1.00 0.00 C ATOM 1756 O GLU A 600 16.032 -0.548 -0.644 1.00 0.00 O ATOM 1757 CB GLU A 600 15.245 -3.441 0.803 1.00 0.00 C ATOM 1758 CG GLU A 600 15.886 -2.694 1.974 1.00 0.00 C ATOM 1759 CD GLU A 600 16.658 -3.670 2.855 1.00 0.00 C ATOM 1760 OE1 GLU A 600 17.005 -4.732 2.366 1.00 0.00 O ATOM 1761 OE2 GLU A 600 16.892 -3.340 4.006 1.00 0.00 O ATOM 0 H GLU A 600 13.669 -4.131 -0.955 1.00 0.00 H new ATOM 0 HA GLU A 600 14.042 -1.702 0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 600 14.481 -4.126 1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 600 15.994 -4.044 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 600 16.557 -1.921 1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 600 15.117 -2.192 2.561 1.00 0.00 H new ATOM 1768 N VAL A 601 16.335 -2.399 -1.889 1.00 0.00 N ATOM 1769 CA VAL A 601 17.409 -1.810 -2.681 1.00 0.00 C ATOM 1770 C VAL A 601 16.882 -0.653 -3.525 1.00 0.00 C ATOM 1771 O VAL A 601 17.342 0.482 -3.397 1.00 0.00 O ATOM 1772 CB VAL A 601 18.026 -2.871 -3.593 1.00 0.00 C ATOM 1773 CG1 VAL A 601 19.090 -2.225 -4.484 1.00 0.00 C ATOM 1774 CG2 VAL A 601 18.673 -3.962 -2.737 1.00 0.00 C ATOM 0 H VAL A 601 16.100 -3.360 -2.138 1.00 0.00 H new ATOM 0 HA VAL A 601 18.170 -1.429 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 601 17.248 -3.310 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 601 19.529 -2.982 -5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 601 18.631 -1.446 -5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 601 19.869 -1.786 -3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 601 19.114 -4.720 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 601 19.451 -3.522 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 601 17.916 -4.423 -2.102 1.00 0.00 H new ATOM 1784 N LEU A 602 15.916 -0.950 -4.387 1.00 0.00 N ATOM 1785 CA LEU A 602 15.333 0.072 -5.251 1.00 0.00 C ATOM 1786 C LEU A 602 15.083 1.358 -4.463 1.00 0.00 C ATOM 1787 O LEU A 602 15.505 2.438 -4.874 1.00 0.00 O ATOM 1788 CB LEU A 602 14.012 -0.444 -5.847 1.00 0.00 C ATOM 1789 CG LEU A 602 14.047 -0.350 -7.377 1.00 0.00 C ATOM 1790 CD1 LEU A 602 12.846 -1.096 -7.961 1.00 0.00 C ATOM 1791 CD2 LEU A 602 13.986 1.120 -7.802 1.00 0.00 C ATOM 0 H LEU A 602 15.522 -1.883 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 602 16.032 0.290 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 602 13.847 -1.478 -5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 602 13.177 0.140 -5.459 1.00 0.00 H new ATOM 0 HG LEU A 602 14.970 -0.797 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 602 12.870 -1.030 -9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 602 12.887 -2.143 -7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 602 11.924 -0.648 -7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 602 14.011 1.186 -8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 602 13.063 1.568 -7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 602 14.840 1.655 -7.387 1.00 0.00 H new ATOM 1803 N VAL A 603 14.398 1.231 -3.331 1.00 0.00 N ATOM 1804 CA VAL A 603 14.102 2.388 -2.496 1.00 0.00 C ATOM 1805 C VAL A 603 15.340 2.816 -1.715 1.00 0.00 C ATOM 1806 O VAL A 603 15.517 3.995 -1.408 1.00 0.00 O ATOM 1807 CB VAL A 603 12.974 2.052 -1.517 1.00 0.00 C ATOM 1808 CG1 VAL A 603 12.630 3.291 -0.690 1.00 0.00 C ATOM 1809 CG2 VAL A 603 11.737 1.604 -2.301 1.00 0.00 C ATOM 0 H VAL A 603 14.040 0.345 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 603 13.791 3.208 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 603 13.296 1.250 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 603 11.827 3.052 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 603 13.510 3.613 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 603 12.307 4.093 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 603 10.933 1.364 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 603 11.416 2.407 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 603 11.981 0.721 -2.892 1.00 0.00 H new ATOM 1819 N GLY A 604 16.195 1.848 -1.397 1.00 0.00 N ATOM 1820 CA GLY A 604 17.417 2.131 -0.652 1.00 0.00 C ATOM 1821 C GLY A 604 18.550 2.526 -1.593 1.00 0.00 C ATOM 1822 O GLY A 604 19.723 2.465 -1.228 1.00 0.00 O ATOM 0 H GLY A 604 16.065 0.866 -1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 604 17.235 2.935 0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 604 17.708 1.253 -0.075 1.00 0.00 H new ATOM 1826 N SER A 605 18.189 2.932 -2.807 1.00 0.00 N ATOM 1827 CA SER A 605 19.183 3.336 -3.798 1.00 0.00 C ATOM 1828 C SER A 605 18.754 4.626 -4.489 1.00 0.00 C ATOM 1829 O SER A 605 19.476 5.624 -4.466 1.00 0.00 O ATOM 1830 CB SER A 605 19.359 2.233 -4.842 1.00 0.00 C ATOM 1831 OG SER A 605 19.640 1.004 -4.182 1.00 0.00 O ATOM 0 H SER A 605 17.222 2.990 -3.127 1.00 0.00 H new ATOM 0 HA SER A 605 20.130 3.506 -3.286 1.00 0.00 H new ATOM 0 HB2 SER A 605 18.455 2.138 -5.444 1.00 0.00 H new ATOM 0 HB3 SER A 605 20.171 2.487 -5.524 1.00 0.00 H new ATOM 0 HG SER A 605 18.901 0.781 -3.578 1.00 0.00 H new ATOM 1837 N CYS A 606 17.576 4.600 -5.102 1.00 0.00 N ATOM 1838 CA CYS A 606 17.061 5.774 -5.796 1.00 0.00 C ATOM 1839 C CYS A 606 16.562 6.811 -4.795 1.00 0.00 C ATOM 1840 O CYS A 606 15.451 7.326 -4.922 1.00 0.00 O ATOM 1841 CB CYS A 606 15.918 5.371 -6.730 1.00 0.00 C ATOM 1842 SG CYS A 606 15.609 6.705 -7.915 1.00 0.00 S ATOM 0 H CYS A 606 16.963 3.785 -5.133 1.00 0.00 H new ATOM 0 HA CYS A 606 17.870 6.210 -6.382 1.00 0.00 H new ATOM 0 HB2 CYS A 606 16.173 4.452 -7.258 1.00 0.00 H new ATOM 0 HB3 CYS A 606 15.016 5.167 -6.152 1.00 0.00 H new ATOM 0 HG CYS A 606 14.639 6.363 -8.710 1.00 0.00 H new ATOM 1848 N ALA A 607 17.389 7.110 -3.799 1.00 0.00 N ATOM 1849 CA ALA A 607 17.022 8.087 -2.779 1.00 0.00 C ATOM 1850 C ALA A 607 18.270 8.656 -2.110 1.00 0.00 C ATOM 1851 O ALA A 607 19.201 9.097 -2.785 1.00 0.00 O ATOM 1852 CB ALA A 607 16.128 7.429 -1.726 1.00 0.00 C ATOM 0 H ALA A 607 18.312 6.693 -3.676 1.00 0.00 H new ATOM 0 HA ALA A 607 16.479 8.901 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 607 15.858 8.164 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 607 15.224 7.050 -2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 607 16.665 6.604 -1.257 1.00 0.00 H new