USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 484 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 555 GLN : amide:sc= -0.0109 K(o=-3.8,f=-6.1) USER MOD Set 1.2: A 566 HIS : no HE2:sc= -3.81! C(o=-3.8!,f=-9.7!) USER MOD Single : A 530 THR OG1 : rot 180:sc= 0 USER MOD Single : A 531 TYR OH : rot -48:sc= 1.42 USER MOD Single : A 532 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 535 MET CE :methyl 169:sc= -2.47 (180deg=-3.07!) USER MOD Single : A 536 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0593) USER MOD Single : A 544 MET CE :methyl 161:sc= -4.99! (180deg=-6.17!) USER MOD Single : A 545 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 549 MET CE :methyl 161:sc= -7.4! (180deg=-9.03!) USER MOD Single : A 550 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 551 SER OG : rot -53:sc= 1.17 USER MOD Single : A 554 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.45) USER MOD Single : A 557 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.07) USER MOD Single : A 558 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 559 ASN : amide:sc= -0.63 K(o=-0.63,f=-2.6!) USER MOD Single : A 564 GLN : amide:sc= -0.047 K(o=-0.047,f=-0.81) USER MOD Single : A 567 MET CE :methyl -154:sc= -0.245 (180deg=-1.42!) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.3) USER MOD Single : A 574 LYS NZ :NH3+ -167:sc= -0.446 (180deg=-0.813) USER MOD Single : A 575 LYS NZ :NH3+ -125:sc= 0.0432 (180deg=0) USER MOD Single : A 577 GLN : amide:sc= -3.52 X(o=-3.5,f=-3.3!) USER MOD Single : A 578 THR OG1 : rot 81:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 527 69.944 0.798 5.144 1.00 0.00 N ATOM 108 CA PRO A 527 69.419 0.244 3.853 1.00 0.00 C ATOM 109 C PRO A 527 70.408 -0.697 3.157 1.00 0.00 C ATOM 110 O PRO A 527 70.010 -1.547 2.356 1.00 0.00 O ATOM 111 CB PRO A 527 69.171 1.491 3.009 1.00 0.00 C ATOM 112 CG PRO A 527 68.831 2.561 3.992 1.00 0.00 C ATOM 113 CD PRO A 527 69.575 2.225 5.287 1.00 0.00 C ATOM 0 HA PRO A 527 68.530 -0.367 4.009 1.00 0.00 H new ATOM 0 HB2 PRO A 527 70.054 1.756 2.427 1.00 0.00 H new ATOM 0 HB3 PRO A 527 68.358 1.333 2.301 1.00 0.00 H new ATOM 0 HG2 PRO A 527 69.130 3.540 3.617 1.00 0.00 H new ATOM 0 HG3 PRO A 527 67.755 2.601 4.163 1.00 0.00 H new ATOM 0 HD2 PRO A 527 70.458 2.852 5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 527 68.943 2.386 6.161 1.00 0.00 H new ATOM 121 N GLU A 528 71.697 -0.558 3.482 1.00 0.00 N ATOM 122 CA GLU A 528 72.708 -1.506 3.004 1.00 0.00 C ATOM 123 C GLU A 528 72.349 -2.936 3.430 1.00 0.00 C ATOM 124 O GLU A 528 72.668 -3.900 2.731 1.00 0.00 O ATOM 125 CB GLU A 528 74.084 -1.131 3.562 1.00 0.00 C ATOM 126 CG GLU A 528 75.170 -1.939 2.846 1.00 0.00 C ATOM 127 CD GLU A 528 76.530 -1.669 3.482 1.00 0.00 C ATOM 128 OE1 GLU A 528 76.595 -1.618 4.699 1.00 0.00 O ATOM 129 OE2 GLU A 528 77.488 -1.517 2.741 1.00 0.00 O ATOM 0 H GLU A 528 72.062 0.193 4.068 1.00 0.00 H new ATOM 0 HA GLU A 528 72.736 -1.461 1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 528 74.263 -0.064 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 528 74.118 -1.327 4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 528 74.939 -3.003 2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 528 75.195 -1.673 1.789 1.00 0.00 H new ATOM 136 N GLU A 529 71.641 -3.059 4.557 1.00 0.00 N ATOM 137 CA GLU A 529 71.178 -4.362 5.027 1.00 0.00 C ATOM 138 C GLU A 529 70.152 -4.941 4.055 1.00 0.00 C ATOM 139 O GLU A 529 70.170 -6.136 3.758 1.00 0.00 O ATOM 140 CB GLU A 529 70.546 -4.223 6.415 1.00 0.00 C ATOM 141 CG GLU A 529 70.395 -5.609 7.050 1.00 0.00 C ATOM 142 CD GLU A 529 69.668 -5.497 8.386 1.00 0.00 C ATOM 143 OE1 GLU A 529 69.968 -4.577 9.129 1.00 0.00 O ATOM 144 OE2 GLU A 529 68.819 -6.335 8.647 1.00 0.00 O ATOM 0 H GLU A 529 71.379 -2.276 5.155 1.00 0.00 H new ATOM 0 HA GLU A 529 72.033 -5.035 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 529 71.167 -3.588 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 529 69.572 -3.740 6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 529 69.841 -6.266 6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 529 71.377 -6.059 7.198 1.00 0.00 H new ATOM 151 N THR A 530 69.280 -4.075 3.532 1.00 0.00 N ATOM 152 CA THR A 530 68.272 -4.500 2.558 1.00 0.00 C ATOM 153 C THR A 530 68.936 -5.089 1.315 1.00 0.00 C ATOM 154 O THR A 530 68.523 -6.135 0.815 1.00 0.00 O ATOM 155 CB THR A 530 67.399 -3.307 2.153 1.00 0.00 C ATOM 156 OG1 THR A 530 66.985 -2.608 3.318 1.00 0.00 O ATOM 157 CG2 THR A 530 66.168 -3.804 1.390 1.00 0.00 C ATOM 0 H THR A 530 69.251 -3.082 3.765 1.00 0.00 H new ATOM 0 HA THR A 530 67.651 -5.266 3.022 1.00 0.00 H new ATOM 0 HB THR A 530 67.974 -2.639 1.512 1.00 0.00 H new ATOM 0 HG1 THR A 530 66.428 -1.844 3.060 1.00 0.00 H new ATOM 0 HG21 THR A 530 65.550 -2.953 1.104 1.00 0.00 H new ATOM 0 HG22 THR A 530 66.486 -4.339 0.495 1.00 0.00 H new ATOM 0 HG23 THR A 530 65.591 -4.474 2.027 1.00 0.00 H new ATOM 165 N TYR A 531 69.987 -4.421 0.838 1.00 0.00 N ATOM 166 CA TYR A 531 70.721 -4.884 -0.341 1.00 0.00 C ATOM 167 C TYR A 531 71.271 -6.297 -0.134 1.00 0.00 C ATOM 168 O TYR A 531 71.080 -7.171 -0.979 1.00 0.00 O ATOM 169 CB TYR A 531 71.876 -3.923 -0.640 1.00 0.00 C ATOM 170 CG TYR A 531 72.588 -4.208 -1.941 1.00 0.00 C ATOM 171 CD1 TYR A 531 72.147 -3.595 -3.137 1.00 0.00 C ATOM 172 CD2 TYR A 531 73.698 -5.088 -1.962 1.00 0.00 C ATOM 173 CE1 TYR A 531 72.818 -3.859 -4.356 1.00 0.00 C ATOM 174 CE2 TYR A 531 74.367 -5.353 -3.181 1.00 0.00 C ATOM 175 CZ TYR A 531 73.927 -4.739 -4.378 1.00 0.00 C ATOM 176 OH TYR A 531 74.580 -4.996 -5.567 1.00 0.00 O ATOM 0 H TYR A 531 70.349 -3.560 1.248 1.00 0.00 H new ATOM 0 HA TYR A 531 70.030 -4.907 -1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 531 71.491 -2.904 -0.664 1.00 0.00 H new ATOM 0 HB3 TYR A 531 72.597 -3.972 0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 531 71.299 -2.926 -3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 531 74.034 -5.556 -1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 531 72.484 -3.389 -5.269 1.00 0.00 H new ATOM 0 HE2 TYR A 531 75.213 -6.024 -3.198 1.00 0.00 H new ATOM 0 HH TYR A 531 73.923 -5.217 -6.260 1.00 0.00 H new ATOM 186 N GLN A 532 71.928 -6.523 1.005 1.00 0.00 N ATOM 187 CA GLN A 532 72.514 -7.836 1.299 1.00 0.00 C ATOM 188 C GLN A 532 71.444 -8.932 1.306 1.00 0.00 C ATOM 189 O GLN A 532 71.642 -10.010 0.737 1.00 0.00 O ATOM 190 CB GLN A 532 73.226 -7.803 2.652 1.00 0.00 C ATOM 191 CG GLN A 532 74.431 -6.863 2.567 1.00 0.00 C ATOM 192 CD GLN A 532 75.210 -6.878 3.881 1.00 0.00 C ATOM 193 OE1 GLN A 532 75.206 -7.879 4.599 1.00 0.00 O ATOM 194 NE2 GLN A 532 75.885 -5.820 4.238 1.00 0.00 N ATOM 0 H GLN A 532 72.068 -5.823 1.734 1.00 0.00 H new ATOM 0 HA GLN A 532 73.235 -8.065 0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 532 72.540 -7.464 3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 532 73.551 -8.806 2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 532 75.082 -7.168 1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 532 74.095 -5.850 2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 532 75.888 -4.992 3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 532 76.410 -5.821 5.112 1.00 0.00 H new ATOM 203 N ARG A 533 70.283 -8.631 1.890 1.00 0.00 N ATOM 204 CA ARG A 533 69.184 -9.598 1.931 1.00 0.00 C ATOM 205 C ARG A 533 68.793 -10.010 0.512 1.00 0.00 C ATOM 206 O ARG A 533 68.761 -11.197 0.189 1.00 0.00 O ATOM 207 CB ARG A 533 67.973 -8.991 2.647 1.00 0.00 C ATOM 208 CG ARG A 533 66.947 -10.088 2.941 1.00 0.00 C ATOM 209 CD ARG A 533 65.691 -9.463 3.553 1.00 0.00 C ATOM 210 NE ARG A 533 66.018 -8.782 4.807 1.00 0.00 N ATOM 211 CZ ARG A 533 65.130 -8.020 5.463 1.00 0.00 C ATOM 212 NH1 ARG A 533 63.912 -7.847 5.007 1.00 0.00 N ATOM 213 NH2 ARG A 533 65.486 -7.440 6.576 1.00 0.00 N ATOM 0 H ARG A 533 70.080 -7.737 2.336 1.00 0.00 H new ATOM 0 HA ARG A 533 69.515 -10.480 2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 533 68.288 -8.515 3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 533 67.523 -8.215 2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 533 66.692 -10.617 2.023 1.00 0.00 H new ATOM 0 HG3 ARG A 533 67.371 -10.823 3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 533 65.251 -8.754 2.851 1.00 0.00 H new ATOM 0 HD3 ARG A 533 64.945 -10.236 3.736 1.00 0.00 H new ATOM 0 HE ARG A 533 66.955 -8.891 5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 533 63.624 -8.296 4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 533 63.253 -7.263 5.522 1.00 0.00 H new ATOM 0 HH21 ARG A 533 66.431 -7.568 6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 533 64.820 -6.858 7.084 1.00 0.00 H new ATOM 227 N ALA A 534 68.636 -9.015 -0.361 1.00 0.00 N ATOM 228 CA ALA A 534 68.295 -9.271 -1.762 1.00 0.00 C ATOM 229 C ALA A 534 69.382 -10.103 -2.447 1.00 0.00 C ATOM 230 O ALA A 534 69.086 -10.969 -3.272 1.00 0.00 O ATOM 231 CB ALA A 534 68.136 -7.942 -2.505 1.00 0.00 C ATOM 0 H ALA A 534 68.739 -8.028 -0.125 1.00 0.00 H new ATOM 0 HA ALA A 534 67.359 -9.828 -1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 534 67.882 -8.136 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 534 67.341 -7.358 -2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 534 69.071 -7.384 -2.457 1.00 0.00 H new ATOM 237 N MET A 535 70.637 -9.846 -2.077 1.00 0.00 N ATOM 238 CA MET A 535 71.775 -10.531 -2.692 1.00 0.00 C ATOM 239 C MET A 535 71.730 -12.038 -2.432 1.00 0.00 C ATOM 240 O MET A 535 72.251 -12.821 -3.227 1.00 0.00 O ATOM 241 CB MET A 535 73.087 -9.955 -2.157 1.00 0.00 C ATOM 242 CG MET A 535 73.353 -8.601 -2.818 1.00 0.00 C ATOM 243 SD MET A 535 73.899 -8.861 -4.525 1.00 0.00 S ATOM 244 CE MET A 535 72.384 -8.305 -5.347 1.00 0.00 C ATOM 0 H MET A 535 70.891 -9.170 -1.356 1.00 0.00 H new ATOM 0 HA MET A 535 71.717 -10.370 -3.768 1.00 0.00 H new ATOM 0 HB2 MET A 535 73.032 -9.839 -1.075 1.00 0.00 H new ATOM 0 HB3 MET A 535 73.909 -10.641 -2.363 1.00 0.00 H new ATOM 0 HG2 MET A 535 72.449 -7.993 -2.803 1.00 0.00 H new ATOM 0 HG3 MET A 535 74.114 -8.055 -2.260 1.00 0.00 H new ATOM 0 HE1 MET A 535 72.568 -8.197 -6.416 1.00 0.00 H new ATOM 0 HE2 MET A 535 71.593 -9.038 -5.187 1.00 0.00 H new ATOM 0 HE3 MET A 535 72.077 -7.344 -4.933 1.00 0.00 H new ATOM 254 N LYS A 536 71.110 -12.439 -1.321 1.00 0.00 N ATOM 255 CA LYS A 536 70.918 -13.859 -1.039 1.00 0.00 C ATOM 256 C LYS A 536 69.856 -14.460 -1.964 1.00 0.00 C ATOM 257 O LYS A 536 69.843 -15.669 -2.199 1.00 0.00 O ATOM 258 CB LYS A 536 70.508 -14.059 0.421 1.00 0.00 C ATOM 259 CG LYS A 536 71.652 -13.623 1.338 1.00 0.00 C ATOM 260 CD LYS A 536 71.289 -13.931 2.792 1.00 0.00 C ATOM 261 CE LYS A 536 72.385 -13.398 3.716 1.00 0.00 C ATOM 262 NZ LYS A 536 73.591 -14.268 3.611 1.00 0.00 N ATOM 0 H LYS A 536 70.737 -11.809 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 536 71.864 -14.371 -1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 536 69.611 -13.479 0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 536 70.263 -15.106 0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 536 72.570 -14.143 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 536 71.842 -12.556 1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 536 70.332 -13.473 3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 536 71.174 -15.006 2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 536 72.638 -12.373 3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 536 72.028 -13.376 4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 536 74.284 -13.989 4.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 536 73.317 -15.260 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 536 74.014 -14.162 2.667 1.00 0.00 H new ATOM 276 N ASP A 537 68.968 -13.611 -2.484 1.00 0.00 N ATOM 277 CA ASP A 537 67.965 -14.054 -3.448 1.00 0.00 C ATOM 278 C ASP A 537 68.585 -14.162 -4.849 1.00 0.00 C ATOM 279 O ASP A 537 69.009 -13.152 -5.413 1.00 0.00 O ATOM 280 CB ASP A 537 66.800 -13.057 -3.480 1.00 0.00 C ATOM 281 CG ASP A 537 65.615 -13.627 -4.267 1.00 0.00 C ATOM 282 OD1 ASP A 537 65.642 -14.804 -4.596 1.00 0.00 O ATOM 283 OD2 ASP A 537 64.694 -12.871 -4.531 1.00 0.00 O ATOM 0 H ASP A 537 68.924 -12.618 -2.254 1.00 0.00 H new ATOM 0 HA ASP A 537 67.597 -15.034 -3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 537 66.487 -12.824 -2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 537 67.128 -12.122 -3.935 1.00 0.00 H new ATOM 288 N PRO A 538 68.642 -15.351 -5.427 1.00 0.00 N ATOM 289 CA PRO A 538 69.388 -15.569 -6.711 1.00 0.00 C ATOM 290 C PRO A 538 68.886 -14.673 -7.844 1.00 0.00 C ATOM 291 O PRO A 538 69.668 -14.240 -8.693 1.00 0.00 O ATOM 292 CB PRO A 538 69.154 -17.048 -7.047 1.00 0.00 C ATOM 293 CG PRO A 538 68.713 -17.687 -5.776 1.00 0.00 C ATOM 294 CD PRO A 538 68.009 -16.603 -4.969 1.00 0.00 C ATOM 0 HA PRO A 538 70.443 -15.318 -6.598 1.00 0.00 H new ATOM 0 HB2 PRO A 538 68.397 -17.158 -7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 538 70.066 -17.513 -7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 538 68.041 -18.522 -5.974 1.00 0.00 H new ATOM 0 HG3 PRO A 538 69.565 -18.088 -5.227 1.00 0.00 H new ATOM 0 HD2 PRO A 538 66.935 -16.599 -5.156 1.00 0.00 H new ATOM 0 HD3 PRO A 538 68.145 -16.751 -3.898 1.00 0.00 H new ATOM 302 N GLU A 539 67.592 -14.355 -7.825 1.00 0.00 N ATOM 303 CA GLU A 539 66.996 -13.569 -8.905 1.00 0.00 C ATOM 304 C GLU A 539 67.534 -12.141 -8.881 1.00 0.00 C ATOM 305 O GLU A 539 67.814 -11.556 -9.928 1.00 0.00 O ATOM 306 CB GLU A 539 65.472 -13.551 -8.766 1.00 0.00 C ATOM 307 CG GLU A 539 64.928 -14.974 -8.908 1.00 0.00 C ATOM 308 CD GLU A 539 63.403 -14.962 -8.854 1.00 0.00 C ATOM 309 OE1 GLU A 539 62.813 -14.067 -9.436 1.00 0.00 O ATOM 310 OE2 GLU A 539 62.846 -15.851 -8.230 1.00 0.00 O ATOM 0 H GLU A 539 66.944 -14.625 -7.085 1.00 0.00 H new ATOM 0 HA GLU A 539 67.261 -14.031 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 539 65.190 -13.138 -7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 539 65.035 -12.906 -9.528 1.00 0.00 H new ATOM 0 HG2 GLU A 539 65.263 -15.407 -9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 539 65.323 -15.603 -8.110 1.00 0.00 H new ATOM 317 N VAL A 540 67.747 -11.612 -7.677 1.00 0.00 N ATOM 318 CA VAL A 540 68.276 -10.257 -7.523 1.00 0.00 C ATOM 319 C VAL A 540 69.700 -10.185 -8.071 1.00 0.00 C ATOM 320 O VAL A 540 70.046 -9.260 -8.806 1.00 0.00 O ATOM 321 CB VAL A 540 68.263 -9.857 -6.040 1.00 0.00 C ATOM 322 CG1 VAL A 540 68.722 -8.404 -5.877 1.00 0.00 C ATOM 323 CG2 VAL A 540 66.844 -10.003 -5.479 1.00 0.00 C ATOM 0 H VAL A 540 67.563 -12.097 -6.799 1.00 0.00 H new ATOM 0 HA VAL A 540 67.647 -9.565 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 540 68.945 -10.511 -5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 540 68.708 -8.134 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 540 69.735 -8.297 -6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 540 68.050 -7.746 -6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 540 66.838 -9.719 -4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 540 66.165 -9.356 -6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 540 66.519 -11.039 -5.577 1.00 0.00 H new ATOM 333 N ALA A 541 70.515 -11.182 -7.725 1.00 0.00 N ATOM 334 CA ALA A 541 71.911 -11.213 -8.165 1.00 0.00 C ATOM 335 C ALA A 541 71.993 -11.177 -9.690 1.00 0.00 C ATOM 336 O ALA A 541 72.773 -10.418 -10.266 1.00 0.00 O ATOM 337 CB ALA A 541 72.586 -12.487 -7.646 1.00 0.00 C ATOM 0 H ALA A 541 70.236 -11.974 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 541 72.422 -10.337 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 541 73.625 -12.508 -7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 541 72.550 -12.500 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 541 72.064 -13.360 -8.037 1.00 0.00 H new ATOM 343 N ALA A 542 71.129 -11.961 -10.332 1.00 0.00 N ATOM 344 CA ALA A 542 71.141 -12.077 -11.791 1.00 0.00 C ATOM 345 C ALA A 542 70.856 -10.735 -12.465 1.00 0.00 C ATOM 346 O ALA A 542 71.524 -10.371 -13.435 1.00 0.00 O ATOM 347 CB ALA A 542 70.100 -13.104 -12.242 1.00 0.00 C ATOM 0 H ALA A 542 70.415 -12.523 -9.869 1.00 0.00 H new ATOM 0 HA ALA A 542 72.138 -12.403 -12.089 1.00 0.00 H new ATOM 0 HB1 ALA A 542 70.115 -13.184 -13.329 1.00 0.00 H new ATOM 0 HB2 ALA A 542 70.332 -14.074 -11.803 1.00 0.00 H new ATOM 0 HB3 ALA A 542 69.110 -12.786 -11.916 1.00 0.00 H new ATOM 353 N ILE A 543 69.869 -10.001 -11.950 1.00 0.00 N ATOM 354 CA ILE A 543 69.471 -8.732 -12.561 1.00 0.00 C ATOM 355 C ILE A 543 70.582 -7.686 -12.429 1.00 0.00 C ATOM 356 O ILE A 543 70.930 -7.024 -13.408 1.00 0.00 O ATOM 357 CB ILE A 543 68.177 -8.211 -11.911 1.00 0.00 C ATOM 358 CG1 ILE A 543 67.076 -9.271 -12.059 1.00 0.00 C ATOM 359 CG2 ILE A 543 67.726 -6.903 -12.593 1.00 0.00 C ATOM 360 CD1 ILE A 543 65.866 -8.880 -11.207 1.00 0.00 C ATOM 0 H ILE A 543 69.335 -10.259 -11.120 1.00 0.00 H new ATOM 0 HA ILE A 543 69.292 -8.909 -13.622 1.00 0.00 H new ATOM 0 HB ILE A 543 68.362 -8.012 -10.855 1.00 0.00 H new ATOM 0 HG12 ILE A 543 66.783 -9.361 -13.105 1.00 0.00 H new ATOM 0 HG13 ILE A 543 67.452 -10.246 -11.748 1.00 0.00 H new ATOM 0 HG21 ILE A 543 66.810 -6.545 -12.124 1.00 0.00 H new ATOM 0 HG22 ILE A 543 68.506 -6.149 -12.487 1.00 0.00 H new ATOM 0 HG23 ILE A 543 67.543 -7.089 -13.651 1.00 0.00 H new ATOM 0 HD11 ILE A 543 65.086 -9.634 -11.314 1.00 0.00 H new ATOM 0 HD12 ILE A 543 66.164 -8.813 -10.161 1.00 0.00 H new ATOM 0 HD13 ILE A 543 65.484 -7.914 -11.538 1.00 0.00 H new ATOM 372 N MET A 544 71.132 -7.541 -11.224 1.00 0.00 N ATOM 373 CA MET A 544 72.148 -6.511 -10.976 1.00 0.00 C ATOM 374 C MET A 544 73.395 -6.740 -11.832 1.00 0.00 C ATOM 375 O MET A 544 74.085 -5.788 -12.199 1.00 0.00 O ATOM 376 CB MET A 544 72.532 -6.491 -9.496 1.00 0.00 C ATOM 377 CG MET A 544 71.406 -5.835 -8.695 1.00 0.00 C ATOM 378 SD MET A 544 71.964 -5.536 -7.001 1.00 0.00 S ATOM 379 CE MET A 544 70.428 -4.810 -6.381 1.00 0.00 C ATOM 0 H MET A 544 70.898 -8.113 -10.413 1.00 0.00 H new ATOM 0 HA MET A 544 71.718 -5.548 -11.251 1.00 0.00 H new ATOM 0 HB2 MET A 544 72.705 -7.506 -9.139 1.00 0.00 H new ATOM 0 HB3 MET A 544 73.463 -5.941 -9.356 1.00 0.00 H new ATOM 0 HG2 MET A 544 71.112 -4.896 -9.163 1.00 0.00 H new ATOM 0 HG3 MET A 544 70.526 -6.478 -8.691 1.00 0.00 H new ATOM 0 HE1 MET A 544 70.418 -4.855 -5.292 1.00 0.00 H new ATOM 0 HE2 MET A 544 70.362 -3.770 -6.702 1.00 0.00 H new ATOM 0 HE3 MET A 544 69.578 -5.366 -6.775 1.00 0.00 H new ATOM 389 N GLN A 545 73.678 -8.004 -12.146 1.00 0.00 N ATOM 390 CA GLN A 545 74.763 -8.332 -13.073 1.00 0.00 C ATOM 391 C GLN A 545 74.314 -8.241 -14.539 1.00 0.00 C ATOM 392 O GLN A 545 75.096 -8.525 -15.448 1.00 0.00 O ATOM 393 CB GLN A 545 75.273 -9.744 -12.789 1.00 0.00 C ATOM 394 CG GLN A 545 76.297 -9.707 -11.652 1.00 0.00 C ATOM 395 CD GLN A 545 76.861 -11.103 -11.412 1.00 0.00 C ATOM 396 OE1 GLN A 545 77.774 -11.534 -12.117 1.00 0.00 O ATOM 397 NE2 GLN A 545 76.370 -11.839 -10.453 1.00 0.00 N ATOM 0 H GLN A 545 73.177 -8.812 -11.776 1.00 0.00 H new ATOM 0 HA GLN A 545 75.559 -7.603 -12.919 1.00 0.00 H new ATOM 0 HB2 GLN A 545 74.440 -10.394 -12.520 1.00 0.00 H new ATOM 0 HB3 GLN A 545 75.728 -10.164 -13.686 1.00 0.00 H new ATOM 0 HG2 GLN A 545 77.104 -9.018 -11.901 1.00 0.00 H new ATOM 0 HG3 GLN A 545 75.828 -9.334 -10.741 1.00 0.00 H new ATOM 0 HE21 GLN A 545 75.614 -11.480 -9.870 1.00 0.00 H new ATOM 0 HE22 GLN A 545 76.742 -12.774 -10.286 1.00 0.00 H new ATOM 406 N ASP A 546 73.062 -7.847 -14.763 1.00 0.00 N ATOM 407 CA ASP A 546 72.514 -7.735 -16.113 1.00 0.00 C ATOM 408 C ASP A 546 72.083 -6.281 -16.366 1.00 0.00 C ATOM 409 O ASP A 546 71.355 -5.701 -15.559 1.00 0.00 O ATOM 410 CB ASP A 546 71.299 -8.670 -16.239 1.00 0.00 C ATOM 411 CG ASP A 546 71.130 -9.189 -17.671 1.00 0.00 C ATOM 412 OD1 ASP A 546 72.023 -8.989 -18.477 1.00 0.00 O ATOM 413 OD2 ASP A 546 70.098 -9.783 -17.938 1.00 0.00 O ATOM 0 H ASP A 546 72.405 -7.599 -14.023 1.00 0.00 H new ATOM 0 HA ASP A 546 73.268 -8.018 -16.848 1.00 0.00 H new ATOM 0 HB2 ASP A 546 71.416 -9.513 -15.558 1.00 0.00 H new ATOM 0 HB3 ASP A 546 70.397 -8.138 -15.936 1.00 0.00 H new ATOM 418 N PRO A 547 72.504 -5.688 -17.462 1.00 0.00 N ATOM 419 CA PRO A 547 72.510 -4.199 -17.607 1.00 0.00 C ATOM 420 C PRO A 547 71.110 -3.595 -17.769 1.00 0.00 C ATOM 421 O PRO A 547 70.936 -2.380 -17.633 1.00 0.00 O ATOM 422 CB PRO A 547 73.357 -3.971 -18.855 1.00 0.00 C ATOM 423 CG PRO A 547 73.115 -5.171 -19.704 1.00 0.00 C ATOM 424 CD PRO A 547 72.822 -6.333 -18.752 1.00 0.00 C ATOM 0 HA PRO A 547 72.901 -3.711 -16.714 1.00 0.00 H new ATOM 0 HB2 PRO A 547 73.064 -3.056 -19.370 1.00 0.00 H new ATOM 0 HB3 PRO A 547 74.413 -3.871 -18.604 1.00 0.00 H new ATOM 0 HG2 PRO A 547 72.276 -5.004 -20.380 1.00 0.00 H new ATOM 0 HG3 PRO A 547 73.985 -5.388 -20.323 1.00 0.00 H new ATOM 0 HD2 PRO A 547 71.988 -6.937 -19.109 1.00 0.00 H new ATOM 0 HD3 PRO A 547 73.681 -6.998 -18.662 1.00 0.00 H new ATOM 432 N VAL A 548 70.110 -4.438 -18.042 1.00 0.00 N ATOM 433 CA VAL A 548 68.800 -3.949 -18.484 1.00 0.00 C ATOM 434 C VAL A 548 68.199 -2.989 -17.456 1.00 0.00 C ATOM 435 O VAL A 548 67.931 -1.829 -17.766 1.00 0.00 O ATOM 436 CB VAL A 548 67.846 -5.133 -18.715 1.00 0.00 C ATOM 437 CG1 VAL A 548 66.471 -4.631 -19.181 1.00 0.00 C ATOM 438 CG2 VAL A 548 68.434 -6.056 -19.784 1.00 0.00 C ATOM 0 H VAL A 548 70.180 -5.453 -17.966 1.00 0.00 H new ATOM 0 HA VAL A 548 68.936 -3.408 -19.420 1.00 0.00 H new ATOM 0 HB VAL A 548 67.725 -5.676 -17.778 1.00 0.00 H new ATOM 0 HG11 VAL A 548 65.808 -5.481 -19.340 1.00 0.00 H new ATOM 0 HG12 VAL A 548 66.046 -3.976 -18.420 1.00 0.00 H new ATOM 0 HG13 VAL A 548 66.582 -4.078 -20.114 1.00 0.00 H new ATOM 0 HG21 VAL A 548 67.760 -6.896 -19.950 1.00 0.00 H new ATOM 0 HG22 VAL A 548 68.559 -5.502 -20.714 1.00 0.00 H new ATOM 0 HG23 VAL A 548 69.403 -6.428 -19.450 1.00 0.00 H new ATOM 448 N MET A 549 68.062 -3.452 -16.219 1.00 0.00 N ATOM 449 CA MET A 549 67.323 -2.680 -15.222 1.00 0.00 C ATOM 450 C MET A 549 68.064 -1.401 -14.847 1.00 0.00 C ATOM 451 O MET A 549 67.435 -0.397 -14.511 1.00 0.00 O ATOM 452 CB MET A 549 67.040 -3.514 -13.969 1.00 0.00 C ATOM 453 CG MET A 549 65.694 -4.230 -14.139 1.00 0.00 C ATOM 454 SD MET A 549 65.182 -4.981 -12.574 1.00 0.00 S ATOM 455 CE MET A 549 65.067 -3.459 -11.607 1.00 0.00 C ATOM 0 H MET A 549 68.443 -4.338 -15.885 1.00 0.00 H new ATOM 0 HA MET A 549 66.370 -2.404 -15.673 1.00 0.00 H new ATOM 0 HB2 MET A 549 67.836 -4.242 -13.813 1.00 0.00 H new ATOM 0 HB3 MET A 549 67.017 -2.873 -13.088 1.00 0.00 H new ATOM 0 HG2 MET A 549 64.937 -3.521 -14.475 1.00 0.00 H new ATOM 0 HG3 MET A 549 65.777 -4.997 -14.909 1.00 0.00 H new ATOM 0 HE1 MET A 549 64.454 -3.635 -10.723 1.00 0.00 H new ATOM 0 HE2 MET A 549 66.065 -3.147 -11.300 1.00 0.00 H new ATOM 0 HE3 MET A 549 64.612 -2.676 -12.214 1.00 0.00 H new ATOM 465 N GLN A 550 69.395 -1.421 -14.934 1.00 0.00 N ATOM 466 CA GLN A 550 70.187 -0.218 -14.671 1.00 0.00 C ATOM 467 C GLN A 550 69.793 0.904 -15.633 1.00 0.00 C ATOM 468 O GLN A 550 69.527 2.032 -15.214 1.00 0.00 O ATOM 469 CB GLN A 550 71.678 -0.528 -14.831 1.00 0.00 C ATOM 470 CG GLN A 550 72.508 0.620 -14.248 1.00 0.00 C ATOM 471 CD GLN A 550 73.997 0.316 -14.385 1.00 0.00 C ATOM 472 OE1 GLN A 550 74.404 -0.847 -14.356 1.00 0.00 O ATOM 473 NE2 GLN A 550 74.841 1.299 -14.535 1.00 0.00 N ATOM 0 H GLN A 550 69.942 -2.246 -15.181 1.00 0.00 H new ATOM 0 HA GLN A 550 69.991 0.107 -13.649 1.00 0.00 H new ATOM 0 HB2 GLN A 550 71.922 -1.461 -14.323 1.00 0.00 H new ATOM 0 HB3 GLN A 550 71.920 -0.666 -15.885 1.00 0.00 H new ATOM 0 HG2 GLN A 550 72.270 1.550 -14.765 1.00 0.00 H new ATOM 0 HG3 GLN A 550 72.254 0.765 -13.198 1.00 0.00 H new ATOM 0 HE21 GLN A 550 74.504 2.261 -14.559 1.00 0.00 H new ATOM 0 HE22 GLN A 550 75.838 1.105 -14.628 1.00 0.00 H new ATOM 482 N SER A 551 69.714 0.570 -16.923 1.00 0.00 N ATOM 483 CA SER A 551 69.354 1.554 -17.944 1.00 0.00 C ATOM 484 C SER A 551 67.934 2.084 -17.736 1.00 0.00 C ATOM 485 O SER A 551 67.687 3.278 -17.898 1.00 0.00 O ATOM 486 CB SER A 551 69.469 0.933 -19.337 1.00 0.00 C ATOM 487 OG SER A 551 68.445 -0.039 -19.505 1.00 0.00 O ATOM 0 H SER A 551 69.893 -0.367 -17.283 1.00 0.00 H new ATOM 0 HA SER A 551 70.047 2.390 -17.856 1.00 0.00 H new ATOM 0 HB2 SER A 551 69.381 1.706 -20.101 1.00 0.00 H new ATOM 0 HB3 SER A 551 70.448 0.471 -19.462 1.00 0.00 H new ATOM 0 HG SER A 551 68.472 -0.675 -18.760 1.00 0.00 H new ATOM 493 N ILE A 552 67.007 1.202 -17.353 1.00 0.00 N ATOM 494 CA ILE A 552 65.605 1.600 -17.177 1.00 0.00 C ATOM 495 C ILE A 552 65.475 2.635 -16.056 1.00 0.00 C ATOM 496 O ILE A 552 64.807 3.655 -16.222 1.00 0.00 O ATOM 497 CB ILE A 552 64.737 0.367 -16.863 1.00 0.00 C ATOM 498 CG1 ILE A 552 64.941 -0.688 -17.960 1.00 0.00 C ATOM 499 CG2 ILE A 552 63.253 0.768 -16.820 1.00 0.00 C ATOM 500 CD1 ILE A 552 64.291 -2.015 -17.554 1.00 0.00 C ATOM 0 H ILE A 552 67.197 0.219 -17.160 1.00 0.00 H new ATOM 0 HA ILE A 552 65.256 2.051 -18.106 1.00 0.00 H new ATOM 0 HB ILE A 552 65.029 -0.040 -15.895 1.00 0.00 H new ATOM 0 HG12 ILE A 552 64.509 -0.336 -18.897 1.00 0.00 H new ATOM 0 HG13 ILE A 552 66.006 -0.837 -18.137 1.00 0.00 H new ATOM 0 HG21 ILE A 552 62.645 -0.109 -16.597 1.00 0.00 H new ATOM 0 HG22 ILE A 552 63.102 1.520 -16.046 1.00 0.00 H new ATOM 0 HG23 ILE A 552 62.959 1.178 -17.786 1.00 0.00 H new ATOM 0 HD11 ILE A 552 64.445 -2.752 -18.342 1.00 0.00 H new ATOM 0 HD12 ILE A 552 64.743 -2.374 -16.629 1.00 0.00 H new ATOM 0 HD13 ILE A 552 63.222 -1.865 -17.401 1.00 0.00 H new ATOM 512 N LEU A 553 66.140 2.379 -14.930 1.00 0.00 N ATOM 513 CA LEU A 553 66.102 3.307 -13.793 1.00 0.00 C ATOM 514 C LEU A 553 66.645 4.681 -14.188 1.00 0.00 C ATOM 515 O LEU A 553 66.027 5.711 -13.904 1.00 0.00 O ATOM 516 CB LEU A 553 66.927 2.746 -12.631 1.00 0.00 C ATOM 517 CG LEU A 553 66.317 1.425 -12.156 1.00 0.00 C ATOM 518 CD1 LEU A 553 67.273 0.747 -11.174 1.00 0.00 C ATOM 519 CD2 LEU A 553 64.983 1.699 -11.455 1.00 0.00 C ATOM 0 H LEU A 553 66.708 1.545 -14.778 1.00 0.00 H new ATOM 0 HA LEU A 553 65.063 3.420 -13.483 1.00 0.00 H new ATOM 0 HB2 LEU A 553 67.958 2.589 -12.947 1.00 0.00 H new ATOM 0 HB3 LEU A 553 66.951 3.463 -11.810 1.00 0.00 H new ATOM 0 HG LEU A 553 66.151 0.774 -13.014 1.00 0.00 H new ATOM 0 HD11 LEU A 553 66.839 -0.194 -10.835 1.00 0.00 H new ATOM 0 HD12 LEU A 553 68.224 0.551 -11.669 1.00 0.00 H new ATOM 0 HD13 LEU A 553 67.438 1.400 -10.317 1.00 0.00 H new ATOM 0 HD21 LEU A 553 64.549 0.758 -11.117 1.00 0.00 H new ATOM 0 HD22 LEU A 553 65.150 2.350 -10.597 1.00 0.00 H new ATOM 0 HD23 LEU A 553 64.299 2.184 -12.151 1.00 0.00 H new ATOM 531 N GLN A 554 67.778 4.690 -14.896 1.00 0.00 N ATOM 532 CA GLN A 554 68.373 5.945 -15.359 1.00 0.00 C ATOM 533 C GLN A 554 67.378 6.733 -16.212 1.00 0.00 C ATOM 534 O GLN A 554 67.076 7.890 -15.917 1.00 0.00 O ATOM 535 CB GLN A 554 69.634 5.658 -16.179 1.00 0.00 C ATOM 536 CG GLN A 554 70.686 4.992 -15.288 1.00 0.00 C ATOM 537 CD GLN A 554 71.241 6.001 -14.288 1.00 0.00 C ATOM 538 OE1 GLN A 554 71.611 7.113 -14.668 1.00 0.00 O ATOM 539 NE2 GLN A 554 71.324 5.679 -13.027 1.00 0.00 N ATOM 0 H GLN A 554 68.296 3.852 -15.158 1.00 0.00 H new ATOM 0 HA GLN A 554 68.636 6.541 -14.485 1.00 0.00 H new ATOM 0 HB2 GLN A 554 69.393 5.009 -17.021 1.00 0.00 H new ATOM 0 HB3 GLN A 554 70.029 6.585 -16.594 1.00 0.00 H new ATOM 0 HG2 GLN A 554 70.244 4.149 -14.758 1.00 0.00 H new ATOM 0 HG3 GLN A 554 71.494 4.594 -15.902 1.00 0.00 H new ATOM 0 HE21 GLN A 554 71.017 4.758 -12.715 1.00 0.00 H new ATOM 0 HE22 GLN A 554 71.696 6.348 -12.353 1.00 0.00 H new ATOM 548 N GLN A 555 66.765 6.052 -17.179 1.00 0.00 N ATOM 549 CA GLN A 555 65.814 6.697 -18.086 1.00 0.00 C ATOM 550 C GLN A 555 64.632 7.290 -17.317 1.00 0.00 C ATOM 551 O GLN A 555 64.127 8.356 -17.669 1.00 0.00 O ATOM 552 CB GLN A 555 65.299 5.680 -19.107 1.00 0.00 C ATOM 553 CG GLN A 555 66.436 5.284 -20.051 1.00 0.00 C ATOM 554 CD GLN A 555 65.957 4.217 -21.032 1.00 0.00 C ATOM 555 OE1 GLN A 555 65.136 3.370 -20.679 1.00 0.00 O ATOM 556 NE2 GLN A 555 66.424 4.207 -22.250 1.00 0.00 N ATOM 0 H GLN A 555 66.908 5.058 -17.355 1.00 0.00 H new ATOM 0 HA GLN A 555 66.333 7.507 -18.600 1.00 0.00 H new ATOM 0 HB2 GLN A 555 64.913 4.798 -18.595 1.00 0.00 H new ATOM 0 HB3 GLN A 555 64.472 6.106 -19.675 1.00 0.00 H new ATOM 0 HG2 GLN A 555 66.787 6.160 -20.597 1.00 0.00 H new ATOM 0 HG3 GLN A 555 67.282 4.907 -19.476 1.00 0.00 H new ATOM 0 HE21 GLN A 555 67.104 4.909 -22.541 1.00 0.00 H new ATOM 0 HE22 GLN A 555 66.109 3.497 -22.911 1.00 0.00 H new ATOM 565 N ALA A 556 64.199 6.591 -16.265 1.00 0.00 N ATOM 566 CA ALA A 556 63.077 7.056 -15.447 1.00 0.00 C ATOM 567 C ALA A 556 63.392 8.394 -14.784 1.00 0.00 C ATOM 568 O ALA A 556 62.503 9.229 -14.611 1.00 0.00 O ATOM 569 CB ALA A 556 62.749 6.019 -14.370 1.00 0.00 C ATOM 0 H ALA A 556 64.606 5.706 -15.961 1.00 0.00 H new ATOM 0 HA ALA A 556 62.217 7.190 -16.104 1.00 0.00 H new ATOM 0 HB1 ALA A 556 61.913 6.373 -13.766 1.00 0.00 H new ATOM 0 HB2 ALA A 556 62.480 5.075 -14.844 1.00 0.00 H new ATOM 0 HB3 ALA A 556 63.620 5.869 -13.732 1.00 0.00 H new ATOM 575 N GLN A 557 64.658 8.593 -14.412 1.00 0.00 N ATOM 576 CA GLN A 557 65.080 9.859 -13.817 1.00 0.00 C ATOM 577 C GLN A 557 64.986 10.981 -14.848 1.00 0.00 C ATOM 578 O GLN A 557 64.516 12.079 -14.548 1.00 0.00 O ATOM 579 CB GLN A 557 66.524 9.746 -13.316 1.00 0.00 C ATOM 580 CG GLN A 557 66.854 10.945 -12.425 1.00 0.00 C ATOM 581 CD GLN A 557 66.219 10.765 -11.051 1.00 0.00 C ATOM 582 OE1 GLN A 557 65.486 11.638 -10.586 1.00 0.00 O ATOM 583 NE2 GLN A 557 66.457 9.678 -10.370 1.00 0.00 N ATOM 0 H GLN A 557 65.401 7.901 -14.511 1.00 0.00 H new ATOM 0 HA GLN A 557 64.423 10.087 -12.978 1.00 0.00 H new ATOM 0 HB2 GLN A 557 66.654 8.819 -12.758 1.00 0.00 H new ATOM 0 HB3 GLN A 557 67.211 9.708 -14.161 1.00 0.00 H new ATOM 0 HG2 GLN A 557 67.935 11.047 -12.325 1.00 0.00 H new ATOM 0 HG3 GLN A 557 66.488 11.863 -12.886 1.00 0.00 H new ATOM 0 HE21 GLN A 557 67.065 8.956 -10.758 1.00 0.00 H new ATOM 0 HE22 GLN A 557 66.035 9.550 -9.450 1.00 0.00 H new ATOM 592 N GLN A 558 65.439 10.685 -16.066 1.00 0.00 N ATOM 593 CA GLN A 558 65.354 11.643 -17.166 1.00 0.00 C ATOM 594 C GLN A 558 63.900 11.873 -17.575 1.00 0.00 C ATOM 595 O GLN A 558 63.522 12.985 -17.946 1.00 0.00 O ATOM 596 CB GLN A 558 66.148 11.130 -18.370 1.00 0.00 C ATOM 597 CG GLN A 558 67.632 11.041 -18.004 1.00 0.00 C ATOM 598 CD GLN A 558 68.430 10.486 -19.180 1.00 0.00 C ATOM 599 OE1 GLN A 558 67.933 9.644 -19.929 1.00 0.00 O ATOM 600 NE2 GLN A 558 69.647 10.908 -19.387 1.00 0.00 N ATOM 0 H GLN A 558 65.867 9.793 -16.315 1.00 0.00 H new ATOM 0 HA GLN A 558 65.776 12.589 -16.827 1.00 0.00 H new ATOM 0 HB2 GLN A 558 65.778 10.150 -18.672 1.00 0.00 H new ATOM 0 HB3 GLN A 558 66.012 11.798 -19.220 1.00 0.00 H new ATOM 0 HG2 GLN A 558 68.007 12.028 -17.733 1.00 0.00 H new ATOM 0 HG3 GLN A 558 67.762 10.400 -17.132 1.00 0.00 H new ATOM 0 HE21 GLN A 558 70.058 11.605 -18.766 1.00 0.00 H new ATOM 0 HE22 GLN A 558 70.188 10.541 -20.170 1.00 0.00 H new ATOM 609 N ASN A 559 63.088 10.815 -17.505 1.00 0.00 N ATOM 610 CA ASN A 559 61.684 10.908 -17.894 1.00 0.00 C ATOM 611 C ASN A 559 60.891 9.726 -17.322 1.00 0.00 C ATOM 612 O ASN A 559 61.230 8.571 -17.581 1.00 0.00 O ATOM 613 CB ASN A 559 61.571 10.909 -19.420 1.00 0.00 C ATOM 614 CG ASN A 559 60.276 11.591 -19.848 1.00 0.00 C ATOM 615 OD1 ASN A 559 59.201 10.997 -19.755 1.00 0.00 O ATOM 616 ND2 ASN A 559 60.312 12.809 -20.315 1.00 0.00 N ATOM 0 H ASN A 559 63.379 9.891 -17.185 1.00 0.00 H new ATOM 0 HA ASN A 559 61.271 11.835 -17.496 1.00 0.00 H new ATOM 0 HB2 ASN A 559 62.425 11.427 -19.856 1.00 0.00 H new ATOM 0 HB3 ASN A 559 61.594 9.886 -19.795 1.00 0.00 H new ATOM 0 HD21 ASN A 559 59.449 13.270 -20.604 1.00 0.00 H new ATOM 0 HD22 ASN A 559 61.203 13.300 -20.391 1.00 0.00 H new ATOM 623 N PRO A 560 59.819 9.987 -16.599 1.00 0.00 N ATOM 624 CA PRO A 560 59.141 8.925 -15.786 1.00 0.00 C ATOM 625 C PRO A 560 58.454 7.856 -16.642 1.00 0.00 C ATOM 626 O PRO A 560 58.122 6.779 -16.145 1.00 0.00 O ATOM 627 CB PRO A 560 58.116 9.701 -14.956 1.00 0.00 C ATOM 628 CG PRO A 560 57.799 10.913 -15.760 1.00 0.00 C ATOM 629 CD PRO A 560 59.064 11.258 -16.543 1.00 0.00 C ATOM 0 HA PRO A 560 59.859 8.367 -15.184 1.00 0.00 H new ATOM 0 HB2 PRO A 560 57.222 9.104 -14.775 1.00 0.00 H new ATOM 0 HB3 PRO A 560 58.522 9.970 -13.981 1.00 0.00 H new ATOM 0 HG2 PRO A 560 56.965 10.723 -16.435 1.00 0.00 H new ATOM 0 HG3 PRO A 560 57.505 11.741 -15.114 1.00 0.00 H new ATOM 0 HD2 PRO A 560 58.826 11.623 -17.542 1.00 0.00 H new ATOM 0 HD3 PRO A 560 59.638 12.040 -16.046 1.00 0.00 H new ATOM 637 N ALA A 561 58.243 8.154 -17.925 1.00 0.00 N ATOM 638 CA ALA A 561 57.532 7.234 -18.815 1.00 0.00 C ATOM 639 C ALA A 561 58.370 5.988 -19.126 1.00 0.00 C ATOM 640 O ALA A 561 57.822 4.938 -19.475 1.00 0.00 O ATOM 641 CB ALA A 561 57.181 7.945 -20.124 1.00 0.00 C ATOM 0 H ALA A 561 58.552 9.019 -18.369 1.00 0.00 H new ATOM 0 HA ALA A 561 56.623 6.916 -18.305 1.00 0.00 H new ATOM 0 HB1 ALA A 561 56.652 7.256 -20.782 1.00 0.00 H new ATOM 0 HB2 ALA A 561 56.545 8.804 -19.912 1.00 0.00 H new ATOM 0 HB3 ALA A 561 58.096 8.282 -20.611 1.00 0.00 H new ATOM 647 N ALA A 562 59.693 6.092 -18.968 1.00 0.00 N ATOM 648 CA ALA A 562 60.597 5.055 -19.464 1.00 0.00 C ATOM 649 C ALA A 562 60.361 3.728 -18.746 1.00 0.00 C ATOM 650 O ALA A 562 60.118 2.699 -19.384 1.00 0.00 O ATOM 651 CB ALA A 562 62.051 5.489 -19.265 1.00 0.00 C ATOM 0 H ALA A 562 60.156 6.875 -18.506 1.00 0.00 H new ATOM 0 HA ALA A 562 60.396 4.915 -20.526 1.00 0.00 H new ATOM 0 HB1 ALA A 562 62.717 4.711 -19.637 1.00 0.00 H new ATOM 0 HB2 ALA A 562 62.233 6.414 -19.812 1.00 0.00 H new ATOM 0 HB3 ALA A 562 62.240 5.652 -18.204 1.00 0.00 H new ATOM 657 N LEU A 563 60.375 3.758 -17.416 1.00 0.00 N ATOM 658 CA LEU A 563 60.228 2.526 -16.647 1.00 0.00 C ATOM 659 C LEU A 563 58.817 1.954 -16.792 1.00 0.00 C ATOM 660 O LEU A 563 58.625 0.741 -16.712 1.00 0.00 O ATOM 661 CB LEU A 563 60.605 2.727 -15.163 1.00 0.00 C ATOM 662 CG LEU A 563 59.929 3.959 -14.534 1.00 0.00 C ATOM 663 CD1 LEU A 563 58.422 3.724 -14.361 1.00 0.00 C ATOM 664 CD2 LEU A 563 60.570 4.218 -13.166 1.00 0.00 C ATOM 0 H LEU A 563 60.484 4.604 -16.857 1.00 0.00 H new ATOM 0 HA LEU A 563 60.928 1.799 -17.058 1.00 0.00 H new ATOM 0 HB2 LEU A 563 60.325 1.838 -14.599 1.00 0.00 H new ATOM 0 HB3 LEU A 563 61.687 2.830 -15.079 1.00 0.00 H new ATOM 0 HG LEU A 563 60.066 4.820 -15.189 1.00 0.00 H new ATOM 0 HD11 LEU A 563 57.965 4.607 -13.915 1.00 0.00 H new ATOM 0 HD12 LEU A 563 57.969 3.533 -15.334 1.00 0.00 H new ATOM 0 HD13 LEU A 563 58.260 2.864 -13.711 1.00 0.00 H new ATOM 0 HD21 LEU A 563 60.103 5.088 -12.704 1.00 0.00 H new ATOM 0 HD22 LEU A 563 60.426 3.347 -12.526 1.00 0.00 H new ATOM 0 HD23 LEU A 563 61.637 4.403 -13.293 1.00 0.00 H new ATOM 676 N GLN A 564 57.827 2.827 -17.024 1.00 0.00 N ATOM 677 CA GLN A 564 56.438 2.380 -17.173 1.00 0.00 C ATOM 678 C GLN A 564 56.307 1.396 -18.334 1.00 0.00 C ATOM 679 O GLN A 564 55.932 0.238 -18.133 1.00 0.00 O ATOM 680 CB GLN A 564 55.520 3.579 -17.429 1.00 0.00 C ATOM 681 CG GLN A 564 55.609 4.560 -16.258 1.00 0.00 C ATOM 682 CD GLN A 564 54.433 5.528 -16.300 1.00 0.00 C ATOM 683 OE1 GLN A 564 53.298 5.118 -16.542 1.00 0.00 O ATOM 684 NE2 GLN A 564 54.637 6.798 -16.077 1.00 0.00 N ATOM 0 H GLN A 564 57.961 3.834 -17.111 1.00 0.00 H new ATOM 0 HA GLN A 564 56.145 1.883 -16.248 1.00 0.00 H new ATOM 0 HB2 GLN A 564 55.807 4.077 -18.355 1.00 0.00 H new ATOM 0 HB3 GLN A 564 54.491 3.241 -17.555 1.00 0.00 H new ATOM 0 HG2 GLN A 564 55.608 4.014 -15.314 1.00 0.00 H new ATOM 0 HG3 GLN A 564 56.547 5.112 -16.306 1.00 0.00 H new ATOM 0 HE21 GLN A 564 55.578 7.136 -15.877 1.00 0.00 H new ATOM 0 HE22 GLN A 564 53.855 7.452 -16.103 1.00 0.00 H new ATOM 693 N GLU A 565 56.786 1.800 -19.512 1.00 0.00 N ATOM 694 CA GLU A 565 56.689 0.946 -20.699 1.00 0.00 C ATOM 695 C GLU A 565 57.482 -0.349 -20.503 1.00 0.00 C ATOM 696 O GLU A 565 57.155 -1.382 -21.089 1.00 0.00 O ATOM 697 CB GLU A 565 57.206 1.692 -21.935 1.00 0.00 C ATOM 698 CG GLU A 565 58.641 2.176 -21.705 1.00 0.00 C ATOM 699 CD GLU A 565 59.281 2.556 -23.035 1.00 0.00 C ATOM 700 OE1 GLU A 565 58.752 3.435 -23.696 1.00 0.00 O ATOM 701 OE2 GLU A 565 60.292 1.963 -23.375 1.00 0.00 O ATOM 0 H GLU A 565 57.239 2.700 -19.670 1.00 0.00 H new ATOM 0 HA GLU A 565 55.640 0.692 -20.849 1.00 0.00 H new ATOM 0 HB2 GLU A 565 57.172 1.036 -22.805 1.00 0.00 H new ATOM 0 HB3 GLU A 565 56.559 2.542 -22.152 1.00 0.00 H new ATOM 0 HG2 GLU A 565 58.641 3.034 -21.033 1.00 0.00 H new ATOM 0 HG3 GLU A 565 59.225 1.393 -21.221 1.00 0.00 H new ATOM 708 N HIS A 566 58.524 -0.279 -19.674 1.00 0.00 N ATOM 709 CA HIS A 566 59.315 -1.460 -19.342 1.00 0.00 C ATOM 710 C HIS A 566 58.501 -2.450 -18.506 1.00 0.00 C ATOM 711 O HIS A 566 58.529 -3.653 -18.762 1.00 0.00 O ATOM 712 CB HIS A 566 60.572 -1.043 -18.577 1.00 0.00 C ATOM 713 CG HIS A 566 61.683 -0.591 -19.486 1.00 0.00 C ATOM 714 ND1 HIS A 566 61.982 0.749 -19.676 1.00 0.00 N ATOM 715 CD2 HIS A 566 62.554 -1.286 -20.288 1.00 0.00 C ATOM 716 CE1 HIS A 566 62.994 0.818 -20.561 1.00 0.00 C ATOM 717 NE2 HIS A 566 63.380 -0.395 -20.967 1.00 0.00 N ATOM 0 H HIS A 566 58.838 0.580 -19.223 1.00 0.00 H new ATOM 0 HA HIS A 566 59.601 -1.953 -20.271 1.00 0.00 H new ATOM 0 HB2 HIS A 566 60.322 -0.237 -17.887 1.00 0.00 H new ATOM 0 HB3 HIS A 566 60.920 -1.882 -17.974 1.00 0.00 H new ATOM 0 HD1 HIS A 566 61.519 1.539 -19.227 1.00 0.00 H new ATOM 0 HD2 HIS A 566 62.592 -2.362 -20.378 1.00 0.00 H new ATOM 0 HE1 HIS A 566 63.439 1.741 -20.901 1.00 0.00 H new ATOM 725 N MET A 567 57.749 -1.936 -17.530 1.00 0.00 N ATOM 726 CA MET A 567 56.967 -2.789 -16.635 1.00 0.00 C ATOM 727 C MET A 567 55.895 -3.561 -17.408 1.00 0.00 C ATOM 728 O MET A 567 55.556 -4.690 -17.051 1.00 0.00 O ATOM 729 CB MET A 567 56.297 -1.934 -15.554 1.00 0.00 C ATOM 730 CG MET A 567 55.754 -2.836 -14.443 1.00 0.00 C ATOM 731 SD MET A 567 54.839 -1.834 -13.246 1.00 0.00 S ATOM 732 CE MET A 567 56.229 -0.818 -12.690 1.00 0.00 C ATOM 0 H MET A 567 57.666 -0.937 -17.340 1.00 0.00 H new ATOM 0 HA MET A 567 57.646 -3.505 -16.172 1.00 0.00 H new ATOM 0 HB2 MET A 567 57.015 -1.225 -15.141 1.00 0.00 H new ATOM 0 HB3 MET A 567 55.486 -1.350 -15.990 1.00 0.00 H new ATOM 0 HG2 MET A 567 55.103 -3.601 -14.866 1.00 0.00 H new ATOM 0 HG3 MET A 567 56.575 -3.355 -13.947 1.00 0.00 H new ATOM 0 HE1 MET A 567 56.039 -0.465 -11.676 1.00 0.00 H new ATOM 0 HE2 MET A 567 57.142 -1.413 -12.702 1.00 0.00 H new ATOM 0 HE3 MET A 567 56.344 0.037 -13.356 1.00 0.00 H new ATOM 742 N LYS A 568 55.376 -2.951 -18.476 1.00 0.00 N ATOM 743 CA LYS A 568 54.345 -3.596 -19.289 1.00 0.00 C ATOM 744 C LYS A 568 54.923 -4.802 -20.032 1.00 0.00 C ATOM 745 O LYS A 568 54.231 -5.798 -20.247 1.00 0.00 O ATOM 746 CB LYS A 568 53.768 -2.599 -20.296 1.00 0.00 C ATOM 747 CG LYS A 568 53.053 -1.471 -19.548 1.00 0.00 C ATOM 748 CD LYS A 568 52.375 -0.539 -20.553 1.00 0.00 C ATOM 749 CE LYS A 568 51.765 0.653 -19.814 1.00 0.00 C ATOM 750 NZ LYS A 568 51.530 1.766 -20.776 1.00 0.00 N ATOM 0 H LYS A 568 55.650 -2.022 -18.795 1.00 0.00 H new ATOM 0 HA LYS A 568 53.550 -3.939 -18.626 1.00 0.00 H new ATOM 0 HB2 LYS A 568 54.566 -2.190 -20.916 1.00 0.00 H new ATOM 0 HB3 LYS A 568 53.072 -3.104 -20.965 1.00 0.00 H new ATOM 0 HG2 LYS A 568 52.312 -1.886 -18.865 1.00 0.00 H new ATOM 0 HG3 LYS A 568 53.767 -0.912 -18.943 1.00 0.00 H new ATOM 0 HD2 LYS A 568 53.100 -0.192 -21.289 1.00 0.00 H new ATOM 0 HD3 LYS A 568 51.600 -1.077 -21.099 1.00 0.00 H new ATOM 0 HE2 LYS A 568 50.826 0.361 -19.343 1.00 0.00 H new ATOM 0 HE3 LYS A 568 52.433 0.981 -19.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 51.115 2.577 -20.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 52.433 2.050 -21.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 50.877 1.449 -21.521 1.00 0.00 H new ATOM 764 N ASN A 569 56.194 -4.701 -20.422 1.00 0.00 N ATOM 765 CA ASN A 569 56.881 -5.806 -21.095 1.00 0.00 C ATOM 766 C ASN A 569 57.074 -6.983 -20.128 1.00 0.00 C ATOM 767 O ASN A 569 57.456 -6.778 -18.974 1.00 0.00 O ATOM 768 CB ASN A 569 58.247 -5.326 -21.606 1.00 0.00 C ATOM 769 CG ASN A 569 58.646 -6.096 -22.861 1.00 0.00 C ATOM 770 OD1 ASN A 569 58.024 -5.937 -23.912 1.00 0.00 O ATOM 771 ND2 ASN A 569 59.652 -6.925 -22.814 1.00 0.00 N ATOM 0 H ASN A 569 56.768 -3.869 -20.285 1.00 0.00 H new ATOM 0 HA ASN A 569 56.273 -6.140 -21.936 1.00 0.00 H new ATOM 0 HB2 ASN A 569 58.206 -4.259 -21.824 1.00 0.00 H new ATOM 0 HB3 ASN A 569 59.001 -5.465 -20.831 1.00 0.00 H new ATOM 0 HD21 ASN A 569 59.925 -7.443 -23.649 1.00 0.00 H new ATOM 0 HD22 ASN A 569 60.166 -7.055 -21.942 1.00 0.00 H new ATOM 778 N PRO A 570 56.834 -8.204 -20.569 1.00 0.00 N ATOM 779 CA PRO A 570 56.779 -9.379 -19.642 1.00 0.00 C ATOM 780 C PRO A 570 58.145 -9.725 -19.046 1.00 0.00 C ATOM 781 O PRO A 570 58.258 -9.977 -17.844 1.00 0.00 O ATOM 782 CB PRO A 570 56.255 -10.522 -20.516 1.00 0.00 C ATOM 783 CG PRO A 570 56.624 -10.153 -21.911 1.00 0.00 C ATOM 784 CD PRO A 570 56.629 -8.627 -21.972 1.00 0.00 C ATOM 0 HA PRO A 570 56.145 -9.176 -18.779 1.00 0.00 H new ATOM 0 HB2 PRO A 570 56.703 -11.473 -20.229 1.00 0.00 H new ATOM 0 HB3 PRO A 570 55.176 -10.634 -20.411 1.00 0.00 H new ATOM 0 HG2 PRO A 570 57.603 -10.554 -22.172 1.00 0.00 H new ATOM 0 HG3 PRO A 570 55.910 -10.567 -22.623 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.425 -8.258 -22.619 1.00 0.00 H new ATOM 0 HD3 PRO A 570 55.690 -8.242 -22.370 1.00 0.00 H new ATOM 792 N GLU A 571 59.187 -9.687 -19.879 1.00 0.00 N ATOM 793 CA GLU A 571 60.522 -10.080 -19.431 1.00 0.00 C ATOM 794 C GLU A 571 61.051 -9.067 -18.420 1.00 0.00 C ATOM 795 O GLU A 571 61.572 -9.434 -17.360 1.00 0.00 O ATOM 796 CB GLU A 571 61.475 -10.170 -20.627 1.00 0.00 C ATOM 797 CG GLU A 571 62.781 -10.845 -20.196 1.00 0.00 C ATOM 798 CD GLU A 571 63.787 -10.819 -21.343 1.00 0.00 C ATOM 799 OE1 GLU A 571 63.888 -9.793 -21.996 1.00 0.00 O ATOM 800 OE2 GLU A 571 64.441 -11.827 -21.553 1.00 0.00 O ATOM 0 H GLU A 571 59.133 -9.392 -20.854 1.00 0.00 H new ATOM 0 HA GLU A 571 60.460 -11.059 -18.955 1.00 0.00 H new ATOM 0 HB2 GLU A 571 61.010 -10.737 -21.433 1.00 0.00 H new ATOM 0 HB3 GLU A 571 61.681 -9.173 -21.016 1.00 0.00 H new ATOM 0 HG2 GLU A 571 63.195 -10.333 -19.327 1.00 0.00 H new ATOM 0 HG3 GLU A 571 62.586 -11.875 -19.896 1.00 0.00 H new ATOM 807 N VAL A 572 60.825 -7.789 -18.709 1.00 0.00 N ATOM 808 CA VAL A 572 61.238 -6.735 -17.795 1.00 0.00 C ATOM 809 C VAL A 572 60.325 -6.730 -16.569 1.00 0.00 C ATOM 810 O VAL A 572 60.777 -6.462 -15.464 1.00 0.00 O ATOM 811 CB VAL A 572 61.205 -5.372 -18.499 1.00 0.00 C ATOM 812 CG1 VAL A 572 61.686 -4.274 -17.541 1.00 0.00 C ATOM 813 CG2 VAL A 572 62.125 -5.406 -19.721 1.00 0.00 C ATOM 0 H VAL A 572 60.364 -7.463 -19.558 1.00 0.00 H new ATOM 0 HA VAL A 572 62.262 -6.925 -17.472 1.00 0.00 H new ATOM 0 HB VAL A 572 60.182 -5.159 -18.810 1.00 0.00 H new ATOM 0 HG11 VAL A 572 61.659 -3.310 -18.049 1.00 0.00 H new ATOM 0 HG12 VAL A 572 61.034 -4.242 -16.668 1.00 0.00 H new ATOM 0 HG13 VAL A 572 62.707 -4.489 -17.224 1.00 0.00 H new ATOM 0 HG21 VAL A 572 62.102 -4.438 -20.221 1.00 0.00 H new ATOM 0 HG22 VAL A 572 63.144 -5.626 -19.403 1.00 0.00 H new ATOM 0 HG23 VAL A 572 61.786 -6.179 -20.411 1.00 0.00 H new ATOM 823 N PHE A 573 59.049 -7.085 -16.761 1.00 0.00 N ATOM 824 CA PHE A 573 58.090 -7.114 -15.651 1.00 0.00 C ATOM 825 C PHE A 573 58.615 -7.973 -14.497 1.00 0.00 C ATOM 826 O PHE A 573 58.621 -7.537 -13.345 1.00 0.00 O ATOM 827 CB PHE A 573 56.749 -7.675 -16.145 1.00 0.00 C ATOM 828 CG PHE A 573 55.671 -7.732 -15.083 1.00 0.00 C ATOM 829 CD1 PHE A 573 55.096 -6.537 -14.590 1.00 0.00 C ATOM 830 CD2 PHE A 573 55.236 -8.986 -14.587 1.00 0.00 C ATOM 831 CE1 PHE A 573 54.083 -6.594 -13.601 1.00 0.00 C ATOM 832 CE2 PHE A 573 54.225 -9.042 -13.597 1.00 0.00 C ATOM 833 CZ PHE A 573 53.648 -7.847 -13.105 1.00 0.00 C ATOM 0 H PHE A 573 58.660 -7.354 -17.665 1.00 0.00 H new ATOM 0 HA PHE A 573 57.952 -6.096 -15.286 1.00 0.00 H new ATOM 0 HB2 PHE A 573 56.395 -7.062 -16.974 1.00 0.00 H new ATOM 0 HB3 PHE A 573 56.910 -8.679 -16.537 1.00 0.00 H new ATOM 0 HD1 PHE A 573 55.429 -5.582 -14.967 1.00 0.00 H new ATOM 0 HD2 PHE A 573 55.675 -9.898 -14.964 1.00 0.00 H new ATOM 0 HE1 PHE A 573 53.643 -5.682 -13.226 1.00 0.00 H new ATOM 0 HE2 PHE A 573 53.894 -9.997 -13.217 1.00 0.00 H new ATOM 0 HZ PHE A 573 52.876 -7.891 -12.351 1.00 0.00 H new ATOM 843 N LYS A 574 59.112 -9.167 -14.825 1.00 0.00 N ATOM 844 CA LYS A 574 59.679 -10.061 -13.811 1.00 0.00 C ATOM 845 C LYS A 574 60.871 -9.408 -13.105 1.00 0.00 C ATOM 846 O LYS A 574 60.924 -9.354 -11.876 1.00 0.00 O ATOM 847 CB LYS A 574 60.136 -11.366 -14.467 1.00 0.00 C ATOM 848 CG LYS A 574 58.921 -12.104 -15.036 1.00 0.00 C ATOM 849 CD LYS A 574 59.333 -13.512 -15.472 1.00 0.00 C ATOM 850 CE LYS A 574 60.191 -13.428 -16.736 1.00 0.00 C ATOM 851 NZ LYS A 574 59.335 -13.038 -17.892 1.00 0.00 N ATOM 0 H LYS A 574 59.134 -9.536 -15.776 1.00 0.00 H new ATOM 0 HA LYS A 574 58.905 -10.267 -13.072 1.00 0.00 H new ATOM 0 HB2 LYS A 574 60.852 -11.155 -15.262 1.00 0.00 H new ATOM 0 HB3 LYS A 574 60.647 -11.993 -13.736 1.00 0.00 H new ATOM 0 HG2 LYS A 574 58.133 -12.161 -14.285 1.00 0.00 H new ATOM 0 HG3 LYS A 574 58.514 -11.554 -15.884 1.00 0.00 H new ATOM 0 HD2 LYS A 574 59.891 -14.002 -14.674 1.00 0.00 H new ATOM 0 HD3 LYS A 574 58.447 -14.119 -15.661 1.00 0.00 H new ATOM 0 HE2 LYS A 574 60.990 -12.699 -16.599 1.00 0.00 H new ATOM 0 HE3 LYS A 574 60.667 -14.389 -16.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 59.857 -13.193 -18.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 58.470 -13.616 -17.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 59.080 -12.033 -17.811 1.00 0.00 H new ATOM 865 N LYS A 575 61.793 -8.855 -13.895 1.00 0.00 N ATOM 866 CA LYS A 575 63.028 -8.287 -13.344 1.00 0.00 C ATOM 867 C LYS A 575 62.738 -7.083 -12.441 1.00 0.00 C ATOM 868 O LYS A 575 63.191 -7.027 -11.292 1.00 0.00 O ATOM 869 CB LYS A 575 63.951 -7.857 -14.483 1.00 0.00 C ATOM 870 CG LYS A 575 64.631 -9.088 -15.085 1.00 0.00 C ATOM 871 CD LYS A 575 65.630 -8.646 -16.156 1.00 0.00 C ATOM 872 CE LYS A 575 66.239 -9.880 -16.826 1.00 0.00 C ATOM 873 NZ LYS A 575 66.800 -9.499 -18.153 1.00 0.00 N ATOM 0 H LYS A 575 61.711 -8.788 -14.909 1.00 0.00 H new ATOM 0 HA LYS A 575 63.511 -9.056 -12.742 1.00 0.00 H new ATOM 0 HB2 LYS A 575 63.380 -7.333 -15.249 1.00 0.00 H new ATOM 0 HB3 LYS A 575 64.702 -7.159 -14.112 1.00 0.00 H new ATOM 0 HG2 LYS A 575 65.143 -9.652 -14.305 1.00 0.00 H new ATOM 0 HG3 LYS A 575 63.885 -9.752 -15.521 1.00 0.00 H new ATOM 0 HD2 LYS A 575 65.131 -8.024 -16.899 1.00 0.00 H new ATOM 0 HD3 LYS A 575 66.415 -8.038 -15.707 1.00 0.00 H new ATOM 0 HE2 LYS A 575 67.022 -10.300 -16.195 1.00 0.00 H new ATOM 0 HE3 LYS A 575 65.480 -10.652 -16.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 66.386 -10.103 -18.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 66.573 -8.504 -18.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 67.832 -9.624 -18.142 1.00 0.00 H new ATOM 887 N ILE A 576 61.958 -6.134 -12.958 1.00 0.00 N ATOM 888 CA ILE A 576 61.642 -4.905 -12.218 1.00 0.00 C ATOM 889 C ILE A 576 61.011 -5.253 -10.859 1.00 0.00 C ATOM 890 O ILE A 576 61.461 -4.781 -9.813 1.00 0.00 O ATOM 891 CB ILE A 576 60.678 -4.024 -13.045 1.00 0.00 C ATOM 892 CG1 ILE A 576 61.306 -3.691 -14.419 1.00 0.00 C ATOM 893 CG2 ILE A 576 60.348 -2.729 -12.283 1.00 0.00 C ATOM 894 CD1 ILE A 576 62.409 -2.632 -14.298 1.00 0.00 C ATOM 0 H ILE A 576 61.533 -6.189 -13.883 1.00 0.00 H new ATOM 0 HA ILE A 576 62.564 -4.350 -12.043 1.00 0.00 H new ATOM 0 HB ILE A 576 59.753 -4.577 -13.206 1.00 0.00 H new ATOM 0 HG12 ILE A 576 61.720 -4.598 -14.859 1.00 0.00 H new ATOM 0 HG13 ILE A 576 60.531 -3.333 -15.096 1.00 0.00 H new ATOM 0 HG21 ILE A 576 59.668 -2.120 -12.879 1.00 0.00 H new ATOM 0 HG22 ILE A 576 59.875 -2.977 -11.333 1.00 0.00 H new ATOM 0 HG23 ILE A 576 61.266 -2.172 -12.097 1.00 0.00 H new ATOM 0 HD11 ILE A 576 62.825 -2.426 -15.284 1.00 0.00 H new ATOM 0 HD12 ILE A 576 61.990 -1.716 -13.882 1.00 0.00 H new ATOM 0 HD13 ILE A 576 63.197 -3.001 -13.642 1.00 0.00 H new ATOM 906 N GLN A 577 60.006 -6.132 -10.882 1.00 0.00 N ATOM 907 CA GLN A 577 59.321 -6.542 -9.654 1.00 0.00 C ATOM 908 C GLN A 577 60.292 -7.159 -8.645 1.00 0.00 C ATOM 909 O GLN A 577 60.161 -6.942 -7.442 1.00 0.00 O ATOM 910 CB GLN A 577 58.223 -7.557 -9.980 1.00 0.00 C ATOM 911 CG GLN A 577 57.077 -6.855 -10.710 1.00 0.00 C ATOM 912 CD GLN A 577 55.912 -7.819 -10.897 1.00 0.00 C ATOM 913 OE1 GLN A 577 56.076 -8.886 -11.488 1.00 0.00 O ATOM 914 NE2 GLN A 577 54.737 -7.507 -10.423 1.00 0.00 N ATOM 0 H GLN A 577 59.650 -6.571 -11.731 1.00 0.00 H new ATOM 0 HA GLN A 577 58.884 -5.648 -9.209 1.00 0.00 H new ATOM 0 HB2 GLN A 577 58.626 -8.358 -10.600 1.00 0.00 H new ATOM 0 HB3 GLN A 577 57.856 -8.018 -9.063 1.00 0.00 H new ATOM 0 HG2 GLN A 577 56.752 -5.984 -10.141 1.00 0.00 H new ATOM 0 HG3 GLN A 577 57.420 -6.493 -11.679 1.00 0.00 H new ATOM 0 HE21 GLN A 577 54.603 -6.622 -9.933 1.00 0.00 H new ATOM 0 HE22 GLN A 577 53.952 -8.148 -10.542 1.00 0.00 H new ATOM 923 N THR A 578 61.271 -7.920 -9.142 1.00 0.00 N ATOM 924 CA THR A 578 62.207 -8.631 -8.267 1.00 0.00 C ATOM 925 C THR A 578 62.914 -7.670 -7.305 1.00 0.00 C ATOM 926 O THR A 578 62.882 -7.870 -6.088 1.00 0.00 O ATOM 927 CB THR A 578 63.251 -9.374 -9.112 1.00 0.00 C ATOM 928 OG1 THR A 578 62.591 -10.131 -10.115 1.00 0.00 O ATOM 929 CG2 THR A 578 64.074 -10.316 -8.223 1.00 0.00 C ATOM 0 H THR A 578 61.436 -8.059 -10.139 1.00 0.00 H new ATOM 0 HA THR A 578 61.635 -9.346 -7.675 1.00 0.00 H new ATOM 0 HB THR A 578 63.918 -8.647 -9.576 1.00 0.00 H new ATOM 0 HG1 THR A 578 62.363 -9.547 -10.868 1.00 0.00 H new ATOM 0 HG21 THR A 578 64.812 -10.839 -8.832 1.00 0.00 H new ATOM 0 HG22 THR A 578 64.583 -9.737 -7.453 1.00 0.00 H new ATOM 0 HG23 THR A 578 63.412 -11.043 -7.752 1.00 0.00 H new ATOM 937 N LEU A 579 63.493 -6.598 -7.842 1.00 0.00 N ATOM 938 CA LEU A 579 64.258 -5.671 -7.002 1.00 0.00 C ATOM 939 C LEU A 579 63.345 -4.896 -6.054 1.00 0.00 C ATOM 940 O LEU A 579 63.747 -4.563 -4.938 1.00 0.00 O ATOM 941 CB LEU A 579 65.070 -4.687 -7.856 1.00 0.00 C ATOM 942 CG LEU A 579 66.041 -5.434 -8.796 1.00 0.00 C ATOM 943 CD1 LEU A 579 67.000 -4.425 -9.441 1.00 0.00 C ATOM 944 CD2 LEU A 579 66.866 -6.474 -8.023 1.00 0.00 C ATOM 0 H LEU A 579 63.451 -6.351 -8.831 1.00 0.00 H new ATOM 0 HA LEU A 579 64.947 -6.273 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 579 64.393 -4.068 -8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.632 -4.016 -7.207 1.00 0.00 H new ATOM 0 HG LEU A 579 65.453 -5.946 -9.558 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.687 -4.949 -10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 579 66.428 -3.694 -10.013 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.567 -3.913 -8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 579 67.541 -6.985 -8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.446 -5.974 -7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 579 66.196 -7.201 -7.564 1.00 0.00 H new ATOM 956 N ILE A 580 62.118 -4.608 -6.496 1.00 0.00 N ATOM 957 CA ILE A 580 61.169 -3.867 -5.660 1.00 0.00 C ATOM 958 C ILE A 580 60.784 -4.692 -4.427 1.00 0.00 C ATOM 959 O ILE A 580 60.824 -4.194 -3.301 1.00 0.00 O ATOM 960 CB ILE A 580 59.912 -3.515 -6.476 1.00 0.00 C ATOM 961 CG1 ILE A 580 60.318 -2.697 -7.707 1.00 0.00 C ATOM 962 CG2 ILE A 580 58.949 -2.683 -5.619 1.00 0.00 C ATOM 963 CD1 ILE A 580 59.121 -2.554 -8.653 1.00 0.00 C ATOM 0 H ILE A 580 61.762 -4.872 -7.415 1.00 0.00 H new ATOM 0 HA ILE A 580 61.644 -2.945 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 580 59.419 -4.436 -6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 580 60.671 -1.712 -7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 580 61.145 -3.185 -8.223 1.00 0.00 H new ATOM 0 HG21 ILE A 580 58.062 -2.438 -6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 580 58.657 -3.256 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 580 59.443 -1.763 -5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 580 59.415 -1.972 -9.526 1.00 0.00 H new ATOM 0 HD12 ILE A 580 58.788 -3.542 -8.971 1.00 0.00 H new ATOM 0 HD13 ILE A 580 58.307 -2.046 -8.136 1.00 0.00 H new ATOM 975 N ALA A 581 60.414 -5.954 -4.652 1.00 0.00 N ATOM 976 CA ALA A 581 60.046 -6.856 -3.560 1.00 0.00 C ATOM 977 C ALA A 581 61.209 -7.049 -2.584 1.00 0.00 C ATOM 978 O ALA A 581 61.001 -7.235 -1.385 1.00 0.00 O ATOM 979 CB ALA A 581 59.628 -8.217 -4.123 1.00 0.00 C ATOM 0 H ALA A 581 60.361 -6.374 -5.580 1.00 0.00 H new ATOM 0 HA ALA A 581 59.212 -6.406 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 581 59.356 -8.882 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 581 58.772 -8.089 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 581 60.458 -8.650 -4.681 1.00 0.00 H new ATOM 985 N ALA A 582 62.432 -7.001 -3.113 1.00 0.00 N ATOM 986 CA ALA A 582 63.629 -7.129 -2.282 1.00 0.00 C ATOM 987 C ALA A 582 63.892 -5.860 -1.457 1.00 0.00 C ATOM 988 O ALA A 582 64.777 -5.855 -0.599 1.00 0.00 O ATOM 989 CB ALA A 582 64.843 -7.425 -3.165 1.00 0.00 C ATOM 0 H ALA A 582 62.619 -6.875 -4.108 1.00 0.00 H new ATOM 0 HA ALA A 582 63.462 -7.952 -1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 582 65.732 -7.519 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 582 64.680 -8.356 -3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 582 64.983 -6.611 -3.876 1.00 0.00 H new ATOM 995 N GLY A 583 63.129 -4.789 -1.709 1.00 0.00 N ATOM 996 CA GLY A 583 63.309 -3.539 -0.974 1.00 0.00 C ATOM 997 C GLY A 583 64.578 -2.803 -1.406 1.00 0.00 C ATOM 998 O GLY A 583 65.149 -2.035 -0.630 1.00 0.00 O ATOM 0 H GLY A 583 62.389 -4.766 -2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 583 62.444 -2.896 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 583 63.357 -3.749 0.094 1.00 0.00 H new ATOM 1002 N ILE A 584 65.014 -3.040 -2.644 1.00 0.00 N ATOM 1003 CA ILE A 584 66.191 -2.353 -3.182 1.00 0.00 C ATOM 1004 C ILE A 584 65.792 -1.043 -3.864 1.00 0.00 C ATOM 1005 O ILE A 584 66.604 -0.123 -3.972 1.00 0.00 O ATOM 1006 CB ILE A 584 66.925 -3.240 -4.198 1.00 0.00 C ATOM 1007 CG1 ILE A 584 67.052 -4.670 -3.648 1.00 0.00 C ATOM 1008 CG2 ILE A 584 68.323 -2.662 -4.445 1.00 0.00 C ATOM 1009 CD1 ILE A 584 67.676 -5.598 -4.699 1.00 0.00 C ATOM 0 H ILE A 584 64.575 -3.697 -3.289 1.00 0.00 H new ATOM 0 HA ILE A 584 66.854 -2.138 -2.344 1.00 0.00 H new ATOM 0 HB ILE A 584 66.363 -3.267 -5.132 1.00 0.00 H new ATOM 0 HG12 ILE A 584 67.666 -4.666 -2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 584 66.069 -5.044 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 584 68.852 -3.285 -5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 584 68.234 -1.649 -4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 584 68.878 -2.640 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 584 67.758 -6.606 -4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 584 67.046 -5.616 -5.588 1.00 0.00 H new ATOM 0 HD13 ILE A 584 68.668 -5.232 -4.964 1.00 0.00 H new ATOM 1021 N ILE A 585 64.539 -0.963 -4.318 1.00 0.00 N ATOM 1022 CA ILE A 585 64.067 0.204 -5.059 1.00 0.00 C ATOM 1023 C ILE A 585 62.859 0.812 -4.347 1.00 0.00 C ATOM 1024 O ILE A 585 62.066 0.094 -3.736 1.00 0.00 O ATOM 1025 CB ILE A 585 63.679 -0.202 -6.489 1.00 0.00 C ATOM 1026 CG1 ILE A 585 64.846 -0.941 -7.155 1.00 0.00 C ATOM 1027 CG2 ILE A 585 63.346 1.046 -7.310 1.00 0.00 C ATOM 1028 CD1 ILE A 585 64.378 -1.547 -8.481 1.00 0.00 C ATOM 0 H ILE A 585 63.837 -1.691 -4.185 1.00 0.00 H new ATOM 0 HA ILE A 585 64.867 0.943 -5.106 1.00 0.00 H new ATOM 0 HB ILE A 585 62.808 -0.856 -6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 585 65.673 -0.253 -7.329 1.00 0.00 H new ATOM 0 HG13 ILE A 585 65.217 -1.725 -6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 585 63.072 0.752 -8.323 1.00 0.00 H new ATOM 0 HG22 ILE A 585 62.513 1.574 -6.847 1.00 0.00 H new ATOM 0 HG23 ILE A 585 64.216 1.701 -7.345 1.00 0.00 H new ATOM 0 HD11 ILE A 585 65.208 -2.072 -8.954 1.00 0.00 H new ATOM 0 HD12 ILE A 585 63.565 -2.248 -8.294 1.00 0.00 H new ATOM 0 HD13 ILE A 585 64.028 -0.753 -9.141 1.00 0.00 H new ATOM 1040 N ARG A 586 62.725 2.135 -4.430 1.00 0.00 N ATOM 1041 CA ARG A 586 61.620 2.829 -3.772 1.00 0.00 C ATOM 1042 C ARG A 586 61.023 3.888 -4.694 1.00 0.00 C ATOM 1043 O ARG A 586 61.750 4.595 -5.394 1.00 0.00 O ATOM 1044 CB ARG A 586 62.111 3.490 -2.482 1.00 0.00 C ATOM 1045 CG ARG A 586 62.540 2.410 -1.486 1.00 0.00 C ATOM 1046 CD ARG A 586 62.956 3.065 -0.169 1.00 0.00 C ATOM 1047 NE ARG A 586 61.790 3.651 0.496 1.00 0.00 N ATOM 1048 CZ ARG A 586 60.844 2.902 1.078 1.00 0.00 C ATOM 1049 NH1 ARG A 586 60.916 1.591 1.082 1.00 0.00 N ATOM 1050 NH2 ARG A 586 59.829 3.487 1.653 1.00 0.00 N ATOM 0 H ARG A 586 63.363 2.744 -4.943 1.00 0.00 H new ATOM 0 HA ARG A 586 60.849 2.097 -3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 586 62.948 4.154 -2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 586 61.320 4.103 -2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 586 61.720 1.713 -1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 586 63.369 1.832 -1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 586 63.421 2.325 0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 586 63.702 3.837 -0.358 1.00 0.00 H new ATOM 0 HE ARG A 586 61.695 4.666 0.517 1.00 0.00 H new ATOM 0 HH11 ARG A 586 61.704 1.122 0.636 1.00 0.00 H new ATOM 0 HH12 ARG A 586 60.184 1.041 1.531 1.00 0.00 H new ATOM 0 HH21 ARG A 586 59.762 4.505 1.656 1.00 0.00 H new ATOM 0 HH22 ARG A 586 59.103 2.926 2.099 1.00 0.00 H new