USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=11 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 551 SER OG : rot -72:sc= 0.74 USER MOD Set 1.2: A 555 GLN : amide:sc= 0.671 K(o=1.4,f=-0.43) USER MOD Set 2.1: A 535 MET CE :methyl -162:sc= -2.18 (180deg=-2.81) USER MOD Set 2.2: A 544 MET CE :methyl -121:sc= -4.56! (180deg=-7.08!) USER MOD Single : A 530 THR OG1 : rot 180:sc= 0.00901 USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 532 GLN : amide:sc= -0.21 K(o=-0.21,f=-0.83) USER MOD Single : A 536 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0308) USER MOD Single : A 545 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 549 MET CE :methyl 143:sc= -4.74 (180deg=-9.06!) USER MOD Single : A 550 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 554 GLN : amide:sc=-0.00145 K(o=-0.0014,f=-0.83) USER MOD Single : A 557 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 558 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 559 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 564 GLN : amide:sc=-0.00571 K(o=-0.0057,f=-0.77) USER MOD Single : A 566 HIS : no HD1:sc= -6.66! C(o=-6.7!,f=-9!) USER MOD Single : A 567 MET CE :methyl -155:sc= -0.321 (180deg=-1.24) USER MOD Single : A 568 LYS NZ :NH3+ 179:sc= -0.325 (180deg=-0.326) USER MOD Single : A 569 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.6) USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 LYS NZ :NH3+ 139:sc= 1.08 (180deg=-0.183) USER MOD Single : A 577 GLN : amide:sc= -5.44 X(o=-5.4,f=-5.6!) USER MOD Single : A 578 THR OG1 : rot 87:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 527 69.407 -0.112 5.759 1.00 0.00 N ATOM 108 CA PRO A 527 69.250 -0.532 4.328 1.00 0.00 C ATOM 109 C PRO A 527 70.266 -1.602 3.924 1.00 0.00 C ATOM 110 O PRO A 527 69.994 -2.436 3.058 1.00 0.00 O ATOM 111 CB PRO A 527 69.471 0.758 3.529 1.00 0.00 C ATOM 112 CG PRO A 527 69.189 1.869 4.481 1.00 0.00 C ATOM 113 CD PRO A 527 69.565 1.353 5.867 1.00 0.00 C ATOM 0 HA PRO A 527 68.274 -0.983 4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 527 70.492 0.815 3.150 1.00 0.00 H new ATOM 0 HB3 PRO A 527 68.808 0.803 2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 527 69.769 2.756 4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 527 68.138 2.154 4.445 1.00 0.00 H new ATOM 0 HD2 PRO A 527 70.587 1.626 6.131 1.00 0.00 H new ATOM 0 HD3 PRO A 527 68.915 1.769 6.637 1.00 0.00 H new ATOM 121 N GLU A 528 71.429 -1.591 4.580 1.00 0.00 N ATOM 122 CA GLU A 528 72.476 -2.574 4.294 1.00 0.00 C ATOM 123 C GLU A 528 71.970 -3.995 4.554 1.00 0.00 C ATOM 124 O GLU A 528 72.307 -4.927 3.821 1.00 0.00 O ATOM 125 CB GLU A 528 73.705 -2.299 5.167 1.00 0.00 C ATOM 126 CG GLU A 528 74.890 -3.131 4.668 1.00 0.00 C ATOM 127 CD GLU A 528 76.079 -2.968 5.611 1.00 0.00 C ATOM 128 OE1 GLU A 528 75.865 -2.982 6.812 1.00 0.00 O ATOM 129 OE2 GLU A 528 77.186 -2.832 5.117 1.00 0.00 O ATOM 0 H GLU A 528 71.668 -0.917 5.308 1.00 0.00 H new ATOM 0 HA GLU A 528 72.750 -2.487 3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 528 73.955 -1.238 5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 528 73.487 -2.545 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 528 74.606 -4.182 4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 528 75.168 -2.816 3.662 1.00 0.00 H new ATOM 136 N GLU A 529 71.119 -4.143 5.571 1.00 0.00 N ATOM 137 CA GLU A 529 70.578 -5.453 5.920 1.00 0.00 C ATOM 138 C GLU A 529 69.663 -5.962 4.810 1.00 0.00 C ATOM 139 O GLU A 529 69.700 -7.141 4.453 1.00 0.00 O ATOM 140 CB GLU A 529 69.792 -5.359 7.228 1.00 0.00 C ATOM 141 CG GLU A 529 69.646 -6.755 7.839 1.00 0.00 C ATOM 142 CD GLU A 529 68.733 -6.698 9.060 1.00 0.00 C ATOM 143 OE1 GLU A 529 67.714 -6.031 8.984 1.00 0.00 O ATOM 144 OE2 GLU A 529 69.066 -7.324 10.053 1.00 0.00 O ATOM 0 H GLU A 529 70.793 -3.378 6.161 1.00 0.00 H new ATOM 0 HA GLU A 529 71.407 -6.150 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 529 70.305 -4.697 7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 529 68.809 -4.927 7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 529 69.236 -7.443 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 529 70.625 -7.140 8.124 1.00 0.00 H new ATOM 151 N THR A 530 68.866 -5.055 4.240 1.00 0.00 N ATOM 152 CA THR A 530 67.950 -5.416 3.156 1.00 0.00 C ATOM 153 C THR A 530 68.718 -5.973 1.959 1.00 0.00 C ATOM 154 O THR A 530 68.330 -6.989 1.382 1.00 0.00 O ATOM 155 CB THR A 530 67.148 -4.188 2.719 1.00 0.00 C ATOM 156 OG1 THR A 530 66.663 -3.508 3.868 1.00 0.00 O ATOM 157 CG2 THR A 530 65.967 -4.628 1.850 1.00 0.00 C ATOM 0 H THR A 530 68.836 -4.072 4.509 1.00 0.00 H new ATOM 0 HA THR A 530 67.271 -6.185 3.526 1.00 0.00 H new ATOM 0 HB THR A 530 67.791 -3.521 2.144 1.00 0.00 H new ATOM 0 HG1 THR A 530 66.151 -2.720 3.590 1.00 0.00 H new ATOM 0 HG21 THR A 530 65.397 -3.752 1.540 1.00 0.00 H new ATOM 0 HG22 THR A 530 66.339 -5.150 0.968 1.00 0.00 H new ATOM 0 HG23 THR A 530 65.323 -5.296 2.422 1.00 0.00 H new ATOM 165 N TYR A 531 69.825 -5.316 1.607 1.00 0.00 N ATOM 166 CA TYR A 531 70.648 -5.757 0.483 1.00 0.00 C ATOM 167 C TYR A 531 71.166 -7.181 0.698 1.00 0.00 C ATOM 168 O TYR A 531 71.064 -8.023 -0.192 1.00 0.00 O ATOM 169 CB TYR A 531 71.830 -4.802 0.289 1.00 0.00 C ATOM 170 CG TYR A 531 71.485 -3.569 -0.514 1.00 0.00 C ATOM 171 CD1 TYR A 531 70.443 -2.710 -0.085 1.00 0.00 C ATOM 172 CD2 TYR A 531 72.203 -3.272 -1.698 1.00 0.00 C ATOM 173 CE1 TYR A 531 70.121 -1.555 -0.839 1.00 0.00 C ATOM 174 CE2 TYR A 531 71.881 -2.118 -2.452 1.00 0.00 C ATOM 175 CZ TYR A 531 70.840 -1.259 -2.022 1.00 0.00 C ATOM 176 OH TYR A 531 70.526 -0.134 -2.757 1.00 0.00 O ATOM 0 H TYR A 531 70.169 -4.482 2.082 1.00 0.00 H new ATOM 0 HA TYR A 531 70.024 -5.751 -0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 531 72.204 -4.496 1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 531 72.640 -5.335 -0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 531 69.894 -2.936 0.817 1.00 0.00 H new ATOM 0 HD2 TYR A 531 72.997 -3.927 -2.026 1.00 0.00 H new ATOM 0 HE1 TYR A 531 69.327 -0.900 -0.511 1.00 0.00 H new ATOM 0 HE2 TYR A 531 72.429 -1.893 -3.355 1.00 0.00 H new ATOM 0 HH TYR A 531 71.115 -0.078 -3.538 1.00 0.00 H new ATOM 186 N GLN A 532 71.686 -7.457 1.896 1.00 0.00 N ATOM 187 CA GLN A 532 72.221 -8.789 2.207 1.00 0.00 C ATOM 188 C GLN A 532 71.155 -9.873 2.022 1.00 0.00 C ATOM 189 O GLN A 532 71.412 -10.912 1.406 1.00 0.00 O ATOM 190 CB GLN A 532 72.742 -8.826 3.646 1.00 0.00 C ATOM 191 CG GLN A 532 73.971 -7.922 3.769 1.00 0.00 C ATOM 192 CD GLN A 532 74.534 -7.996 5.185 1.00 0.00 C ATOM 193 OE1 GLN A 532 74.520 -9.059 5.806 1.00 0.00 O ATOM 194 NE2 GLN A 532 75.031 -6.922 5.736 1.00 0.00 N ATOM 0 H GLN A 532 71.749 -6.785 2.661 1.00 0.00 H new ATOM 0 HA GLN A 532 73.040 -8.988 1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 532 71.964 -8.495 4.334 1.00 0.00 H new ATOM 0 HB3 GLN A 532 73.000 -9.848 3.924 1.00 0.00 H new ATOM 0 HG2 GLN A 532 74.731 -8.228 3.050 1.00 0.00 H new ATOM 0 HG3 GLN A 532 73.701 -6.893 3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 532 75.042 -6.042 5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 532 75.409 -6.963 6.683 1.00 0.00 H new ATOM 203 N ARG A 533 69.938 -9.599 2.494 1.00 0.00 N ATOM 204 CA ARG A 533 68.841 -10.560 2.359 1.00 0.00 C ATOM 205 C ARG A 533 68.596 -10.876 0.884 1.00 0.00 C ATOM 206 O ARG A 533 68.634 -12.037 0.476 1.00 0.00 O ATOM 207 CB ARG A 533 67.563 -9.993 2.986 1.00 0.00 C ATOM 208 CG ARG A 533 66.512 -11.099 3.103 1.00 0.00 C ATOM 209 CD ARG A 533 65.210 -10.511 3.651 1.00 0.00 C ATOM 210 NE ARG A 533 64.225 -11.572 3.871 1.00 0.00 N ATOM 211 CZ ARG A 533 63.116 -11.382 4.601 1.00 0.00 C ATOM 212 NH1 ARG A 533 62.858 -10.223 5.161 1.00 0.00 N ATOM 213 NH2 ARG A 533 62.277 -12.369 4.758 1.00 0.00 N ATOM 0 H ARG A 533 69.688 -8.731 2.968 1.00 0.00 H new ATOM 0 HA ARG A 533 69.116 -11.478 2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 533 67.782 -9.580 3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 533 67.179 -9.176 2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 533 66.336 -11.553 2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 533 66.872 -11.889 3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 533 65.405 -9.987 4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 533 64.812 -9.776 2.951 1.00 0.00 H new ATOM 0 HE ARG A 533 64.388 -12.488 3.454 1.00 0.00 H new ATOM 0 HH11 ARG A 533 63.507 -9.445 5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 533 62.008 -10.101 5.712 1.00 0.00 H new ATOM 0 HH21 ARG A 533 62.468 -13.274 4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 533 61.430 -12.236 5.311 1.00 0.00 H new ATOM 227 N ALA A 534 68.492 -9.825 0.074 1.00 0.00 N ATOM 228 CA ALA A 534 68.261 -9.984 -1.364 1.00 0.00 C ATOM 229 C ALA A 534 69.417 -10.738 -2.029 1.00 0.00 C ATOM 230 O ALA A 534 69.210 -11.497 -2.977 1.00 0.00 O ATOM 231 CB ALA A 534 68.112 -8.609 -2.019 1.00 0.00 C ATOM 0 H ALA A 534 68.563 -8.856 0.385 1.00 0.00 H new ATOM 0 HA ALA A 534 67.347 -10.562 -1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 534 67.940 -8.732 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 534 67.267 -8.084 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 534 69.022 -8.031 -1.862 1.00 0.00 H new ATOM 237 N MET A 535 70.631 -10.528 -1.516 1.00 0.00 N ATOM 238 CA MET A 535 71.827 -11.148 -2.090 1.00 0.00 C ATOM 239 C MET A 535 71.759 -12.673 -1.998 1.00 0.00 C ATOM 240 O MET A 535 72.293 -13.374 -2.860 1.00 0.00 O ATOM 241 CB MET A 535 73.081 -10.650 -1.368 1.00 0.00 C ATOM 242 CG MET A 535 73.416 -9.234 -1.840 1.00 0.00 C ATOM 243 SD MET A 535 74.116 -9.307 -3.508 1.00 0.00 S ATOM 244 CE MET A 535 72.691 -8.619 -4.386 1.00 0.00 C ATOM 0 H MET A 535 70.812 -9.935 -0.706 1.00 0.00 H new ATOM 0 HA MET A 535 71.875 -10.865 -3.142 1.00 0.00 H new ATOM 0 HB2 MET A 535 72.919 -10.656 -0.290 1.00 0.00 H new ATOM 0 HB3 MET A 535 73.918 -11.319 -1.568 1.00 0.00 H new ATOM 0 HG2 MET A 535 72.518 -8.616 -1.837 1.00 0.00 H new ATOM 0 HG3 MET A 535 74.126 -8.769 -1.156 1.00 0.00 H new ATOM 0 HE1 MET A 535 72.766 -8.860 -5.446 1.00 0.00 H new ATOM 0 HE2 MET A 535 71.773 -9.045 -3.981 1.00 0.00 H new ATOM 0 HE3 MET A 535 72.674 -7.536 -4.261 1.00 0.00 H new ATOM 254 N LYS A 536 71.104 -13.180 -0.953 1.00 0.00 N ATOM 255 CA LYS A 536 70.921 -14.622 -0.807 1.00 0.00 C ATOM 256 C LYS A 536 69.917 -15.152 -1.833 1.00 0.00 C ATOM 257 O LYS A 536 69.937 -16.336 -2.173 1.00 0.00 O ATOM 258 CB LYS A 536 70.443 -14.955 0.608 1.00 0.00 C ATOM 259 CG LYS A 536 71.523 -14.561 1.618 1.00 0.00 C ATOM 260 CD LYS A 536 71.092 -14.991 3.021 1.00 0.00 C ATOM 261 CE LYS A 536 72.109 -14.484 4.045 1.00 0.00 C ATOM 262 NZ LYS A 536 73.345 -15.313 3.971 1.00 0.00 N ATOM 0 H LYS A 536 70.696 -12.620 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 536 71.882 -15.104 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 536 69.516 -14.424 0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 536 70.226 -16.020 0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 536 72.470 -15.033 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 536 71.686 -13.484 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 536 70.103 -14.593 3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 536 71.018 -16.077 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 536 72.347 -13.439 3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 536 71.686 -14.532 5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 536 74.003 -15.024 4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 536 73.098 -16.316 4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 536 73.798 -15.179 3.045 1.00 0.00 H new ATOM 276 N ASP A 537 69.042 -14.272 -2.321 1.00 0.00 N ATOM 277 CA ASP A 537 68.094 -14.642 -3.367 1.00 0.00 C ATOM 278 C ASP A 537 68.770 -14.570 -4.746 1.00 0.00 C ATOM 279 O ASP A 537 69.079 -13.477 -5.224 1.00 0.00 O ATOM 280 CB ASP A 537 66.891 -13.693 -3.335 1.00 0.00 C ATOM 281 CG ASP A 537 65.770 -14.197 -4.250 1.00 0.00 C ATOM 282 OD1 ASP A 537 65.863 -15.320 -4.724 1.00 0.00 O ATOM 283 OD2 ASP A 537 64.832 -13.447 -4.464 1.00 0.00 O ATOM 0 H ASP A 537 68.972 -13.303 -2.009 1.00 0.00 H new ATOM 0 HA ASP A 537 67.756 -15.663 -3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 537 66.520 -13.605 -2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 537 67.201 -12.696 -3.649 1.00 0.00 H new ATOM 288 N PRO A 538 69.001 -15.698 -5.395 1.00 0.00 N ATOM 289 CA PRO A 538 69.788 -15.729 -6.673 1.00 0.00 C ATOM 290 C PRO A 538 69.171 -14.852 -7.764 1.00 0.00 C ATOM 291 O PRO A 538 69.884 -14.337 -8.628 1.00 0.00 O ATOM 292 CB PRO A 538 69.781 -17.206 -7.095 1.00 0.00 C ATOM 293 CG PRO A 538 69.401 -17.975 -5.877 1.00 0.00 C ATOM 294 CD PRO A 538 68.531 -17.049 -5.036 1.00 0.00 C ATOM 0 HA PRO A 538 70.793 -15.333 -6.526 1.00 0.00 H new ATOM 0 HB2 PRO A 538 69.070 -17.378 -7.903 1.00 0.00 H new ATOM 0 HB3 PRO A 538 70.761 -17.513 -7.461 1.00 0.00 H new ATOM 0 HG2 PRO A 538 68.858 -18.881 -6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 538 70.286 -18.286 -5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 538 67.473 -17.178 -5.265 1.00 0.00 H new ATOM 0 HD3 PRO A 538 68.653 -17.245 -3.971 1.00 0.00 H new ATOM 302 N GLU A 539 67.854 -14.647 -7.697 1.00 0.00 N ATOM 303 CA GLU A 539 67.170 -13.829 -8.697 1.00 0.00 C ATOM 304 C GLU A 539 67.620 -12.374 -8.588 1.00 0.00 C ATOM 305 O GLU A 539 67.758 -11.683 -9.595 1.00 0.00 O ATOM 306 CB GLU A 539 65.653 -13.914 -8.512 1.00 0.00 C ATOM 307 CG GLU A 539 65.199 -15.369 -8.652 1.00 0.00 C ATOM 308 CD GLU A 539 63.680 -15.452 -8.561 1.00 0.00 C ATOM 309 OE1 GLU A 539 63.180 -15.608 -7.459 1.00 0.00 O ATOM 310 OE2 GLU A 539 63.038 -15.359 -9.594 1.00 0.00 O ATOM 0 H GLU A 539 67.248 -15.030 -6.971 1.00 0.00 H new ATOM 0 HA GLU A 539 67.428 -14.210 -9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 539 65.374 -13.528 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 539 65.151 -13.293 -9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 539 65.537 -15.774 -9.606 1.00 0.00 H new ATOM 0 HG3 GLU A 539 65.652 -15.977 -7.869 1.00 0.00 H new ATOM 317 N VAL A 540 67.928 -11.940 -7.366 1.00 0.00 N ATOM 318 CA VAL A 540 68.400 -10.576 -7.140 1.00 0.00 C ATOM 319 C VAL A 540 69.757 -10.373 -7.812 1.00 0.00 C ATOM 320 O VAL A 540 69.955 -9.409 -8.551 1.00 0.00 O ATOM 321 CB VAL A 540 68.523 -10.313 -5.632 1.00 0.00 C ATOM 322 CG1 VAL A 540 68.987 -8.876 -5.382 1.00 0.00 C ATOM 323 CG2 VAL A 540 67.163 -10.534 -4.964 1.00 0.00 C ATOM 0 H VAL A 540 67.859 -12.510 -6.523 1.00 0.00 H new ATOM 0 HA VAL A 540 67.683 -9.877 -7.570 1.00 0.00 H new ATOM 0 HB VAL A 540 69.256 -11.000 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 540 69.070 -8.702 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 540 69.958 -8.720 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 540 68.263 -8.181 -5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 540 67.249 -10.348 -3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 540 66.431 -9.850 -5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 540 66.840 -11.562 -5.129 1.00 0.00 H new ATOM 333 N ALA A 541 70.673 -11.309 -7.577 1.00 0.00 N ATOM 334 CA ALA A 541 72.040 -11.184 -8.087 1.00 0.00 C ATOM 335 C ALA A 541 72.037 -11.063 -9.611 1.00 0.00 C ATOM 336 O ALA A 541 72.661 -10.164 -10.182 1.00 0.00 O ATOM 337 CB ALA A 541 72.855 -12.415 -7.668 1.00 0.00 C ATOM 0 H ALA A 541 70.497 -12.158 -7.040 1.00 0.00 H new ATOM 0 HA ALA A 541 72.490 -10.284 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 541 73.873 -12.324 -8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 541 72.877 -12.484 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 541 72.394 -13.313 -8.079 1.00 0.00 H new ATOM 343 N ALA A 542 71.270 -11.939 -10.254 1.00 0.00 N ATOM 344 CA ALA A 542 71.241 -11.998 -11.716 1.00 0.00 C ATOM 345 C ALA A 542 70.708 -10.697 -12.314 1.00 0.00 C ATOM 346 O ALA A 542 71.276 -10.170 -13.272 1.00 0.00 O ATOM 347 CB ALA A 542 70.363 -13.165 -12.173 1.00 0.00 C ATOM 0 H ALA A 542 70.663 -12.615 -9.791 1.00 0.00 H new ATOM 0 HA ALA A 542 72.263 -12.144 -12.066 1.00 0.00 H new ATOM 0 HB1 ALA A 542 70.346 -13.203 -13.262 1.00 0.00 H new ATOM 0 HB2 ALA A 542 70.768 -14.099 -11.784 1.00 0.00 H new ATOM 0 HB3 ALA A 542 69.349 -13.025 -11.799 1.00 0.00 H new ATOM 353 N ILE A 543 69.619 -10.185 -11.744 1.00 0.00 N ATOM 354 CA ILE A 543 68.968 -8.991 -12.281 1.00 0.00 C ATOM 355 C ILE A 543 69.837 -7.747 -12.068 1.00 0.00 C ATOM 356 O ILE A 543 69.804 -6.820 -12.880 1.00 0.00 O ATOM 357 CB ILE A 543 67.594 -8.811 -11.613 1.00 0.00 C ATOM 358 CG1 ILE A 543 66.743 -10.058 -11.884 1.00 0.00 C ATOM 359 CG2 ILE A 543 66.884 -7.585 -12.201 1.00 0.00 C ATOM 360 CD1 ILE A 543 65.475 -10.022 -11.027 1.00 0.00 C ATOM 0 H ILE A 543 69.171 -10.575 -10.915 1.00 0.00 H new ATOM 0 HA ILE A 543 68.832 -9.119 -13.355 1.00 0.00 H new ATOM 0 HB ILE A 543 67.728 -8.670 -10.541 1.00 0.00 H new ATOM 0 HG12 ILE A 543 66.477 -10.105 -12.940 1.00 0.00 H new ATOM 0 HG13 ILE A 543 67.318 -10.957 -11.660 1.00 0.00 H new ATOM 0 HG21 ILE A 543 65.912 -7.464 -11.723 1.00 0.00 H new ATOM 0 HG22 ILE A 543 67.488 -6.695 -12.025 1.00 0.00 H new ATOM 0 HG23 ILE A 543 66.747 -7.724 -13.273 1.00 0.00 H new ATOM 0 HD11 ILE A 543 64.876 -10.911 -11.225 1.00 0.00 H new ATOM 0 HD12 ILE A 543 65.749 -9.997 -9.972 1.00 0.00 H new ATOM 0 HD13 ILE A 543 64.895 -9.132 -11.272 1.00 0.00 H new ATOM 372 N MET A 544 70.591 -7.714 -10.966 1.00 0.00 N ATOM 373 CA MET A 544 71.475 -6.578 -10.685 1.00 0.00 C ATOM 374 C MET A 544 72.520 -6.421 -11.786 1.00 0.00 C ATOM 375 O MET A 544 72.908 -5.304 -12.132 1.00 0.00 O ATOM 376 CB MET A 544 72.171 -6.761 -9.336 1.00 0.00 C ATOM 377 CG MET A 544 71.190 -6.429 -8.211 1.00 0.00 C ATOM 378 SD MET A 544 72.081 -6.356 -6.639 1.00 0.00 S ATOM 379 CE MET A 544 70.672 -5.896 -5.602 1.00 0.00 C ATOM 0 H MET A 544 70.608 -8.451 -10.261 1.00 0.00 H new ATOM 0 HA MET A 544 70.863 -5.677 -10.650 1.00 0.00 H new ATOM 0 HB2 MET A 544 72.526 -7.786 -9.233 1.00 0.00 H new ATOM 0 HB3 MET A 544 73.045 -6.113 -9.274 1.00 0.00 H new ATOM 0 HG2 MET A 544 70.701 -5.475 -8.409 1.00 0.00 H new ATOM 0 HG3 MET A 544 70.406 -7.185 -8.162 1.00 0.00 H new ATOM 0 HE1 MET A 544 70.879 -4.947 -5.107 1.00 0.00 H new ATOM 0 HE2 MET A 544 69.781 -5.795 -6.222 1.00 0.00 H new ATOM 0 HE3 MET A 544 70.506 -6.668 -4.851 1.00 0.00 H new ATOM 389 N GLN A 545 72.974 -7.549 -12.327 1.00 0.00 N ATOM 390 CA GLN A 545 73.764 -7.529 -13.553 1.00 0.00 C ATOM 391 C GLN A 545 72.836 -7.376 -14.756 1.00 0.00 C ATOM 392 O GLN A 545 71.629 -7.192 -14.591 1.00 0.00 O ATOM 393 CB GLN A 545 74.580 -8.817 -13.680 1.00 0.00 C ATOM 394 CG GLN A 545 75.552 -8.924 -12.504 1.00 0.00 C ATOM 395 CD GLN A 545 76.432 -10.159 -12.664 1.00 0.00 C ATOM 396 OE1 GLN A 545 76.820 -10.507 -13.779 1.00 0.00 O ATOM 397 NE2 GLN A 545 76.773 -10.847 -11.608 1.00 0.00 N ATOM 0 H GLN A 545 72.810 -8.478 -11.940 1.00 0.00 H new ATOM 0 HA GLN A 545 74.453 -6.685 -13.519 1.00 0.00 H new ATOM 0 HB2 GLN A 545 73.915 -9.681 -13.696 1.00 0.00 H new ATOM 0 HB3 GLN A 545 75.130 -8.820 -14.621 1.00 0.00 H new ATOM 0 HG2 GLN A 545 76.173 -8.030 -12.452 1.00 0.00 H new ATOM 0 HG3 GLN A 545 74.997 -8.982 -11.567 1.00 0.00 H new ATOM 0 HE21 GLN A 545 76.451 -10.557 -10.685 1.00 0.00 H new ATOM 0 HE22 GLN A 545 77.362 -11.674 -11.706 1.00 0.00 H new ATOM 406 N ASP A 546 73.401 -7.438 -15.965 1.00 0.00 N ATOM 407 CA ASP A 546 72.610 -7.299 -17.195 1.00 0.00 C ATOM 408 C ASP A 546 72.137 -5.842 -17.337 1.00 0.00 C ATOM 409 O ASP A 546 71.526 -5.294 -16.419 1.00 0.00 O ATOM 410 CB ASP A 546 71.392 -8.247 -17.157 1.00 0.00 C ATOM 411 CG ASP A 546 70.988 -8.710 -18.561 1.00 0.00 C ATOM 412 OD1 ASP A 546 71.733 -8.467 -19.496 1.00 0.00 O ATOM 413 OD2 ASP A 546 69.930 -9.306 -18.678 1.00 0.00 O ATOM 0 H ASP A 546 74.399 -7.583 -16.120 1.00 0.00 H new ATOM 0 HA ASP A 546 73.231 -7.564 -18.051 1.00 0.00 H new ATOM 0 HB2 ASP A 546 71.626 -9.115 -16.541 1.00 0.00 H new ATOM 0 HB3 ASP A 546 70.551 -7.739 -16.685 1.00 0.00 H new ATOM 418 N PRO A 547 72.400 -5.215 -18.463 1.00 0.00 N ATOM 419 CA PRO A 547 72.422 -3.722 -18.561 1.00 0.00 C ATOM 420 C PRO A 547 71.031 -3.081 -18.489 1.00 0.00 C ATOM 421 O PRO A 547 70.914 -1.865 -18.319 1.00 0.00 O ATOM 422 CB PRO A 547 73.076 -3.468 -19.916 1.00 0.00 C ATOM 423 CG PRO A 547 72.676 -4.630 -20.756 1.00 0.00 C ATOM 424 CD PRO A 547 72.499 -5.819 -19.808 1.00 0.00 C ATOM 0 HA PRO A 547 72.956 -3.275 -17.722 1.00 0.00 H new ATOM 0 HB2 PRO A 547 72.733 -2.529 -20.351 1.00 0.00 H new ATOM 0 HB3 PRO A 547 74.160 -3.400 -19.825 1.00 0.00 H new ATOM 0 HG2 PRO A 547 71.750 -4.420 -21.291 1.00 0.00 H new ATOM 0 HG3 PRO A 547 73.436 -4.844 -21.507 1.00 0.00 H new ATOM 0 HD2 PRO A 547 71.603 -6.390 -20.052 1.00 0.00 H new ATOM 0 HD3 PRO A 547 73.343 -6.506 -19.872 1.00 0.00 H new ATOM 432 N VAL A 548 69.978 -3.894 -18.629 1.00 0.00 N ATOM 433 CA VAL A 548 68.629 -3.366 -18.871 1.00 0.00 C ATOM 434 C VAL A 548 68.227 -2.356 -17.793 1.00 0.00 C ATOM 435 O VAL A 548 67.800 -1.246 -18.107 1.00 0.00 O ATOM 436 CB VAL A 548 67.617 -4.527 -18.910 1.00 0.00 C ATOM 437 CG1 VAL A 548 66.182 -3.994 -19.046 1.00 0.00 C ATOM 438 CG2 VAL A 548 67.933 -5.430 -20.105 1.00 0.00 C ATOM 0 H VAL A 548 70.031 -4.911 -18.580 1.00 0.00 H new ATOM 0 HA VAL A 548 68.630 -2.850 -19.831 1.00 0.00 H new ATOM 0 HB VAL A 548 67.695 -5.090 -17.980 1.00 0.00 H new ATOM 0 HG11 VAL A 548 65.484 -4.831 -19.072 1.00 0.00 H new ATOM 0 HG12 VAL A 548 65.950 -3.353 -18.195 1.00 0.00 H new ATOM 0 HG13 VAL A 548 66.093 -3.419 -19.968 1.00 0.00 H new ATOM 0 HG21 VAL A 548 67.220 -6.254 -20.137 1.00 0.00 H new ATOM 0 HG22 VAL A 548 67.862 -4.852 -21.026 1.00 0.00 H new ATOM 0 HG23 VAL A 548 68.943 -5.828 -20.003 1.00 0.00 H new ATOM 448 N MET A 549 68.412 -2.724 -16.530 1.00 0.00 N ATOM 449 CA MET A 549 67.896 -1.907 -15.431 1.00 0.00 C ATOM 450 C MET A 549 68.564 -0.536 -15.391 1.00 0.00 C ATOM 451 O MET A 549 67.904 0.467 -15.113 1.00 0.00 O ATOM 452 CB MET A 549 68.090 -2.619 -14.093 1.00 0.00 C ATOM 453 CG MET A 549 66.886 -3.519 -13.822 1.00 0.00 C ATOM 454 SD MET A 549 66.973 -4.123 -12.125 1.00 0.00 S ATOM 455 CE MET A 549 65.214 -4.493 -11.924 1.00 0.00 C ATOM 0 H MET A 549 68.907 -3.568 -16.242 1.00 0.00 H new ATOM 0 HA MET A 549 66.830 -1.761 -15.606 1.00 0.00 H new ATOM 0 HB2 MET A 549 69.005 -3.212 -14.112 1.00 0.00 H new ATOM 0 HB3 MET A 549 68.200 -1.888 -13.292 1.00 0.00 H new ATOM 0 HG2 MET A 549 65.960 -2.966 -13.977 1.00 0.00 H new ATOM 0 HG3 MET A 549 66.878 -4.357 -14.520 1.00 0.00 H new ATOM 0 HE1 MET A 549 65.098 -5.397 -11.326 1.00 0.00 H new ATOM 0 HE2 MET A 549 64.722 -3.660 -11.422 1.00 0.00 H new ATOM 0 HE3 MET A 549 64.760 -4.645 -12.903 1.00 0.00 H new ATOM 465 N GLN A 550 69.863 -0.483 -15.688 1.00 0.00 N ATOM 466 CA GLN A 550 70.566 0.800 -15.762 1.00 0.00 C ATOM 467 C GLN A 550 69.919 1.701 -16.813 1.00 0.00 C ATOM 468 O GLN A 550 69.711 2.894 -16.583 1.00 0.00 O ATOM 469 CB GLN A 550 72.037 0.574 -16.123 1.00 0.00 C ATOM 470 CG GLN A 550 72.728 -0.193 -14.993 1.00 0.00 C ATOM 471 CD GLN A 550 74.188 -0.450 -15.352 1.00 0.00 C ATOM 472 OE1 GLN A 550 74.512 -0.682 -16.517 1.00 0.00 O ATOM 473 NE2 GLN A 550 75.095 -0.422 -14.414 1.00 0.00 N ATOM 0 H GLN A 550 70.443 -1.300 -15.879 1.00 0.00 H new ATOM 0 HA GLN A 550 70.502 1.284 -14.788 1.00 0.00 H new ATOM 0 HB2 GLN A 550 72.112 0.014 -17.055 1.00 0.00 H new ATOM 0 HB3 GLN A 550 72.534 1.531 -16.285 1.00 0.00 H new ATOM 0 HG2 GLN A 550 72.668 0.377 -14.066 1.00 0.00 H new ATOM 0 HG3 GLN A 550 72.216 -1.139 -14.819 1.00 0.00 H new ATOM 0 HE21 GLN A 550 74.825 -0.230 -13.449 1.00 0.00 H new ATOM 0 HE22 GLN A 550 76.074 -0.592 -14.646 1.00 0.00 H new ATOM 482 N SER A 551 69.568 1.105 -17.953 1.00 0.00 N ATOM 483 CA SER A 551 68.892 1.837 -19.025 1.00 0.00 C ATOM 484 C SER A 551 67.552 2.411 -18.559 1.00 0.00 C ATOM 485 O SER A 551 67.237 3.562 -18.856 1.00 0.00 O ATOM 486 CB SER A 551 68.667 0.922 -20.229 1.00 0.00 C ATOM 487 OG SER A 551 68.169 1.690 -21.316 1.00 0.00 O ATOM 0 H SER A 551 69.740 0.121 -18.158 1.00 0.00 H new ATOM 0 HA SER A 551 69.536 2.668 -19.312 1.00 0.00 H new ATOM 0 HB2 SER A 551 69.601 0.436 -20.510 1.00 0.00 H new ATOM 0 HB3 SER A 551 67.961 0.132 -19.973 1.00 0.00 H new ATOM 0 HG SER A 551 67.239 1.943 -21.139 1.00 0.00 H new ATOM 493 N ILE A 552 66.777 1.626 -17.804 1.00 0.00 N ATOM 494 CA ILE A 552 65.452 2.072 -17.353 1.00 0.00 C ATOM 495 C ILE A 552 65.577 3.309 -16.463 1.00 0.00 C ATOM 496 O ILE A 552 64.884 4.304 -16.670 1.00 0.00 O ATOM 497 CB ILE A 552 64.736 0.948 -16.577 1.00 0.00 C ATOM 498 CG1 ILE A 552 64.714 -0.334 -17.422 1.00 0.00 C ATOM 499 CG2 ILE A 552 63.288 1.369 -16.257 1.00 0.00 C ATOM 500 CD1 ILE A 552 64.233 -1.509 -16.566 1.00 0.00 C ATOM 0 H ILE A 552 67.038 0.690 -17.495 1.00 0.00 H new ATOM 0 HA ILE A 552 64.863 2.325 -18.235 1.00 0.00 H new ATOM 0 HB ILE A 552 65.274 0.764 -15.647 1.00 0.00 H new ATOM 0 HG12 ILE A 552 64.055 -0.204 -18.281 1.00 0.00 H new ATOM 0 HG13 ILE A 552 65.710 -0.540 -17.813 1.00 0.00 H new ATOM 0 HG21 ILE A 552 62.789 0.570 -15.709 1.00 0.00 H new ATOM 0 HG22 ILE A 552 63.298 2.274 -15.650 1.00 0.00 H new ATOM 0 HG23 ILE A 552 62.751 1.561 -17.186 1.00 0.00 H new ATOM 0 HD11 ILE A 552 64.219 -2.417 -17.169 1.00 0.00 H new ATOM 0 HD12 ILE A 552 64.909 -1.645 -15.722 1.00 0.00 H new ATOM 0 HD13 ILE A 552 63.228 -1.303 -16.197 1.00 0.00 H new ATOM 512 N LEU A 553 66.483 3.245 -15.488 1.00 0.00 N ATOM 513 CA LEU A 553 66.673 4.353 -14.545 1.00 0.00 C ATOM 514 C LEU A 553 67.029 5.649 -15.276 1.00 0.00 C ATOM 515 O LEU A 553 66.366 6.675 -15.100 1.00 0.00 O ATOM 516 CB LEU A 553 67.780 4.008 -13.546 1.00 0.00 C ATOM 517 CG LEU A 553 67.369 2.786 -12.720 1.00 0.00 C ATOM 518 CD1 LEU A 553 68.566 2.295 -11.905 1.00 0.00 C ATOM 519 CD2 LEU A 553 66.232 3.169 -11.768 1.00 0.00 C ATOM 0 H LEU A 553 67.095 2.444 -15.329 1.00 0.00 H new ATOM 0 HA LEU A 553 65.734 4.505 -14.013 1.00 0.00 H new ATOM 0 HB2 LEU A 553 68.710 3.804 -14.076 1.00 0.00 H new ATOM 0 HB3 LEU A 553 67.967 4.857 -12.888 1.00 0.00 H new ATOM 0 HG LEU A 553 67.033 1.994 -13.390 1.00 0.00 H new ATOM 0 HD11 LEU A 553 68.274 1.425 -11.317 1.00 0.00 H new ATOM 0 HD12 LEU A 553 69.377 2.021 -12.579 1.00 0.00 H new ATOM 0 HD13 LEU A 553 68.901 3.088 -11.237 1.00 0.00 H new ATOM 0 HD21 LEU A 553 65.940 2.298 -11.181 1.00 0.00 H new ATOM 0 HD22 LEU A 553 66.569 3.961 -11.100 1.00 0.00 H new ATOM 0 HD23 LEU A 553 65.377 3.520 -12.345 1.00 0.00 H new ATOM 531 N GLN A 554 68.041 5.585 -16.142 1.00 0.00 N ATOM 532 CA GLN A 554 68.478 6.769 -16.886 1.00 0.00 C ATOM 533 C GLN A 554 67.328 7.343 -17.715 1.00 0.00 C ATOM 534 O GLN A 554 66.970 8.512 -17.569 1.00 0.00 O ATOM 535 CB GLN A 554 69.643 6.407 -17.811 1.00 0.00 C ATOM 536 CG GLN A 554 70.847 5.977 -16.971 1.00 0.00 C ATOM 537 CD GLN A 554 72.003 5.571 -17.881 1.00 0.00 C ATOM 538 OE1 GLN A 554 71.783 5.010 -18.955 1.00 0.00 O ATOM 539 NE2 GLN A 554 73.229 5.823 -17.513 1.00 0.00 N ATOM 0 H GLN A 554 68.569 4.736 -16.345 1.00 0.00 H new ATOM 0 HA GLN A 554 68.803 7.522 -16.168 1.00 0.00 H new ATOM 0 HB2 GLN A 554 69.350 5.602 -18.484 1.00 0.00 H new ATOM 0 HB3 GLN A 554 69.907 7.262 -18.433 1.00 0.00 H new ATOM 0 HG2 GLN A 554 71.156 6.794 -16.320 1.00 0.00 H new ATOM 0 HG3 GLN A 554 70.571 5.143 -16.326 1.00 0.00 H new ATOM 0 HE21 GLN A 554 73.409 6.288 -16.623 1.00 0.00 H new ATOM 0 HE22 GLN A 554 74.007 5.555 -18.115 1.00 0.00 H new ATOM 548 N GLN A 555 66.663 6.476 -18.477 1.00 0.00 N ATOM 549 CA GLN A 555 65.604 6.912 -19.387 1.00 0.00 C ATOM 550 C GLN A 555 64.470 7.601 -18.630 1.00 0.00 C ATOM 551 O GLN A 555 63.901 8.580 -19.113 1.00 0.00 O ATOM 552 CB GLN A 555 65.048 5.708 -20.151 1.00 0.00 C ATOM 553 CG GLN A 555 66.084 5.226 -21.169 1.00 0.00 C ATOM 554 CD GLN A 555 65.553 4.007 -21.916 1.00 0.00 C ATOM 555 OE1 GLN A 555 65.589 2.894 -21.393 1.00 0.00 O ATOM 556 NE2 GLN A 555 65.060 4.152 -23.116 1.00 0.00 N ATOM 0 H GLN A 555 66.838 5.471 -18.483 1.00 0.00 H new ATOM 0 HA GLN A 555 66.035 7.628 -20.086 1.00 0.00 H new ATOM 0 HB2 GLN A 555 64.804 4.904 -19.456 1.00 0.00 H new ATOM 0 HB3 GLN A 555 64.123 5.982 -20.659 1.00 0.00 H new ATOM 0 HG2 GLN A 555 66.311 6.025 -21.875 1.00 0.00 H new ATOM 0 HG3 GLN A 555 67.015 4.975 -20.661 1.00 0.00 H new ATOM 0 HE21 GLN A 555 65.031 5.076 -23.547 1.00 0.00 H new ATOM 0 HE22 GLN A 555 64.703 3.341 -23.622 1.00 0.00 H new ATOM 565 N ALA A 556 64.137 7.077 -17.449 1.00 0.00 N ATOM 566 CA ALA A 556 63.057 7.642 -16.639 1.00 0.00 C ATOM 567 C ALA A 556 63.383 9.062 -16.186 1.00 0.00 C ATOM 568 O ALA A 556 62.489 9.903 -16.083 1.00 0.00 O ATOM 569 CB ALA A 556 62.805 6.762 -15.412 1.00 0.00 C ATOM 0 H ALA A 556 64.597 6.267 -17.034 1.00 0.00 H new ATOM 0 HA ALA A 556 62.161 7.676 -17.259 1.00 0.00 H new ATOM 0 HB1 ALA A 556 62.000 7.191 -14.816 1.00 0.00 H new ATOM 0 HB2 ALA A 556 62.523 5.760 -15.735 1.00 0.00 H new ATOM 0 HB3 ALA A 556 63.712 6.708 -14.811 1.00 0.00 H new ATOM 575 N GLN A 557 64.663 9.328 -15.915 1.00 0.00 N ATOM 576 CA GLN A 557 65.080 10.660 -15.477 1.00 0.00 C ATOM 577 C GLN A 557 64.867 11.673 -16.598 1.00 0.00 C ATOM 578 O GLN A 557 64.365 12.775 -16.370 1.00 0.00 O ATOM 579 CB GLN A 557 66.560 10.640 -15.079 1.00 0.00 C ATOM 580 CG GLN A 557 66.908 11.930 -14.332 1.00 0.00 C ATOM 581 CD GLN A 557 68.403 11.971 -14.034 1.00 0.00 C ATOM 582 OE1 GLN A 557 68.875 11.287 -13.126 1.00 0.00 O ATOM 583 NE2 GLN A 557 69.180 12.738 -14.748 1.00 0.00 N ATOM 0 H GLN A 557 65.419 8.648 -15.990 1.00 0.00 H new ATOM 0 HA GLN A 557 64.478 10.949 -14.615 1.00 0.00 H new ATOM 0 HB2 GLN A 557 66.766 9.775 -14.448 1.00 0.00 H new ATOM 0 HB3 GLN A 557 67.185 10.542 -15.967 1.00 0.00 H new ATOM 0 HG2 GLN A 557 66.624 12.795 -14.931 1.00 0.00 H new ATOM 0 HG3 GLN A 557 66.342 11.986 -13.402 1.00 0.00 H new ATOM 0 HE21 GLN A 557 68.787 13.304 -15.500 1.00 0.00 H new ATOM 0 HE22 GLN A 557 70.181 12.772 -14.554 1.00 0.00 H new ATOM 592 N GLN A 558 65.258 11.283 -17.810 1.00 0.00 N ATOM 593 CA GLN A 558 65.029 12.112 -18.991 1.00 0.00 C ATOM 594 C GLN A 558 63.555 12.090 -19.404 1.00 0.00 C ATOM 595 O GLN A 558 63.056 13.052 -19.989 1.00 0.00 O ATOM 596 CB GLN A 558 65.891 11.614 -20.153 1.00 0.00 C ATOM 597 CG GLN A 558 67.371 11.786 -19.803 1.00 0.00 C ATOM 598 CD GLN A 558 68.243 11.260 -20.939 1.00 0.00 C ATOM 599 OE1 GLN A 558 67.885 10.286 -21.600 1.00 0.00 O ATOM 600 NE2 GLN A 558 69.376 11.852 -21.205 1.00 0.00 N ATOM 0 H GLN A 558 65.733 10.401 -17.999 1.00 0.00 H new ATOM 0 HA GLN A 558 65.303 13.137 -18.742 1.00 0.00 H new ATOM 0 HB2 GLN A 558 65.674 10.565 -20.357 1.00 0.00 H new ATOM 0 HB3 GLN A 558 65.654 12.170 -21.060 1.00 0.00 H new ATOM 0 HG2 GLN A 558 67.590 12.838 -19.623 1.00 0.00 H new ATOM 0 HG3 GLN A 558 67.599 11.251 -18.881 1.00 0.00 H new ATOM 0 HE21 GLN A 558 69.671 12.659 -20.656 1.00 0.00 H new ATOM 0 HE22 GLN A 558 69.966 11.507 -21.962 1.00 0.00 H new ATOM 609 N ASN A 559 62.863 10.990 -19.095 1.00 0.00 N ATOM 610 CA ASN A 559 61.475 10.817 -19.515 1.00 0.00 C ATOM 611 C ASN A 559 60.805 9.709 -18.688 1.00 0.00 C ATOM 612 O ASN A 559 60.931 8.528 -19.016 1.00 0.00 O ATOM 613 CB ASN A 559 61.429 10.448 -20.999 1.00 0.00 C ATOM 614 CG ASN A 559 60.085 10.849 -21.597 1.00 0.00 C ATOM 615 OD1 ASN A 559 59.049 10.302 -21.222 1.00 0.00 O ATOM 616 ND2 ASN A 559 60.041 11.778 -22.513 1.00 0.00 N ATOM 0 H ASN A 559 63.242 10.210 -18.558 1.00 0.00 H new ATOM 0 HA ASN A 559 60.938 11.752 -19.355 1.00 0.00 H new ATOM 0 HB2 ASN A 559 62.237 10.950 -21.532 1.00 0.00 H new ATOM 0 HB3 ASN A 559 61.584 9.376 -21.120 1.00 0.00 H new ATOM 0 HD21 ASN A 559 59.146 12.052 -22.919 1.00 0.00 H new ATOM 0 HD22 ASN A 559 60.901 12.230 -22.822 1.00 0.00 H new ATOM 623 N PRO A 560 60.098 10.062 -17.633 1.00 0.00 N ATOM 624 CA PRO A 560 59.688 9.065 -16.590 1.00 0.00 C ATOM 625 C PRO A 560 58.735 7.989 -17.123 1.00 0.00 C ATOM 626 O PRO A 560 58.571 6.941 -16.497 1.00 0.00 O ATOM 627 CB PRO A 560 59.003 9.914 -15.513 1.00 0.00 C ATOM 628 CG PRO A 560 58.539 11.143 -16.214 1.00 0.00 C ATOM 629 CD PRO A 560 59.536 11.397 -17.342 1.00 0.00 C ATOM 0 HA PRO A 560 60.548 8.506 -16.222 1.00 0.00 H new ATOM 0 HB2 PRO A 560 58.167 9.379 -15.064 1.00 0.00 H new ATOM 0 HB3 PRO A 560 59.695 10.159 -14.707 1.00 0.00 H new ATOM 0 HG2 PRO A 560 57.532 11.008 -16.609 1.00 0.00 H new ATOM 0 HG3 PRO A 560 58.503 11.990 -15.529 1.00 0.00 H new ATOM 0 HD2 PRO A 560 59.047 11.823 -18.218 1.00 0.00 H new ATOM 0 HD3 PRO A 560 60.312 12.099 -17.037 1.00 0.00 H new ATOM 637 N ALA A 561 58.113 8.247 -18.276 1.00 0.00 N ATOM 638 CA ALA A 561 57.120 7.322 -18.826 1.00 0.00 C ATOM 639 C ALA A 561 57.762 5.990 -19.217 1.00 0.00 C ATOM 640 O ALA A 561 57.134 4.933 -19.105 1.00 0.00 O ATOM 641 CB ALA A 561 56.442 7.944 -20.048 1.00 0.00 C ATOM 0 H ALA A 561 58.277 9.080 -18.842 1.00 0.00 H new ATOM 0 HA ALA A 561 56.375 7.131 -18.053 1.00 0.00 H new ATOM 0 HB1 ALA A 561 55.705 7.248 -20.449 1.00 0.00 H new ATOM 0 HB2 ALA A 561 55.945 8.870 -19.757 1.00 0.00 H new ATOM 0 HB3 ALA A 561 57.191 8.158 -20.810 1.00 0.00 H new ATOM 647 N ALA A 562 59.015 6.041 -19.673 1.00 0.00 N ATOM 648 CA ALA A 562 59.724 4.829 -20.095 1.00 0.00 C ATOM 649 C ALA A 562 59.780 3.786 -18.977 1.00 0.00 C ATOM 650 O ALA A 562 59.717 2.583 -19.238 1.00 0.00 O ATOM 651 CB ALA A 562 61.149 5.183 -20.528 1.00 0.00 C ATOM 0 H ALA A 562 59.557 6.901 -19.760 1.00 0.00 H new ATOM 0 HA ALA A 562 59.173 4.401 -20.932 1.00 0.00 H new ATOM 0 HB1 ALA A 562 61.670 4.278 -20.840 1.00 0.00 H new ATOM 0 HB2 ALA A 562 61.112 5.886 -21.360 1.00 0.00 H new ATOM 0 HB3 ALA A 562 61.681 5.638 -19.692 1.00 0.00 H new ATOM 657 N LEU A 563 59.852 4.245 -17.728 1.00 0.00 N ATOM 658 CA LEU A 563 60.005 3.324 -16.605 1.00 0.00 C ATOM 659 C LEU A 563 58.726 2.494 -16.438 1.00 0.00 C ATOM 660 O LEU A 563 58.776 1.296 -16.151 1.00 0.00 O ATOM 661 CB LEU A 563 60.392 4.130 -15.329 1.00 0.00 C ATOM 662 CG LEU A 563 59.182 4.610 -14.495 1.00 0.00 C ATOM 663 CD1 LEU A 563 58.489 3.426 -13.795 1.00 0.00 C ATOM 664 CD2 LEU A 563 59.672 5.613 -13.445 1.00 0.00 C ATOM 0 H LEU A 563 59.808 5.231 -17.472 1.00 0.00 H new ATOM 0 HA LEU A 563 60.812 2.615 -16.791 1.00 0.00 H new ATOM 0 HB2 LEU A 563 61.030 3.509 -14.700 1.00 0.00 H new ATOM 0 HB3 LEU A 563 60.983 4.997 -15.625 1.00 0.00 H new ATOM 0 HG LEU A 563 58.459 5.081 -15.160 1.00 0.00 H new ATOM 0 HD11 LEU A 563 57.641 3.792 -13.215 1.00 0.00 H new ATOM 0 HD12 LEU A 563 58.137 2.716 -14.544 1.00 0.00 H new ATOM 0 HD13 LEU A 563 59.197 2.931 -13.130 1.00 0.00 H new ATOM 0 HD21 LEU A 563 58.827 5.959 -12.850 1.00 0.00 H new ATOM 0 HD22 LEU A 563 60.401 5.131 -12.794 1.00 0.00 H new ATOM 0 HD23 LEU A 563 60.137 6.463 -13.943 1.00 0.00 H new ATOM 676 N GLN A 564 57.576 3.143 -16.649 1.00 0.00 N ATOM 677 CA GLN A 564 56.286 2.463 -16.533 1.00 0.00 C ATOM 678 C GLN A 564 56.172 1.333 -17.554 1.00 0.00 C ATOM 679 O GLN A 564 56.015 0.169 -17.182 1.00 0.00 O ATOM 680 CB GLN A 564 55.147 3.462 -16.753 1.00 0.00 C ATOM 681 CG GLN A 564 55.176 4.521 -15.648 1.00 0.00 C ATOM 682 CD GLN A 564 53.995 5.474 -15.807 1.00 0.00 C ATOM 683 OE1 GLN A 564 52.902 5.052 -16.183 1.00 0.00 O ATOM 684 NE2 GLN A 564 54.152 6.742 -15.542 1.00 0.00 N ATOM 0 H GLN A 564 57.514 4.130 -16.899 1.00 0.00 H new ATOM 0 HA GLN A 564 56.215 2.039 -15.531 1.00 0.00 H new ATOM 0 HB2 GLN A 564 55.249 3.937 -17.729 1.00 0.00 H new ATOM 0 HB3 GLN A 564 54.188 2.943 -16.749 1.00 0.00 H new ATOM 0 HG2 GLN A 564 55.137 4.040 -14.671 1.00 0.00 H new ATOM 0 HG3 GLN A 564 56.112 5.078 -15.691 1.00 0.00 H new ATOM 0 HE21 GLN A 564 55.059 7.089 -15.230 1.00 0.00 H new ATOM 0 HE22 GLN A 564 53.368 7.386 -15.646 1.00 0.00 H new ATOM 693 N GLU A 565 56.404 1.657 -18.827 1.00 0.00 N ATOM 694 CA GLU A 565 56.291 0.661 -19.900 1.00 0.00 C ATOM 695 C GLU A 565 57.266 -0.503 -19.684 1.00 0.00 C ATOM 696 O GLU A 565 57.011 -1.625 -20.124 1.00 0.00 O ATOM 697 CB GLU A 565 56.548 1.314 -21.262 1.00 0.00 C ATOM 698 CG GLU A 565 57.937 1.958 -21.290 1.00 0.00 C ATOM 699 CD GLU A 565 58.284 2.387 -22.711 1.00 0.00 C ATOM 700 OE1 GLU A 565 58.501 1.514 -23.536 1.00 0.00 O ATOM 701 OE2 GLU A 565 58.327 3.581 -22.954 1.00 0.00 O ATOM 0 H GLU A 565 56.669 2.591 -19.141 1.00 0.00 H new ATOM 0 HA GLU A 565 55.277 0.263 -19.880 1.00 0.00 H new ATOM 0 HB2 GLU A 565 56.470 0.567 -22.052 1.00 0.00 H new ATOM 0 HB3 GLU A 565 55.786 2.068 -21.461 1.00 0.00 H new ATOM 0 HG2 GLU A 565 57.960 2.821 -20.625 1.00 0.00 H new ATOM 0 HG3 GLU A 565 58.682 1.252 -20.922 1.00 0.00 H new ATOM 708 N HIS A 566 58.380 -0.222 -19.006 1.00 0.00 N ATOM 709 CA HIS A 566 59.349 -1.265 -18.669 1.00 0.00 C ATOM 710 C HIS A 566 58.728 -2.299 -17.731 1.00 0.00 C ATOM 711 O HIS A 566 58.808 -3.499 -17.985 1.00 0.00 O ATOM 712 CB HIS A 566 60.585 -0.648 -18.013 1.00 0.00 C ATOM 713 CG HIS A 566 61.614 -0.192 -19.011 1.00 0.00 C ATOM 714 ND1 HIS A 566 62.030 1.128 -19.093 1.00 0.00 N ATOM 715 CD2 HIS A 566 62.312 -0.866 -19.983 1.00 0.00 C ATOM 716 CE1 HIS A 566 62.939 1.206 -20.082 1.00 0.00 C ATOM 717 NE2 HIS A 566 63.148 0.019 -20.658 1.00 0.00 N ATOM 0 H HIS A 566 58.632 0.712 -18.682 1.00 0.00 H new ATOM 0 HA HIS A 566 59.645 -1.764 -19.592 1.00 0.00 H new ATOM 0 HB2 HIS A 566 60.279 0.201 -17.401 1.00 0.00 H new ATOM 0 HB3 HIS A 566 61.036 -1.379 -17.342 1.00 0.00 H new ATOM 0 HD2 HIS A 566 62.225 -1.922 -20.192 1.00 0.00 H new ATOM 0 HE1 HIS A 566 63.439 2.118 -20.375 1.00 0.00 H new ATOM 0 HE2 HIS A 566 63.784 -0.193 -21.427 1.00 0.00 H new ATOM 725 N MET A 567 58.046 -1.827 -16.687 1.00 0.00 N ATOM 726 CA MET A 567 57.438 -2.731 -15.710 1.00 0.00 C ATOM 727 C MET A 567 56.372 -3.603 -16.375 1.00 0.00 C ATOM 728 O MET A 567 56.227 -4.778 -16.039 1.00 0.00 O ATOM 729 CB MET A 567 56.805 -1.925 -14.572 1.00 0.00 C ATOM 730 CG MET A 567 56.462 -2.859 -13.409 1.00 0.00 C ATOM 731 SD MET A 567 55.529 -1.946 -12.156 1.00 0.00 S ATOM 732 CE MET A 567 56.828 -0.762 -11.724 1.00 0.00 C ATOM 0 H MET A 567 57.902 -0.835 -16.497 1.00 0.00 H new ATOM 0 HA MET A 567 58.219 -3.376 -15.306 1.00 0.00 H new ATOM 0 HB2 MET A 567 57.492 -1.148 -14.237 1.00 0.00 H new ATOM 0 HB3 MET A 567 55.905 -1.423 -14.926 1.00 0.00 H new ATOM 0 HG2 MET A 567 55.877 -3.705 -13.769 1.00 0.00 H new ATOM 0 HG3 MET A 567 57.375 -3.265 -12.974 1.00 0.00 H new ATOM 0 HE1 MET A 567 56.666 -0.399 -10.709 1.00 0.00 H new ATOM 0 HE2 MET A 567 57.800 -1.251 -11.784 1.00 0.00 H new ATOM 0 HE3 MET A 567 56.801 0.078 -12.418 1.00 0.00 H new ATOM 742 N LYS A 568 55.653 -3.031 -17.340 1.00 0.00 N ATOM 743 CA LYS A 568 54.644 -3.787 -18.083 1.00 0.00 C ATOM 744 C LYS A 568 55.308 -4.806 -19.010 1.00 0.00 C ATOM 745 O LYS A 568 54.779 -5.898 -19.224 1.00 0.00 O ATOM 746 CB LYS A 568 53.771 -2.836 -18.903 1.00 0.00 C ATOM 747 CG LYS A 568 52.989 -1.918 -17.961 1.00 0.00 C ATOM 748 CD LYS A 568 51.911 -1.170 -18.749 1.00 0.00 C ATOM 749 CE LYS A 568 52.566 -0.116 -19.645 1.00 0.00 C ATOM 750 NZ LYS A 568 53.006 1.040 -18.814 1.00 0.00 N ATOM 0 H LYS A 568 55.748 -2.056 -17.624 1.00 0.00 H new ATOM 0 HA LYS A 568 54.020 -4.320 -17.366 1.00 0.00 H new ATOM 0 HB2 LYS A 568 54.392 -2.242 -19.573 1.00 0.00 H new ATOM 0 HB3 LYS A 568 53.082 -3.405 -19.527 1.00 0.00 H new ATOM 0 HG2 LYS A 568 52.530 -2.504 -17.164 1.00 0.00 H new ATOM 0 HG3 LYS A 568 53.665 -1.207 -17.486 1.00 0.00 H new ATOM 0 HD2 LYS A 568 51.337 -1.871 -19.355 1.00 0.00 H new ATOM 0 HD3 LYS A 568 51.210 -0.694 -18.063 1.00 0.00 H new ATOM 0 HE2 LYS A 568 53.420 -0.548 -20.168 1.00 0.00 H new ATOM 0 HE3 LYS A 568 51.861 0.218 -20.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 53.466 1.748 -19.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 52.180 1.467 -18.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 53.679 0.712 -18.092 1.00 0.00 H new ATOM 764 N ASN A 569 56.469 -4.439 -19.559 1.00 0.00 N ATOM 765 CA ASN A 569 57.233 -5.343 -20.429 1.00 0.00 C ATOM 766 C ASN A 569 57.579 -6.646 -19.690 1.00 0.00 C ATOM 767 O ASN A 569 57.984 -6.604 -18.530 1.00 0.00 O ATOM 768 CB ASN A 569 58.524 -4.646 -20.881 1.00 0.00 C ATOM 769 CG ASN A 569 58.947 -5.145 -22.258 1.00 0.00 C ATOM 770 OD1 ASN A 569 58.191 -5.026 -23.222 1.00 0.00 O ATOM 771 ND2 ASN A 569 60.118 -5.701 -22.409 1.00 0.00 N ATOM 0 H ASN A 569 56.901 -3.526 -19.418 1.00 0.00 H new ATOM 0 HA ASN A 569 56.624 -5.591 -21.298 1.00 0.00 H new ATOM 0 HB2 ASN A 569 58.371 -3.567 -20.910 1.00 0.00 H new ATOM 0 HB3 ASN A 569 59.318 -4.836 -20.159 1.00 0.00 H new ATOM 0 HD21 ASN A 569 60.408 -6.038 -23.327 1.00 0.00 H new ATOM 0 HD22 ASN A 569 60.743 -5.799 -21.609 1.00 0.00 H new ATOM 778 N PRO A 570 57.421 -7.792 -20.326 1.00 0.00 N ATOM 779 CA PRO A 570 57.477 -9.106 -19.605 1.00 0.00 C ATOM 780 C PRO A 570 58.855 -9.393 -19.005 1.00 0.00 C ATOM 781 O PRO A 570 58.965 -9.747 -17.828 1.00 0.00 O ATOM 782 CB PRO A 570 57.117 -10.141 -20.676 1.00 0.00 C ATOM 783 CG PRO A 570 57.422 -9.489 -21.980 1.00 0.00 C ATOM 784 CD PRO A 570 57.211 -7.992 -21.775 1.00 0.00 C ATOM 0 HA PRO A 570 56.797 -9.120 -18.753 1.00 0.00 H new ATOM 0 HB2 PRO A 570 57.698 -11.055 -20.549 1.00 0.00 H new ATOM 0 HB3 PRO A 570 56.065 -10.420 -20.614 1.00 0.00 H new ATOM 0 HG2 PRO A 570 58.447 -9.698 -22.288 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.769 -9.869 -22.766 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.916 -7.406 -22.364 1.00 0.00 H new ATOM 0 HD3 PRO A 570 56.210 -7.686 -22.078 1.00 0.00 H new ATOM 792 N GLU A 571 59.907 -9.196 -19.800 1.00 0.00 N ATOM 793 CA GLU A 571 61.260 -9.526 -19.352 1.00 0.00 C ATOM 794 C GLU A 571 61.686 -8.577 -18.236 1.00 0.00 C ATOM 795 O GLU A 571 62.204 -9.004 -17.198 1.00 0.00 O ATOM 796 CB GLU A 571 62.242 -9.427 -20.524 1.00 0.00 C ATOM 797 CG GLU A 571 63.589 -10.035 -20.121 1.00 0.00 C ATOM 798 CD GLU A 571 64.615 -9.818 -21.229 1.00 0.00 C ATOM 799 OE1 GLU A 571 64.646 -8.728 -21.778 1.00 0.00 O ATOM 800 OE2 GLU A 571 65.355 -10.745 -21.514 1.00 0.00 O ATOM 0 H GLU A 571 59.851 -8.815 -20.744 1.00 0.00 H new ATOM 0 HA GLU A 571 61.265 -10.547 -18.972 1.00 0.00 H new ATOM 0 HB2 GLU A 571 61.841 -9.950 -21.392 1.00 0.00 H new ATOM 0 HB3 GLU A 571 62.374 -8.384 -20.813 1.00 0.00 H new ATOM 0 HG2 GLU A 571 63.940 -9.579 -19.195 1.00 0.00 H new ATOM 0 HG3 GLU A 571 63.472 -11.101 -19.927 1.00 0.00 H new ATOM 807 N VAL A 572 61.374 -7.299 -18.413 1.00 0.00 N ATOM 808 CA VAL A 572 61.701 -6.302 -17.405 1.00 0.00 C ATOM 809 C VAL A 572 60.772 -6.463 -16.199 1.00 0.00 C ATOM 810 O VAL A 572 61.187 -6.258 -15.066 1.00 0.00 O ATOM 811 CB VAL A 572 61.582 -4.892 -17.997 1.00 0.00 C ATOM 812 CG1 VAL A 572 61.975 -3.843 -16.949 1.00 0.00 C ATOM 813 CG2 VAL A 572 62.514 -4.765 -19.205 1.00 0.00 C ATOM 0 H VAL A 572 60.899 -6.932 -19.238 1.00 0.00 H new ATOM 0 HA VAL A 572 62.730 -6.448 -17.076 1.00 0.00 H new ATOM 0 HB VAL A 572 60.550 -4.725 -18.304 1.00 0.00 H new ATOM 0 HG11 VAL A 572 61.887 -2.846 -17.381 1.00 0.00 H new ATOM 0 HG12 VAL A 572 61.313 -3.925 -16.087 1.00 0.00 H new ATOM 0 HG13 VAL A 572 63.005 -4.012 -16.634 1.00 0.00 H new ATOM 0 HG21 VAL A 572 62.430 -3.763 -19.626 1.00 0.00 H new ATOM 0 HG22 VAL A 572 63.543 -4.941 -18.891 1.00 0.00 H new ATOM 0 HG23 VAL A 572 62.234 -5.500 -19.959 1.00 0.00 H new ATOM 823 N PHE A 573 59.528 -6.883 -16.447 1.00 0.00 N ATOM 824 CA PHE A 573 58.550 -7.077 -15.368 1.00 0.00 C ATOM 825 C PHE A 573 59.117 -7.998 -14.282 1.00 0.00 C ATOM 826 O PHE A 573 59.055 -7.675 -13.096 1.00 0.00 O ATOM 827 CB PHE A 573 57.258 -7.674 -15.954 1.00 0.00 C ATOM 828 CG PHE A 573 56.226 -8.107 -14.929 1.00 0.00 C ATOM 829 CD1 PHE A 573 55.524 -7.140 -14.166 1.00 0.00 C ATOM 830 CD2 PHE A 573 55.954 -9.485 -14.746 1.00 0.00 C ATOM 831 CE1 PHE A 573 54.552 -7.553 -13.222 1.00 0.00 C ATOM 832 CE2 PHE A 573 54.984 -9.897 -13.800 1.00 0.00 C ATOM 833 CZ PHE A 573 54.282 -8.931 -13.039 1.00 0.00 C ATOM 0 H PHE A 573 59.174 -7.095 -17.380 1.00 0.00 H new ATOM 0 HA PHE A 573 58.329 -6.113 -14.910 1.00 0.00 H new ATOM 0 HB2 PHE A 573 56.803 -6.937 -16.616 1.00 0.00 H new ATOM 0 HB3 PHE A 573 57.520 -8.535 -16.569 1.00 0.00 H new ATOM 0 HD1 PHE A 573 55.730 -6.089 -14.304 1.00 0.00 H new ATOM 0 HD2 PHE A 573 56.487 -10.222 -15.328 1.00 0.00 H new ATOM 0 HE1 PHE A 573 54.016 -6.816 -12.641 1.00 0.00 H new ATOM 0 HE2 PHE A 573 54.780 -10.948 -13.659 1.00 0.00 H new ATOM 0 HZ PHE A 573 53.541 -9.245 -12.319 1.00 0.00 H new ATOM 843 N LYS A 574 59.725 -9.108 -14.702 1.00 0.00 N ATOM 844 CA LYS A 574 60.373 -10.022 -13.758 1.00 0.00 C ATOM 845 C LYS A 574 61.502 -9.315 -13.003 1.00 0.00 C ATOM 846 O LYS A 574 61.591 -9.397 -11.777 1.00 0.00 O ATOM 847 CB LYS A 574 60.946 -11.226 -14.510 1.00 0.00 C ATOM 848 CG LYS A 574 59.803 -12.027 -15.136 1.00 0.00 C ATOM 849 CD LYS A 574 60.364 -13.294 -15.786 1.00 0.00 C ATOM 850 CE LYS A 574 59.240 -14.037 -16.510 1.00 0.00 C ATOM 851 NZ LYS A 574 59.780 -15.288 -17.114 1.00 0.00 N ATOM 0 H LYS A 574 59.783 -9.395 -15.679 1.00 0.00 H new ATOM 0 HA LYS A 574 59.625 -10.356 -13.040 1.00 0.00 H new ATOM 0 HB2 LYS A 574 61.636 -10.890 -15.284 1.00 0.00 H new ATOM 0 HB3 LYS A 574 61.516 -11.857 -13.828 1.00 0.00 H new ATOM 0 HG2 LYS A 574 59.069 -12.291 -14.374 1.00 0.00 H new ATOM 0 HG3 LYS A 574 59.286 -11.422 -15.881 1.00 0.00 H new ATOM 0 HD2 LYS A 574 61.155 -13.035 -16.490 1.00 0.00 H new ATOM 0 HD3 LYS A 574 60.810 -13.937 -15.028 1.00 0.00 H new ATOM 0 HE2 LYS A 574 58.438 -14.275 -15.811 1.00 0.00 H new ATOM 0 HE3 LYS A 574 58.810 -13.402 -17.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 59.016 -15.794 -17.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 60.531 -15.050 -17.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 60.170 -15.895 -16.365 1.00 0.00 H new ATOM 865 N LYS A 575 62.323 -8.569 -13.743 1.00 0.00 N ATOM 866 CA LYS A 575 63.500 -7.917 -13.159 1.00 0.00 C ATOM 867 C LYS A 575 63.100 -6.851 -12.135 1.00 0.00 C ATOM 868 O LYS A 575 63.514 -6.900 -10.970 1.00 0.00 O ATOM 869 CB LYS A 575 64.322 -7.262 -14.269 1.00 0.00 C ATOM 870 CG LYS A 575 64.995 -8.343 -15.118 1.00 0.00 C ATOM 871 CD LYS A 575 65.938 -7.686 -16.128 1.00 0.00 C ATOM 872 CE LYS A 575 66.529 -8.757 -17.046 1.00 0.00 C ATOM 873 NZ LYS A 575 67.451 -8.116 -18.027 1.00 0.00 N ATOM 0 H LYS A 575 62.198 -8.401 -14.741 1.00 0.00 H new ATOM 0 HA LYS A 575 64.089 -8.679 -12.649 1.00 0.00 H new ATOM 0 HB2 LYS A 575 63.679 -6.643 -14.894 1.00 0.00 H new ATOM 0 HB3 LYS A 575 65.076 -6.604 -13.837 1.00 0.00 H new ATOM 0 HG2 LYS A 575 65.551 -9.029 -14.479 1.00 0.00 H new ATOM 0 HG3 LYS A 575 64.241 -8.933 -15.639 1.00 0.00 H new ATOM 0 HD2 LYS A 575 65.398 -6.945 -16.717 1.00 0.00 H new ATOM 0 HD3 LYS A 575 66.736 -7.158 -15.606 1.00 0.00 H new ATOM 0 HE2 LYS A 575 67.067 -9.500 -16.457 1.00 0.00 H new ATOM 0 HE3 LYS A 575 65.731 -9.283 -17.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 68.298 -8.708 -18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 66.968 -8.015 -18.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 67.731 -7.177 -17.678 1.00 0.00 H new ATOM 887 N ILE A 576 62.251 -5.921 -12.564 1.00 0.00 N ATOM 888 CA ILE A 576 61.848 -4.792 -11.720 1.00 0.00 C ATOM 889 C ILE A 576 61.175 -5.303 -10.435 1.00 0.00 C ATOM 890 O ILE A 576 61.514 -4.871 -9.331 1.00 0.00 O ATOM 891 CB ILE A 576 60.886 -3.865 -12.498 1.00 0.00 C ATOM 892 CG1 ILE A 576 61.532 -3.411 -13.829 1.00 0.00 C ATOM 893 CG2 ILE A 576 60.527 -2.638 -11.645 1.00 0.00 C ATOM 894 CD1 ILE A 576 62.711 -2.460 -13.592 1.00 0.00 C ATOM 0 H ILE A 576 61.827 -5.924 -13.492 1.00 0.00 H new ATOM 0 HA ILE A 576 62.736 -4.223 -11.445 1.00 0.00 H new ATOM 0 HB ILE A 576 59.975 -4.421 -12.722 1.00 0.00 H new ATOM 0 HG12 ILE A 576 61.875 -4.284 -14.384 1.00 0.00 H new ATOM 0 HG13 ILE A 576 60.783 -2.915 -14.446 1.00 0.00 H new ATOM 0 HG21 ILE A 576 59.849 -1.992 -12.203 1.00 0.00 H new ATOM 0 HG22 ILE A 576 60.042 -2.964 -10.725 1.00 0.00 H new ATOM 0 HG23 ILE A 576 61.435 -2.086 -11.401 1.00 0.00 H new ATOM 0 HD11 ILE A 576 63.138 -2.164 -14.550 1.00 0.00 H new ATOM 0 HD12 ILE A 576 62.363 -1.574 -13.060 1.00 0.00 H new ATOM 0 HD13 ILE A 576 63.472 -2.965 -12.997 1.00 0.00 H new ATOM 906 N GLN A 577 60.275 -6.277 -10.586 1.00 0.00 N ATOM 907 CA GLN A 577 59.539 -6.822 -9.441 1.00 0.00 C ATOM 908 C GLN A 577 60.483 -7.412 -8.390 1.00 0.00 C ATOM 909 O GLN A 577 60.322 -7.162 -7.197 1.00 0.00 O ATOM 910 CB GLN A 577 58.573 -7.911 -9.908 1.00 0.00 C ATOM 911 CG GLN A 577 57.349 -7.266 -10.559 1.00 0.00 C ATOM 912 CD GLN A 577 56.277 -8.321 -10.801 1.00 0.00 C ATOM 913 OE1 GLN A 577 56.545 -9.348 -11.425 1.00 0.00 O ATOM 914 NE2 GLN A 577 55.072 -8.131 -10.338 1.00 0.00 N ATOM 0 H GLN A 577 60.039 -6.703 -11.482 1.00 0.00 H new ATOM 0 HA GLN A 577 58.987 -5.999 -8.988 1.00 0.00 H new ATOM 0 HB2 GLN A 577 59.070 -8.572 -10.619 1.00 0.00 H new ATOM 0 HB3 GLN A 577 58.266 -8.526 -9.062 1.00 0.00 H new ATOM 0 HG2 GLN A 577 56.957 -6.477 -9.917 1.00 0.00 H new ATOM 0 HG3 GLN A 577 57.631 -6.798 -11.502 1.00 0.00 H new ATOM 0 HE21 GLN A 577 54.853 -7.279 -9.821 1.00 0.00 H new ATOM 0 HE22 GLN A 577 54.349 -8.834 -10.493 1.00 0.00 H new ATOM 923 N THR A 578 61.475 -8.184 -8.843 1.00 0.00 N ATOM 924 CA THR A 578 62.357 -8.908 -7.926 1.00 0.00 C ATOM 925 C THR A 578 63.024 -7.963 -6.926 1.00 0.00 C ATOM 926 O THR A 578 62.939 -8.177 -5.715 1.00 0.00 O ATOM 927 CB THR A 578 63.435 -9.665 -8.716 1.00 0.00 C ATOM 928 OG1 THR A 578 62.817 -10.415 -9.752 1.00 0.00 O ATOM 929 CG2 THR A 578 64.205 -10.616 -7.787 1.00 0.00 C ATOM 0 H THR A 578 61.686 -8.323 -9.831 1.00 0.00 H new ATOM 0 HA THR A 578 61.744 -9.617 -7.369 1.00 0.00 H new ATOM 0 HB THR A 578 64.134 -8.946 -9.144 1.00 0.00 H new ATOM 0 HG1 THR A 578 62.718 -9.853 -10.549 1.00 0.00 H new ATOM 0 HG21 THR A 578 64.966 -11.147 -8.359 1.00 0.00 H new ATOM 0 HG22 THR A 578 64.682 -10.042 -6.993 1.00 0.00 H new ATOM 0 HG23 THR A 578 63.513 -11.336 -7.349 1.00 0.00 H new ATOM 937 N LEU A 579 63.639 -6.893 -7.424 1.00 0.00 N ATOM 938 CA LEU A 579 64.414 -6.016 -6.543 1.00 0.00 C ATOM 939 C LEU A 579 63.509 -5.244 -5.583 1.00 0.00 C ATOM 940 O LEU A 579 63.890 -4.991 -4.439 1.00 0.00 O ATOM 941 CB LEU A 579 65.267 -5.030 -7.351 1.00 0.00 C ATOM 942 CG LEU A 579 66.129 -5.768 -8.391 1.00 0.00 C ATOM 943 CD1 LEU A 579 67.131 -4.784 -8.988 1.00 0.00 C ATOM 944 CD2 LEU A 579 66.904 -6.927 -7.744 1.00 0.00 C ATOM 0 H LEU A 579 63.620 -6.615 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 579 65.074 -6.657 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 579 64.620 -4.312 -7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.910 -4.463 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 579 65.473 -6.172 -9.162 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.748 -5.296 -9.727 1.00 0.00 H new ATOM 0 HD12 LEU A 579 66.595 -3.965 -9.468 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.767 -4.387 -8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 579 67.504 -7.431 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.557 -6.537 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 579 66.201 -7.636 -7.308 1.00 0.00 H new ATOM 956 N ILE A 580 62.312 -4.871 -6.045 1.00 0.00 N ATOM 957 CA ILE A 580 61.370 -4.131 -5.198 1.00 0.00 C ATOM 958 C ILE A 580 60.915 -4.999 -4.018 1.00 0.00 C ATOM 959 O ILE A 580 60.908 -4.546 -2.872 1.00 0.00 O ATOM 960 CB ILE A 580 60.157 -3.682 -6.029 1.00 0.00 C ATOM 961 CG1 ILE A 580 60.637 -2.803 -7.190 1.00 0.00 C ATOM 962 CG2 ILE A 580 59.193 -2.870 -5.153 1.00 0.00 C ATOM 963 CD1 ILE A 580 59.482 -2.555 -8.164 1.00 0.00 C ATOM 0 H ILE A 580 61.975 -5.066 -6.988 1.00 0.00 H new ATOM 0 HA ILE A 580 61.873 -3.248 -4.803 1.00 0.00 H new ATOM 0 HB ILE A 580 59.642 -4.562 -6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 580 61.013 -1.854 -6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 580 61.464 -3.288 -7.708 1.00 0.00 H new ATOM 0 HG21 ILE A 580 58.336 -2.556 -5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 580 58.850 -3.486 -4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 580 59.707 -1.991 -4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 580 59.828 -1.930 -8.987 1.00 0.00 H new ATOM 0 HD12 ILE A 580 59.126 -3.508 -8.556 1.00 0.00 H new ATOM 0 HD13 ILE A 580 58.668 -2.051 -7.643 1.00 0.00 H new ATOM 975 N ALA A 581 60.536 -6.244 -4.311 1.00 0.00 N ATOM 976 CA ALA A 581 60.141 -7.191 -3.268 1.00 0.00 C ATOM 977 C ALA A 581 61.293 -7.446 -2.291 1.00 0.00 C ATOM 978 O ALA A 581 61.072 -7.686 -1.103 1.00 0.00 O ATOM 979 CB ALA A 581 59.713 -8.517 -3.902 1.00 0.00 C ATOM 0 H ALA A 581 60.494 -6.619 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 581 59.306 -6.757 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 581 59.420 -9.217 -3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 581 58.869 -8.345 -4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 581 60.545 -8.934 -4.469 1.00 0.00 H new ATOM 985 N ALA A 582 62.520 -7.391 -2.810 1.00 0.00 N ATOM 986 CA ALA A 582 63.711 -7.595 -1.988 1.00 0.00 C ATOM 987 C ALA A 582 64.017 -6.376 -1.104 1.00 0.00 C ATOM 988 O ALA A 582 64.924 -6.433 -0.272 1.00 0.00 O ATOM 989 CB ALA A 582 64.914 -7.890 -2.887 1.00 0.00 C ATOM 0 H ALA A 582 62.714 -7.207 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 582 63.516 -8.442 -1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 582 65.800 -8.042 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 582 64.720 -8.790 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 582 65.080 -7.049 -3.560 1.00 0.00 H new ATOM 995 N GLY A 583 63.269 -5.279 -1.277 1.00 0.00 N ATOM 996 CA GLY A 583 63.492 -4.076 -0.475 1.00 0.00 C ATOM 997 C GLY A 583 64.789 -3.366 -0.864 1.00 0.00 C ATOM 998 O GLY A 583 65.373 -2.648 -0.051 1.00 0.00 O ATOM 0 H GLY A 583 62.513 -5.202 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 583 62.652 -3.393 -0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 583 63.527 -4.345 0.581 1.00 0.00 H new ATOM 1002 N ILE A 584 65.231 -3.561 -2.107 1.00 0.00 N ATOM 1003 CA ILE A 584 66.471 -2.940 -2.575 1.00 0.00 C ATOM 1004 C ILE A 584 66.189 -1.579 -3.212 1.00 0.00 C ATOM 1005 O ILE A 584 67.021 -0.673 -3.146 1.00 0.00 O ATOM 1006 CB ILE A 584 67.177 -3.838 -3.602 1.00 0.00 C ATOM 1007 CG1 ILE A 584 67.203 -5.292 -3.101 1.00 0.00 C ATOM 1008 CG2 ILE A 584 68.614 -3.341 -3.791 1.00 0.00 C ATOM 1009 CD1 ILE A 584 67.796 -6.215 -4.174 1.00 0.00 C ATOM 0 H ILE A 584 64.755 -4.137 -2.801 1.00 0.00 H new ATOM 0 HA ILE A 584 67.119 -2.806 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 584 66.639 -3.798 -4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 584 67.794 -5.358 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 584 66.193 -5.616 -2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 584 69.124 -3.972 -4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 584 68.599 -2.312 -4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 584 69.142 -3.385 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 584 67.808 -7.241 -3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 584 67.188 -6.161 -5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 584 68.814 -5.900 -4.403 1.00 0.00 H new ATOM 1021 N ILE A 585 65.012 -1.443 -3.826 1.00 0.00 N ATOM 1022 CA ILE A 585 64.665 -0.224 -4.553 1.00 0.00 C ATOM 1023 C ILE A 585 63.320 0.307 -4.060 1.00 0.00 C ATOM 1024 O ILE A 585 62.391 -0.467 -3.820 1.00 0.00 O ATOM 1025 CB ILE A 585 64.595 -0.518 -6.059 1.00 0.00 C ATOM 1026 CG1 ILE A 585 65.917 -1.143 -6.523 1.00 0.00 C ATOM 1027 CG2 ILE A 585 64.353 0.782 -6.834 1.00 0.00 C ATOM 1028 CD1 ILE A 585 65.769 -1.666 -7.954 1.00 0.00 C ATOM 0 H ILE A 585 64.287 -2.160 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 585 65.431 0.531 -4.375 1.00 0.00 H new ATOM 0 HB ILE A 585 63.774 -1.210 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 585 66.716 -0.403 -6.477 1.00 0.00 H new ATOM 0 HG13 ILE A 585 66.199 -1.957 -5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 585 64.305 0.566 -7.901 1.00 0.00 H new ATOM 0 HG22 ILE A 585 63.412 1.228 -6.511 1.00 0.00 H new ATOM 0 HG23 ILE A 585 65.170 1.478 -6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 585 66.711 -2.109 -8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 585 64.983 -2.420 -7.986 1.00 0.00 H new ATOM 0 HD13 ILE A 585 65.508 -0.842 -8.618 1.00 0.00 H new ATOM 1040 N ARG A 586 63.223 1.628 -3.912 1.00 0.00 N ATOM 1041 CA ARG A 586 61.999 2.247 -3.409 1.00 0.00 C ATOM 1042 C ARG A 586 61.132 2.744 -4.562 1.00 0.00 C ATOM 1043 O ARG A 586 61.552 3.600 -5.342 1.00 0.00 O ATOM 1044 CB ARG A 586 62.348 3.419 -2.490 1.00 0.00 C ATOM 1045 CG ARG A 586 63.085 2.898 -1.255 1.00 0.00 C ATOM 1046 CD ARG A 586 63.337 4.053 -0.285 1.00 0.00 C ATOM 1047 NE ARG A 586 64.203 3.615 0.811 1.00 0.00 N ATOM 1048 CZ ARG A 586 65.512 3.378 0.641 1.00 0.00 C ATOM 1049 NH1 ARG A 586 66.087 3.529 -0.529 1.00 0.00 N ATOM 1050 NH2 ARG A 586 66.229 2.990 1.660 1.00 0.00 N ATOM 0 H ARG A 586 63.972 2.285 -4.132 1.00 0.00 H new ATOM 0 HA ARG A 586 61.440 1.497 -2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 586 62.971 4.139 -3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 586 61.440 3.943 -2.191 1.00 0.00 H new ATOM 0 HG2 ARG A 586 62.495 2.122 -0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 586 64.031 2.443 -1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 586 63.800 4.886 -0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 586 62.390 4.416 0.114 1.00 0.00 H new ATOM 0 HE ARG A 586 63.796 3.485 1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 586 65.537 3.832 -1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 586 67.084 3.343 -0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 586 65.793 2.870 2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 586 67.225 2.807 1.542 1.00 0.00 H new