USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=8 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= -0.0879 K(o=-9.4,f=-10) USER MOD Set 1.2: A 566 HIS : no HD1:sc= -9.3! C(o=-9.4!,f=-10!) USER MOD Single : A 530 THR OG1 : rot 173:sc= -0.503 USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 532 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 535 MET CE :methyl 160:sc= -6.61! (180deg=-8.73!) USER MOD Single : A 536 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 544 MET CE :methyl 150:sc= -1.52 (180deg=-2.37!) USER MOD Single : A 545 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 549 MET CE :methyl -162:sc= -5.8! (180deg=-6!) USER MOD Single : A 550 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 551 SER OG : rot 79:sc= 0.253 USER MOD Single : A 554 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 557 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 558 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 559 ASN : amide:sc=-0.00933 X(o=-0.0093,f=-0.34) USER MOD Single : A 564 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 567 MET CE :methyl -156:sc= -0.105 (180deg=-0.987) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.6) USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 GLN : amide:sc= -5.47 X(o=-5.5,f=-5.4!) USER MOD Single : A 578 THR OG1 : rot 83:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 527 69.569 -2.452 7.301 1.00 0.00 N ATOM 108 CA PRO A 527 69.110 -2.690 5.892 1.00 0.00 C ATOM 109 C PRO A 527 70.172 -3.338 4.995 1.00 0.00 C ATOM 110 O PRO A 527 69.841 -3.981 3.997 1.00 0.00 O ATOM 111 CB PRO A 527 68.767 -1.287 5.406 1.00 0.00 C ATOM 112 CG PRO A 527 68.257 -0.580 6.616 1.00 0.00 C ATOM 113 CD PRO A 527 68.968 -1.201 7.824 1.00 0.00 C ATOM 0 HA PRO A 527 68.280 -3.395 5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 527 69.643 -0.786 4.994 1.00 0.00 H new ATOM 0 HB3 PRO A 527 68.015 -1.314 4.617 1.00 0.00 H new ATOM 0 HG2 PRO A 527 68.462 0.489 6.554 1.00 0.00 H new ATOM 0 HG3 PRO A 527 67.176 -0.693 6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 527 69.730 -0.532 8.223 1.00 0.00 H new ATOM 0 HD3 PRO A 527 68.268 -1.406 8.634 1.00 0.00 H new ATOM 121 N GLU A 528 71.449 -3.186 5.361 1.00 0.00 N ATOM 122 CA GLU A 528 72.524 -3.898 4.661 1.00 0.00 C ATOM 123 C GLU A 528 72.275 -5.412 4.698 1.00 0.00 C ATOM 124 O GLU A 528 72.593 -6.130 3.747 1.00 0.00 O ATOM 125 CB GLU A 528 73.878 -3.580 5.304 1.00 0.00 C ATOM 126 CG GLU A 528 75.006 -4.049 4.381 1.00 0.00 C ATOM 127 CD GLU A 528 75.087 -3.158 3.143 1.00 0.00 C ATOM 128 OE1 GLU A 528 74.858 -1.966 3.274 1.00 0.00 O ATOM 129 OE2 GLU A 528 75.376 -3.683 2.080 1.00 0.00 O ATOM 0 H GLU A 528 71.761 -2.587 6.125 1.00 0.00 H new ATOM 0 HA GLU A 528 72.537 -3.567 3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 528 73.964 -2.509 5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 528 73.957 -4.074 6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 528 75.955 -4.026 4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 528 74.834 -5.083 4.082 1.00 0.00 H new ATOM 136 N GLU A 529 71.642 -5.875 5.779 1.00 0.00 N ATOM 137 CA GLU A 529 71.230 -7.273 5.880 1.00 0.00 C ATOM 138 C GLU A 529 70.167 -7.590 4.828 1.00 0.00 C ATOM 139 O GLU A 529 70.152 -8.681 4.258 1.00 0.00 O ATOM 140 CB GLU A 529 70.669 -7.555 7.275 1.00 0.00 C ATOM 141 CG GLU A 529 70.619 -9.067 7.511 1.00 0.00 C ATOM 142 CD GLU A 529 69.946 -9.368 8.846 1.00 0.00 C ATOM 143 OE1 GLU A 529 70.225 -8.663 9.803 1.00 0.00 O ATOM 144 OE2 GLU A 529 69.161 -10.300 8.894 1.00 0.00 O ATOM 0 H GLU A 529 71.406 -5.304 6.591 1.00 0.00 H new ATOM 0 HA GLU A 529 72.101 -7.904 5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 529 71.292 -7.079 8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 529 69.670 -7.128 7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 529 70.072 -9.551 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 529 71.629 -9.478 7.503 1.00 0.00 H new ATOM 151 N THR A 530 69.299 -6.613 4.550 1.00 0.00 N ATOM 152 CA THR A 530 68.249 -6.785 3.543 1.00 0.00 C ATOM 153 C THR A 530 68.858 -7.096 2.176 1.00 0.00 C ATOM 154 O THR A 530 68.401 -7.999 1.475 1.00 0.00 O ATOM 155 CB THR A 530 67.406 -5.512 3.442 1.00 0.00 C ATOM 156 OG1 THR A 530 67.083 -5.056 4.749 1.00 0.00 O ATOM 157 CG2 THR A 530 66.117 -5.810 2.673 1.00 0.00 C ATOM 0 H THR A 530 69.302 -5.700 5.005 1.00 0.00 H new ATOM 0 HA THR A 530 67.618 -7.619 3.848 1.00 0.00 H new ATOM 0 HB THR A 530 67.971 -4.743 2.916 1.00 0.00 H new ATOM 0 HG1 THR A 530 66.642 -4.183 4.691 1.00 0.00 H new ATOM 0 HG21 THR A 530 65.518 -4.902 2.602 1.00 0.00 H new ATOM 0 HG22 THR A 530 66.364 -6.161 1.671 1.00 0.00 H new ATOM 0 HG23 THR A 530 65.550 -6.579 3.197 1.00 0.00 H new ATOM 165 N TYR A 531 69.910 -6.357 1.818 1.00 0.00 N ATOM 166 CA TYR A 531 70.580 -6.558 0.534 1.00 0.00 C ATOM 167 C TYR A 531 71.116 -7.983 0.407 1.00 0.00 C ATOM 168 O TYR A 531 70.892 -8.646 -0.604 1.00 0.00 O ATOM 169 CB TYR A 531 71.734 -5.562 0.377 1.00 0.00 C ATOM 170 CG TYR A 531 71.311 -4.110 0.442 1.00 0.00 C ATOM 171 CD1 TYR A 531 70.127 -3.678 -0.208 1.00 0.00 C ATOM 172 CD2 TYR A 531 72.105 -3.177 1.153 1.00 0.00 C ATOM 173 CE1 TYR A 531 69.739 -2.317 -0.145 1.00 0.00 C ATOM 174 CE2 TYR A 531 71.716 -1.817 1.217 1.00 0.00 C ATOM 175 CZ TYR A 531 70.533 -1.387 0.567 1.00 0.00 C ATOM 176 OH TYR A 531 70.155 -0.062 0.628 1.00 0.00 O ATOM 0 H TYR A 531 70.313 -5.619 2.395 1.00 0.00 H new ATOM 0 HA TYR A 531 69.845 -6.393 -0.254 1.00 0.00 H new ATOM 0 HB2 TYR A 531 72.471 -5.750 1.158 1.00 0.00 H new ATOM 0 HB3 TYR A 531 72.228 -5.743 -0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 531 69.520 -4.387 -0.752 1.00 0.00 H new ATOM 0 HD2 TYR A 531 73.008 -3.503 1.647 1.00 0.00 H new ATOM 0 HE1 TYR A 531 68.837 -1.989 -0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 531 72.321 -1.107 1.761 1.00 0.00 H new ATOM 0 HH TYR A 531 70.809 0.441 1.156 1.00 0.00 H new ATOM 186 N GLN A 532 71.791 -8.467 1.452 1.00 0.00 N ATOM 187 CA GLN A 532 72.358 -9.821 1.428 1.00 0.00 C ATOM 188 C GLN A 532 71.270 -10.875 1.207 1.00 0.00 C ATOM 189 O GLN A 532 71.430 -11.784 0.387 1.00 0.00 O ATOM 190 CB GLN A 532 73.093 -10.112 2.737 1.00 0.00 C ATOM 191 CG GLN A 532 74.350 -9.245 2.822 1.00 0.00 C ATOM 192 CD GLN A 532 75.323 -9.835 3.836 1.00 0.00 C ATOM 193 OE1 GLN A 532 74.904 -10.349 4.873 1.00 0.00 O ATOM 194 NE2 GLN A 532 76.605 -9.795 3.596 1.00 0.00 N ATOM 0 H GLN A 532 71.958 -7.951 2.316 1.00 0.00 H new ATOM 0 HA GLN A 532 73.062 -9.871 0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 532 72.440 -9.908 3.586 1.00 0.00 H new ATOM 0 HB3 GLN A 532 73.362 -11.167 2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 532 74.826 -9.183 1.843 1.00 0.00 H new ATOM 0 HG3 GLN A 532 74.082 -8.229 3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 532 76.950 -9.369 2.736 1.00 0.00 H new ATOM 0 HE22 GLN A 532 77.262 -10.190 4.268 1.00 0.00 H new ATOM 203 N ARG A 533 70.133 -10.711 1.887 1.00 0.00 N ATOM 204 CA ARG A 533 69.028 -11.663 1.756 1.00 0.00 C ATOM 205 C ARG A 533 68.578 -11.752 0.299 1.00 0.00 C ATOM 206 O ARG A 533 68.540 -12.837 -0.281 1.00 0.00 O ATOM 207 CB ARG A 533 67.851 -11.231 2.636 1.00 0.00 C ATOM 208 CG ARG A 533 66.835 -12.370 2.732 1.00 0.00 C ATOM 209 CD ARG A 533 65.634 -11.916 3.562 1.00 0.00 C ATOM 210 NE ARG A 533 64.724 -13.039 3.796 1.00 0.00 N ATOM 211 CZ ARG A 533 63.930 -13.531 2.834 1.00 0.00 C ATOM 212 NH1 ARG A 533 63.927 -13.023 1.624 1.00 0.00 N ATOM 213 NH2 ARG A 533 63.144 -14.537 3.107 1.00 0.00 N ATOM 0 H ARG A 533 69.954 -9.937 2.527 1.00 0.00 H new ATOM 0 HA ARG A 533 69.374 -12.644 2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 533 68.207 -10.963 3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 533 67.378 -10.343 2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 533 66.510 -12.666 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 533 67.296 -13.245 3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 533 65.974 -11.510 4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 533 65.108 -11.114 3.044 1.00 0.00 H new ATOM 0 HE ARG A 533 64.693 -13.462 4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 533 64.537 -12.237 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 533 63.314 -13.414 0.908 1.00 0.00 H new ATOM 0 HH21 ARG A 533 63.138 -14.940 4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 533 62.536 -14.920 2.383 1.00 0.00 H new ATOM 227 N ALA A 534 68.377 -10.590 -0.320 1.00 0.00 N ATOM 228 CA ALA A 534 67.973 -10.531 -1.728 1.00 0.00 C ATOM 229 C ALA A 534 69.037 -11.165 -2.628 1.00 0.00 C ATOM 230 O ALA A 534 68.715 -11.826 -3.616 1.00 0.00 O ATOM 231 CB ALA A 534 67.762 -9.074 -2.144 1.00 0.00 C ATOM 0 H ALA A 534 68.486 -9.679 0.127 1.00 0.00 H new ATOM 0 HA ALA A 534 67.043 -11.088 -1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 534 67.462 -9.034 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 534 66.983 -8.628 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 534 68.691 -8.520 -2.012 1.00 0.00 H new ATOM 237 N MET A 535 70.304 -10.977 -2.257 1.00 0.00 N ATOM 238 CA MET A 535 71.423 -11.477 -3.058 1.00 0.00 C ATOM 239 C MET A 535 71.426 -13.006 -3.133 1.00 0.00 C ATOM 240 O MET A 535 71.963 -13.579 -4.082 1.00 0.00 O ATOM 241 CB MET A 535 72.748 -10.981 -2.478 1.00 0.00 C ATOM 242 CG MET A 535 72.917 -9.493 -2.801 1.00 0.00 C ATOM 243 SD MET A 535 73.311 -9.292 -4.558 1.00 0.00 S ATOM 244 CE MET A 535 71.676 -8.729 -5.105 1.00 0.00 C ATOM 0 H MET A 535 70.581 -10.483 -1.409 1.00 0.00 H new ATOM 0 HA MET A 535 71.303 -11.093 -4.071 1.00 0.00 H new ATOM 0 HB2 MET A 535 72.766 -11.135 -1.399 1.00 0.00 H new ATOM 0 HB3 MET A 535 73.577 -11.552 -2.895 1.00 0.00 H new ATOM 0 HG2 MET A 535 72.002 -8.952 -2.559 1.00 0.00 H new ATOM 0 HG3 MET A 535 73.711 -9.066 -2.189 1.00 0.00 H new ATOM 0 HE1 MET A 535 71.770 -8.214 -6.061 1.00 0.00 H new ATOM 0 HE2 MET A 535 71.015 -9.588 -5.218 1.00 0.00 H new ATOM 0 HE3 MET A 535 71.260 -8.046 -4.365 1.00 0.00 H new ATOM 254 N LYS A 536 70.832 -13.661 -2.135 1.00 0.00 N ATOM 255 CA LYS A 536 70.644 -15.109 -2.196 1.00 0.00 C ATOM 256 C LYS A 536 69.583 -15.474 -3.240 1.00 0.00 C ATOM 257 O LYS A 536 69.548 -16.606 -3.726 1.00 0.00 O ATOM 258 CB LYS A 536 70.233 -15.650 -0.825 1.00 0.00 C ATOM 259 CG LYS A 536 71.377 -15.444 0.169 1.00 0.00 C ATOM 260 CD LYS A 536 71.015 -16.092 1.508 1.00 0.00 C ATOM 261 CE LYS A 536 72.109 -15.793 2.533 1.00 0.00 C ATOM 262 NZ LYS A 536 71.888 -16.623 3.751 1.00 0.00 N ATOM 0 H LYS A 536 70.478 -13.219 -1.287 1.00 0.00 H new ATOM 0 HA LYS A 536 71.591 -15.563 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 536 69.336 -15.139 -0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 536 69.988 -16.709 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 536 72.296 -15.882 -0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 536 71.565 -14.379 0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 536 70.057 -15.710 1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 536 70.903 -17.169 1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 536 73.089 -16.007 2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 536 72.098 -14.735 2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 536 72.632 -16.420 4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 536 70.959 -16.398 4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 536 71.919 -17.630 3.495 1.00 0.00 H new ATOM 276 N ASP A 537 68.722 -14.512 -3.578 1.00 0.00 N ATOM 277 CA ASP A 537 67.747 -14.702 -4.646 1.00 0.00 C ATOM 278 C ASP A 537 68.399 -14.431 -6.010 1.00 0.00 C ATOM 279 O ASP A 537 68.765 -13.291 -6.301 1.00 0.00 O ATOM 280 CB ASP A 537 66.565 -13.747 -4.448 1.00 0.00 C ATOM 281 CG ASP A 537 65.401 -14.118 -5.372 1.00 0.00 C ATOM 282 OD1 ASP A 537 65.454 -15.177 -5.984 1.00 0.00 O ATOM 283 OD2 ASP A 537 64.470 -13.335 -5.455 1.00 0.00 O ATOM 0 H ASP A 537 68.682 -13.598 -3.128 1.00 0.00 H new ATOM 0 HA ASP A 537 67.391 -15.732 -4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 537 66.235 -13.781 -3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 537 66.882 -12.724 -4.649 1.00 0.00 H new ATOM 288 N PRO A 538 68.546 -15.438 -6.853 1.00 0.00 N ATOM 289 CA PRO A 538 69.356 -15.303 -8.111 1.00 0.00 C ATOM 290 C PRO A 538 68.886 -14.146 -8.995 1.00 0.00 C ATOM 291 O PRO A 538 69.695 -13.514 -9.678 1.00 0.00 O ATOM 292 CB PRO A 538 69.171 -16.645 -8.831 1.00 0.00 C ATOM 293 CG PRO A 538 68.724 -17.606 -7.784 1.00 0.00 C ATOM 294 CD PRO A 538 67.960 -16.789 -6.747 1.00 0.00 C ATOM 0 HA PRO A 538 70.398 -15.078 -7.885 1.00 0.00 H new ATOM 0 HB2 PRO A 538 68.432 -16.563 -9.628 1.00 0.00 H new ATOM 0 HB3 PRO A 538 70.102 -16.974 -9.292 1.00 0.00 H new ATOM 0 HG2 PRO A 538 68.088 -18.380 -8.214 1.00 0.00 H new ATOM 0 HG3 PRO A 538 69.577 -18.110 -7.330 1.00 0.00 H new ATOM 0 HD2 PRO A 538 66.890 -16.778 -6.957 1.00 0.00 H new ATOM 0 HD3 PRO A 538 68.084 -17.200 -5.745 1.00 0.00 H new ATOM 302 N GLU A 539 67.592 -13.837 -8.938 1.00 0.00 N ATOM 303 CA GLU A 539 67.033 -12.788 -9.788 1.00 0.00 C ATOM 304 C GLU A 539 67.556 -11.419 -9.357 1.00 0.00 C ATOM 305 O GLU A 539 67.838 -10.560 -10.196 1.00 0.00 O ATOM 306 CB GLU A 539 65.505 -12.805 -9.711 1.00 0.00 C ATOM 307 CG GLU A 539 64.978 -14.118 -10.294 1.00 0.00 C ATOM 308 CD GLU A 539 63.454 -14.109 -10.304 1.00 0.00 C ATOM 309 OE1 GLU A 539 62.873 -14.279 -9.245 1.00 0.00 O ATOM 310 OE2 GLU A 539 62.889 -13.934 -11.371 1.00 0.00 O ATOM 0 H GLU A 539 66.919 -14.291 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 539 67.341 -12.976 -10.817 1.00 0.00 H new ATOM 0 HB2 GLU A 539 65.181 -12.699 -8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 539 65.093 -11.959 -10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 539 65.356 -14.253 -11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 539 65.341 -14.959 -9.704 1.00 0.00 H new ATOM 317 N VAL A 540 67.751 -11.247 -8.050 1.00 0.00 N ATOM 318 CA VAL A 540 68.244 -9.978 -7.518 1.00 0.00 C ATOM 319 C VAL A 540 69.681 -9.745 -7.977 1.00 0.00 C ATOM 320 O VAL A 540 70.038 -8.639 -8.385 1.00 0.00 O ATOM 321 CB VAL A 540 68.181 -9.988 -5.981 1.00 0.00 C ATOM 322 CG1 VAL A 540 68.568 -8.612 -5.431 1.00 0.00 C ATOM 323 CG2 VAL A 540 66.757 -10.330 -5.522 1.00 0.00 C ATOM 0 H VAL A 540 67.577 -11.964 -7.346 1.00 0.00 H new ATOM 0 HA VAL A 540 67.614 -9.171 -7.892 1.00 0.00 H new ATOM 0 HB VAL A 540 68.878 -10.738 -5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 540 68.520 -8.629 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 540 69.582 -8.366 -5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 540 67.877 -7.860 -5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 540 66.717 -10.336 -4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 540 66.062 -9.584 -5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 540 66.479 -11.314 -5.900 1.00 0.00 H new ATOM 333 N ALA A 541 70.497 -10.798 -7.926 1.00 0.00 N ATOM 334 CA ALA A 541 71.890 -10.709 -8.368 1.00 0.00 C ATOM 335 C ALA A 541 71.961 -10.251 -9.824 1.00 0.00 C ATOM 336 O ALA A 541 72.729 -9.352 -10.171 1.00 0.00 O ATOM 337 CB ALA A 541 72.564 -12.078 -8.226 1.00 0.00 C ATOM 0 H ALA A 541 70.220 -11.719 -7.585 1.00 0.00 H new ATOM 0 HA ALA A 541 72.408 -9.980 -7.746 1.00 0.00 H new ATOM 0 HB1 ALA A 541 73.601 -12.009 -8.556 1.00 0.00 H new ATOM 0 HB2 ALA A 541 72.535 -12.391 -7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 541 72.036 -12.809 -8.839 1.00 0.00 H new ATOM 343 N ALA A 542 71.088 -10.820 -10.652 1.00 0.00 N ATOM 344 CA ALA A 542 71.093 -10.530 -12.086 1.00 0.00 C ATOM 345 C ALA A 542 70.855 -9.044 -12.357 1.00 0.00 C ATOM 346 O ALA A 542 71.527 -8.449 -13.203 1.00 0.00 O ATOM 347 CB ALA A 542 70.013 -11.354 -12.791 1.00 0.00 C ATOM 0 H ALA A 542 70.370 -11.482 -10.357 1.00 0.00 H new ATOM 0 HA ALA A 542 72.076 -10.797 -12.475 1.00 0.00 H new ATOM 0 HB1 ALA A 542 70.024 -11.132 -13.858 1.00 0.00 H new ATOM 0 HB2 ALA A 542 70.208 -12.416 -12.640 1.00 0.00 H new ATOM 0 HB3 ALA A 542 69.036 -11.103 -12.378 1.00 0.00 H new ATOM 353 N ILE A 543 69.905 -8.449 -11.637 1.00 0.00 N ATOM 354 CA ILE A 543 69.569 -7.037 -11.841 1.00 0.00 C ATOM 355 C ILE A 543 70.710 -6.130 -11.364 1.00 0.00 C ATOM 356 O ILE A 543 71.165 -5.257 -12.104 1.00 0.00 O ATOM 357 CB ILE A 543 68.278 -6.686 -11.084 1.00 0.00 C ATOM 358 CG1 ILE A 543 67.154 -7.649 -11.494 1.00 0.00 C ATOM 359 CG2 ILE A 543 67.856 -5.250 -11.423 1.00 0.00 C ATOM 360 CD1 ILE A 543 65.953 -7.461 -10.564 1.00 0.00 C ATOM 0 H ILE A 543 69.358 -8.916 -10.913 1.00 0.00 H new ATOM 0 HA ILE A 543 69.418 -6.874 -12.908 1.00 0.00 H new ATOM 0 HB ILE A 543 68.460 -6.774 -10.013 1.00 0.00 H new ATOM 0 HG12 ILE A 543 66.860 -7.462 -12.527 1.00 0.00 H new ATOM 0 HG13 ILE A 543 67.508 -8.679 -11.445 1.00 0.00 H new ATOM 0 HG21 ILE A 543 66.941 -5.003 -10.885 1.00 0.00 H new ATOM 0 HG22 ILE A 543 68.647 -4.560 -11.129 1.00 0.00 H new ATOM 0 HG23 ILE A 543 67.681 -5.166 -12.496 1.00 0.00 H new ATOM 0 HD11 ILE A 543 65.156 -8.145 -10.856 1.00 0.00 H new ATOM 0 HD12 ILE A 543 66.252 -7.670 -9.537 1.00 0.00 H new ATOM 0 HD13 ILE A 543 65.594 -6.434 -10.636 1.00 0.00 H new ATOM 372 N MET A 544 71.164 -6.347 -10.128 1.00 0.00 N ATOM 373 CA MET A 544 72.213 -5.505 -9.539 1.00 0.00 C ATOM 374 C MET A 544 73.531 -5.604 -10.313 1.00 0.00 C ATOM 375 O MET A 544 74.421 -4.772 -10.133 1.00 0.00 O ATOM 376 CB MET A 544 72.455 -5.905 -8.085 1.00 0.00 C ATOM 377 CG MET A 544 71.365 -5.289 -7.205 1.00 0.00 C ATOM 378 SD MET A 544 71.801 -5.501 -5.462 1.00 0.00 S ATOM 379 CE MET A 544 70.606 -4.320 -4.790 1.00 0.00 C ATOM 0 H MET A 544 70.827 -7.092 -9.518 1.00 0.00 H new ATOM 0 HA MET A 544 71.864 -4.474 -9.591 1.00 0.00 H new ATOM 0 HB2 MET A 544 72.447 -6.991 -7.988 1.00 0.00 H new ATOM 0 HB3 MET A 544 73.438 -5.563 -7.760 1.00 0.00 H new ATOM 0 HG2 MET A 544 71.252 -4.230 -7.436 1.00 0.00 H new ATOM 0 HG3 MET A 544 70.406 -5.764 -7.411 1.00 0.00 H new ATOM 0 HE1 MET A 544 70.306 -4.635 -3.790 1.00 0.00 H new ATOM 0 HE2 MET A 544 71.062 -3.331 -4.738 1.00 0.00 H new ATOM 0 HE3 MET A 544 69.729 -4.282 -5.437 1.00 0.00 H new ATOM 389 N GLN A 545 73.652 -6.619 -11.170 1.00 0.00 N ATOM 390 CA GLN A 545 74.816 -6.733 -12.049 1.00 0.00 C ATOM 391 C GLN A 545 74.793 -5.698 -13.183 1.00 0.00 C ATOM 392 O GLN A 545 75.603 -5.786 -14.104 1.00 0.00 O ATOM 393 CB GLN A 545 74.892 -8.138 -12.640 1.00 0.00 C ATOM 394 CG GLN A 545 75.555 -9.083 -11.635 1.00 0.00 C ATOM 395 CD GLN A 545 75.692 -10.476 -12.242 1.00 0.00 C ATOM 396 OE1 GLN A 545 76.628 -10.735 -12.997 1.00 0.00 O ATOM 397 NE2 GLN A 545 74.810 -11.393 -11.953 1.00 0.00 N ATOM 0 H GLN A 545 72.966 -7.367 -11.274 1.00 0.00 H new ATOM 0 HA GLN A 545 75.699 -6.537 -11.440 1.00 0.00 H new ATOM 0 HB2 GLN A 545 73.892 -8.495 -12.885 1.00 0.00 H new ATOM 0 HB3 GLN A 545 75.461 -8.122 -13.570 1.00 0.00 H new ATOM 0 HG2 GLN A 545 76.537 -8.700 -11.356 1.00 0.00 H new ATOM 0 HG3 GLN A 545 74.961 -9.132 -10.722 1.00 0.00 H new ATOM 0 HE21 GLN A 545 74.035 -11.176 -11.327 1.00 0.00 H new ATOM 0 HE22 GLN A 545 74.896 -12.327 -12.353 1.00 0.00 H new ATOM 406 N ASP A 546 73.835 -4.756 -13.128 1.00 0.00 N ATOM 407 CA ASP A 546 73.897 -3.467 -13.863 1.00 0.00 C ATOM 408 C ASP A 546 72.879 -3.407 -15.003 1.00 0.00 C ATOM 409 O ASP A 546 71.868 -2.712 -14.898 1.00 0.00 O ATOM 410 CB ASP A 546 75.298 -3.165 -14.429 1.00 0.00 C ATOM 411 CG ASP A 546 75.512 -1.656 -14.590 1.00 0.00 C ATOM 412 OD1 ASP A 546 74.691 -0.893 -14.103 1.00 0.00 O ATOM 413 OD2 ASP A 546 76.502 -1.287 -15.200 1.00 0.00 O ATOM 0 H ASP A 546 72.988 -4.862 -12.570 1.00 0.00 H new ATOM 0 HA ASP A 546 73.654 -2.707 -13.121 1.00 0.00 H new ATOM 0 HB2 ASP A 546 76.059 -3.575 -13.765 1.00 0.00 H new ATOM 0 HB3 ASP A 546 75.418 -3.658 -15.394 1.00 0.00 H new ATOM 418 N PRO A 547 73.117 -4.126 -16.076 1.00 0.00 N ATOM 419 CA PRO A 547 72.707 -3.676 -17.449 1.00 0.00 C ATOM 420 C PRO A 547 71.238 -3.258 -17.544 1.00 0.00 C ATOM 421 O PRO A 547 70.928 -2.183 -18.060 1.00 0.00 O ATOM 422 CB PRO A 547 72.990 -4.891 -18.346 1.00 0.00 C ATOM 423 CG PRO A 547 73.138 -6.049 -17.419 1.00 0.00 C ATOM 424 CD PRO A 547 73.690 -5.479 -16.120 1.00 0.00 C ATOM 0 HA PRO A 547 73.257 -2.782 -17.743 1.00 0.00 H new ATOM 0 HB2 PRO A 547 72.175 -5.055 -19.051 1.00 0.00 H new ATOM 0 HB3 PRO A 547 73.896 -4.742 -18.934 1.00 0.00 H new ATOM 0 HG2 PRO A 547 72.180 -6.541 -17.253 1.00 0.00 H new ATOM 0 HG3 PRO A 547 73.813 -6.798 -17.834 1.00 0.00 H new ATOM 0 HD2 PRO A 547 73.386 -6.073 -15.258 1.00 0.00 H new ATOM 0 HD3 PRO A 547 74.780 -5.455 -16.122 1.00 0.00 H new ATOM 432 N VAL A 548 70.343 -4.081 -17.002 1.00 0.00 N ATOM 433 CA VAL A 548 68.910 -3.867 -17.199 1.00 0.00 C ATOM 434 C VAL A 548 68.463 -2.555 -16.550 1.00 0.00 C ATOM 435 O VAL A 548 67.846 -1.710 -17.204 1.00 0.00 O ATOM 436 CB VAL A 548 68.118 -5.043 -16.605 1.00 0.00 C ATOM 437 CG1 VAL A 548 66.618 -4.844 -16.849 1.00 0.00 C ATOM 438 CG2 VAL A 548 68.566 -6.349 -17.270 1.00 0.00 C ATOM 0 H VAL A 548 70.579 -4.892 -16.430 1.00 0.00 H new ATOM 0 HA VAL A 548 68.714 -3.806 -18.270 1.00 0.00 H new ATOM 0 HB VAL A 548 68.305 -5.090 -15.532 1.00 0.00 H new ATOM 0 HG11 VAL A 548 66.066 -5.682 -16.424 1.00 0.00 H new ATOM 0 HG12 VAL A 548 66.292 -3.918 -16.376 1.00 0.00 H new ATOM 0 HG13 VAL A 548 66.428 -4.790 -17.921 1.00 0.00 H new ATOM 0 HG21 VAL A 548 68.005 -7.183 -16.849 1.00 0.00 H new ATOM 0 HG22 VAL A 548 68.382 -6.293 -18.343 1.00 0.00 H new ATOM 0 HG23 VAL A 548 69.630 -6.502 -17.092 1.00 0.00 H new ATOM 448 N MET A 549 68.793 -2.379 -15.273 1.00 0.00 N ATOM 449 CA MET A 549 68.301 -1.219 -14.534 1.00 0.00 C ATOM 450 C MET A 549 68.931 0.069 -15.050 1.00 0.00 C ATOM 451 O MET A 549 68.286 1.118 -15.034 1.00 0.00 O ATOM 452 CB MET A 549 68.563 -1.367 -13.030 1.00 0.00 C ATOM 453 CG MET A 549 67.366 -2.060 -12.376 1.00 0.00 C ATOM 454 SD MET A 549 67.520 -1.976 -10.576 1.00 0.00 S ATOM 455 CE MET A 549 65.753 -1.813 -10.212 1.00 0.00 C ATOM 0 H MET A 549 69.387 -3.011 -14.737 1.00 0.00 H new ATOM 0 HA MET A 549 67.224 -1.166 -14.693 1.00 0.00 H new ATOM 0 HB2 MET A 549 69.470 -1.947 -12.862 1.00 0.00 H new ATOM 0 HB3 MET A 549 68.723 -0.388 -12.579 1.00 0.00 H new ATOM 0 HG2 MET A 549 66.439 -1.583 -12.694 1.00 0.00 H new ATOM 0 HG3 MET A 549 67.315 -3.100 -12.698 1.00 0.00 H new ATOM 0 HE1 MET A 549 65.624 -1.429 -9.200 1.00 0.00 H new ATOM 0 HE2 MET A 549 65.297 -1.123 -10.923 1.00 0.00 H new ATOM 0 HE3 MET A 549 65.273 -2.788 -10.294 1.00 0.00 H new ATOM 465 N GLN A 550 70.176 -0.001 -15.527 1.00 0.00 N ATOM 466 CA GLN A 550 70.827 1.178 -16.104 1.00 0.00 C ATOM 467 C GLN A 550 70.025 1.707 -17.292 1.00 0.00 C ATOM 468 O GLN A 550 69.781 2.908 -17.402 1.00 0.00 O ATOM 469 CB GLN A 550 72.245 0.823 -16.560 1.00 0.00 C ATOM 470 CG GLN A 550 73.029 2.108 -16.849 1.00 0.00 C ATOM 471 CD GLN A 550 74.469 1.778 -17.240 1.00 0.00 C ATOM 472 OE1 GLN A 550 74.973 0.698 -16.927 1.00 0.00 O ATOM 473 NE2 GLN A 550 75.167 2.653 -17.910 1.00 0.00 N ATOM 0 H GLN A 550 70.746 -0.847 -15.526 1.00 0.00 H new ATOM 0 HA GLN A 550 70.875 1.953 -15.339 1.00 0.00 H new ATOM 0 HB2 GLN A 550 72.751 0.242 -15.789 1.00 0.00 H new ATOM 0 HB3 GLN A 550 72.205 0.200 -17.454 1.00 0.00 H new ATOM 0 HG2 GLN A 550 72.546 2.663 -17.653 1.00 0.00 H new ATOM 0 HG3 GLN A 550 73.023 2.751 -15.969 1.00 0.00 H new ATOM 0 HE21 GLN A 550 74.750 3.547 -18.169 1.00 0.00 H new ATOM 0 HE22 GLN A 550 76.129 2.443 -18.175 1.00 0.00 H new ATOM 482 N SER A 551 69.590 0.791 -18.160 1.00 0.00 N ATOM 483 CA SER A 551 68.787 1.163 -19.327 1.00 0.00 C ATOM 484 C SER A 551 67.483 1.852 -18.918 1.00 0.00 C ATOM 485 O SER A 551 67.157 2.918 -19.440 1.00 0.00 O ATOM 486 CB SER A 551 68.472 -0.077 -20.165 1.00 0.00 C ATOM 487 OG SER A 551 69.684 -0.738 -20.500 1.00 0.00 O ATOM 0 H SER A 551 69.779 -0.208 -18.078 1.00 0.00 H new ATOM 0 HA SER A 551 69.371 1.868 -19.919 1.00 0.00 H new ATOM 0 HB2 SER A 551 67.819 -0.750 -19.609 1.00 0.00 H new ATOM 0 HB3 SER A 551 67.938 0.209 -21.071 1.00 0.00 H new ATOM 0 HG SER A 551 69.996 -1.259 -19.731 1.00 0.00 H new ATOM 493 N ILE A 552 66.757 1.269 -17.960 1.00 0.00 N ATOM 494 CA ILE A 552 65.459 1.821 -17.549 1.00 0.00 C ATOM 495 C ILE A 552 65.630 3.230 -16.974 1.00 0.00 C ATOM 496 O ILE A 552 64.911 4.153 -17.351 1.00 0.00 O ATOM 497 CB ILE A 552 64.788 0.911 -16.498 1.00 0.00 C ATOM 498 CG1 ILE A 552 64.714 -0.530 -17.034 1.00 0.00 C ATOM 499 CG2 ILE A 552 63.363 1.421 -16.186 1.00 0.00 C ATOM 500 CD1 ILE A 552 64.222 -1.469 -15.928 1.00 0.00 C ATOM 0 H ILE A 552 67.039 0.426 -17.459 1.00 0.00 H new ATOM 0 HA ILE A 552 64.822 1.872 -18.432 1.00 0.00 H new ATOM 0 HB ILE A 552 65.380 0.929 -15.583 1.00 0.00 H new ATOM 0 HG12 ILE A 552 64.040 -0.576 -17.889 1.00 0.00 H new ATOM 0 HG13 ILE A 552 65.696 -0.849 -17.384 1.00 0.00 H new ATOM 0 HG21 ILE A 552 62.899 0.772 -15.444 1.00 0.00 H new ATOM 0 HG22 ILE A 552 63.418 2.437 -15.796 1.00 0.00 H new ATOM 0 HG23 ILE A 552 62.766 1.414 -17.098 1.00 0.00 H new ATOM 0 HD11 ILE A 552 64.171 -2.488 -16.312 1.00 0.00 H new ATOM 0 HD12 ILE A 552 64.913 -1.433 -15.086 1.00 0.00 H new ATOM 0 HD13 ILE A 552 63.231 -1.156 -15.599 1.00 0.00 H new ATOM 512 N LEU A 553 66.603 3.388 -16.078 1.00 0.00 N ATOM 513 CA LEU A 553 66.832 4.674 -15.412 1.00 0.00 C ATOM 514 C LEU A 553 67.121 5.783 -16.425 1.00 0.00 C ATOM 515 O LEU A 553 66.446 6.814 -16.436 1.00 0.00 O ATOM 516 CB LEU A 553 68.003 4.558 -14.434 1.00 0.00 C ATOM 517 CG LEU A 553 67.635 3.600 -13.298 1.00 0.00 C ATOM 518 CD1 LEU A 553 68.881 3.292 -12.466 1.00 0.00 C ATOM 519 CD2 LEU A 553 66.578 4.250 -12.401 1.00 0.00 C ATOM 0 H LEU A 553 67.244 2.647 -15.796 1.00 0.00 H new ATOM 0 HA LEU A 553 65.923 4.933 -14.869 1.00 0.00 H new ATOM 0 HB2 LEU A 553 68.890 4.196 -14.955 1.00 0.00 H new ATOM 0 HB3 LEU A 553 68.250 5.540 -14.029 1.00 0.00 H new ATOM 0 HG LEU A 553 67.238 2.677 -13.720 1.00 0.00 H new ATOM 0 HD11 LEU A 553 68.619 2.610 -11.657 1.00 0.00 H new ATOM 0 HD12 LEU A 553 69.637 2.829 -13.100 1.00 0.00 H new ATOM 0 HD13 LEU A 553 69.276 4.217 -12.047 1.00 0.00 H new ATOM 0 HD21 LEU A 553 66.317 3.567 -11.593 1.00 0.00 H new ATOM 0 HD22 LEU A 553 66.975 5.174 -11.981 1.00 0.00 H new ATOM 0 HD23 LEU A 553 65.688 4.472 -12.990 1.00 0.00 H new ATOM 531 N GLN A 554 68.092 5.545 -17.308 1.00 0.00 N ATOM 532 CA GLN A 554 68.466 6.544 -18.312 1.00 0.00 C ATOM 533 C GLN A 554 67.252 6.953 -19.148 1.00 0.00 C ATOM 534 O GLN A 554 66.904 8.132 -19.215 1.00 0.00 O ATOM 535 CB GLN A 554 69.554 5.982 -19.232 1.00 0.00 C ATOM 536 CG GLN A 554 70.167 7.116 -20.059 1.00 0.00 C ATOM 537 CD GLN A 554 71.254 6.567 -20.980 1.00 0.00 C ATOM 538 OE1 GLN A 554 71.939 5.605 -20.632 1.00 0.00 O ATOM 539 NE2 GLN A 554 71.453 7.126 -22.142 1.00 0.00 N ATOM 0 H GLN A 554 68.629 4.679 -17.349 1.00 0.00 H new ATOM 0 HA GLN A 554 68.847 7.423 -17.792 1.00 0.00 H new ATOM 0 HB2 GLN A 554 70.327 5.492 -18.640 1.00 0.00 H new ATOM 0 HB3 GLN A 554 69.130 5.225 -19.892 1.00 0.00 H new ATOM 0 HG2 GLN A 554 69.392 7.605 -20.650 1.00 0.00 H new ATOM 0 HG3 GLN A 554 70.589 7.872 -19.397 1.00 0.00 H new ATOM 0 HE21 GLN A 554 70.885 7.923 -22.429 1.00 0.00 H new ATOM 0 HE22 GLN A 554 72.177 6.766 -22.764 1.00 0.00 H new ATOM 548 N GLN A 555 66.529 5.958 -19.659 1.00 0.00 N ATOM 549 CA GLN A 555 65.391 6.216 -20.541 1.00 0.00 C ATOM 550 C GLN A 555 64.327 7.061 -19.839 1.00 0.00 C ATOM 551 O GLN A 555 63.733 7.951 -20.449 1.00 0.00 O ATOM 552 CB GLN A 555 64.773 4.889 -20.990 1.00 0.00 C ATOM 553 CG GLN A 555 65.735 4.175 -21.941 1.00 0.00 C ATOM 554 CD GLN A 555 65.122 2.861 -22.414 1.00 0.00 C ATOM 555 OE1 GLN A 555 65.262 1.834 -21.750 1.00 0.00 O ATOM 556 NE2 GLN A 555 64.447 2.832 -23.532 1.00 0.00 N ATOM 0 H GLN A 555 66.709 4.970 -19.479 1.00 0.00 H new ATOM 0 HA GLN A 555 65.753 6.769 -21.408 1.00 0.00 H new ATOM 0 HB2 GLN A 555 64.567 4.260 -20.124 1.00 0.00 H new ATOM 0 HB3 GLN A 555 63.820 5.069 -21.487 1.00 0.00 H new ATOM 0 HG2 GLN A 555 65.953 4.813 -22.797 1.00 0.00 H new ATOM 0 HG3 GLN A 555 66.682 3.983 -21.437 1.00 0.00 H new ATOM 0 HE21 GLN A 555 64.332 3.684 -24.081 1.00 0.00 H new ATOM 0 HE22 GLN A 555 64.035 1.957 -23.856 1.00 0.00 H new ATOM 565 N ALA A 556 64.090 6.773 -18.560 1.00 0.00 N ATOM 566 CA ALA A 556 63.079 7.496 -17.788 1.00 0.00 C ATOM 567 C ALA A 556 63.439 8.971 -17.637 1.00 0.00 C ATOM 568 O ALA A 556 62.552 9.828 -17.610 1.00 0.00 O ATOM 569 CB ALA A 556 62.927 6.866 -16.401 1.00 0.00 C ATOM 0 H ALA A 556 64.581 6.048 -18.038 1.00 0.00 H new ATOM 0 HA ALA A 556 62.137 7.426 -18.331 1.00 0.00 H new ATOM 0 HB1 ALA A 556 62.172 7.411 -15.834 1.00 0.00 H new ATOM 0 HB2 ALA A 556 62.620 5.825 -16.506 1.00 0.00 H new ATOM 0 HB3 ALA A 556 63.880 6.912 -15.874 1.00 0.00 H new ATOM 575 N GLN A 557 64.736 9.270 -17.541 1.00 0.00 N ATOM 576 CA GLN A 557 65.182 10.654 -17.383 1.00 0.00 C ATOM 577 C GLN A 557 64.873 11.454 -18.644 1.00 0.00 C ATOM 578 O GLN A 557 64.370 12.576 -18.576 1.00 0.00 O ATOM 579 CB GLN A 557 66.689 10.689 -17.116 1.00 0.00 C ATOM 580 CG GLN A 557 66.988 10.010 -15.777 1.00 0.00 C ATOM 581 CD GLN A 557 68.495 9.933 -15.548 1.00 0.00 C ATOM 582 OE1 GLN A 557 69.268 9.836 -16.503 1.00 0.00 O ATOM 583 NE2 GLN A 557 68.962 9.968 -14.330 1.00 0.00 N ATOM 0 H GLN A 557 65.488 8.581 -17.570 1.00 0.00 H new ATOM 0 HA GLN A 557 64.653 11.097 -16.539 1.00 0.00 H new ATOM 0 HB2 GLN A 557 67.223 10.182 -17.920 1.00 0.00 H new ATOM 0 HB3 GLN A 557 67.042 11.720 -17.099 1.00 0.00 H new ATOM 0 HG2 GLN A 557 66.518 10.566 -14.966 1.00 0.00 H new ATOM 0 HG3 GLN A 557 66.560 9.008 -15.766 1.00 0.00 H new ATOM 0 HE21 GLN A 557 68.321 10.048 -13.540 1.00 0.00 H new ATOM 0 HE22 GLN A 557 69.968 9.915 -14.168 1.00 0.00 H new ATOM 592 N GLN A 558 65.182 10.858 -19.795 1.00 0.00 N ATOM 593 CA GLN A 558 64.844 11.461 -21.082 1.00 0.00 C ATOM 594 C GLN A 558 63.341 11.362 -21.359 1.00 0.00 C ATOM 595 O GLN A 558 62.788 12.181 -22.095 1.00 0.00 O ATOM 596 CB GLN A 558 65.615 10.762 -22.204 1.00 0.00 C ATOM 597 CG GLN A 558 67.115 11.004 -22.020 1.00 0.00 C ATOM 598 CD GLN A 558 67.899 10.290 -23.117 1.00 0.00 C ATOM 599 OE1 GLN A 558 67.510 9.208 -23.558 1.00 0.00 O ATOM 600 NE2 GLN A 558 68.987 10.836 -23.587 1.00 0.00 N ATOM 0 H GLN A 558 65.664 9.962 -19.862 1.00 0.00 H new ATOM 0 HA GLN A 558 65.122 12.514 -21.045 1.00 0.00 H new ATOM 0 HB2 GLN A 558 65.404 9.693 -22.193 1.00 0.00 H new ATOM 0 HB3 GLN A 558 65.291 11.141 -23.173 1.00 0.00 H new ATOM 0 HG2 GLN A 558 67.325 12.073 -22.049 1.00 0.00 H new ATOM 0 HG3 GLN A 558 67.432 10.643 -21.042 1.00 0.00 H new ATOM 0 HE21 GLN A 558 69.307 11.732 -23.220 1.00 0.00 H new ATOM 0 HE22 GLN A 558 69.517 10.367 -24.321 1.00 0.00 H new ATOM 609 N ASN A 559 62.685 10.360 -20.767 1.00 0.00 N ATOM 610 CA ASN A 559 61.268 10.120 -21.022 1.00 0.00 C ATOM 611 C ASN A 559 60.671 9.236 -19.918 1.00 0.00 C ATOM 612 O ASN A 559 60.717 8.007 -20.013 1.00 0.00 O ATOM 613 CB ASN A 559 61.098 9.435 -22.378 1.00 0.00 C ATOM 614 CG ASN A 559 59.708 9.716 -22.938 1.00 0.00 C ATOM 615 OD1 ASN A 559 58.731 9.097 -22.516 1.00 0.00 O ATOM 616 ND2 ASN A 559 59.559 10.618 -23.870 1.00 0.00 N ATOM 0 H ASN A 559 63.113 9.706 -20.111 1.00 0.00 H new ATOM 0 HA ASN A 559 60.744 11.076 -21.030 1.00 0.00 H new ATOM 0 HB2 ASN A 559 61.857 9.794 -23.073 1.00 0.00 H new ATOM 0 HB3 ASN A 559 61.245 8.360 -22.272 1.00 0.00 H new ATOM 0 HD21 ASN A 559 58.632 10.811 -24.250 1.00 0.00 H new ATOM 0 HD22 ASN A 559 60.369 11.130 -24.218 1.00 0.00 H new ATOM 623 N PRO A 560 60.117 9.828 -18.876 1.00 0.00 N ATOM 624 CA PRO A 560 59.731 9.063 -17.644 1.00 0.00 C ATOM 625 C PRO A 560 58.751 7.921 -17.934 1.00 0.00 C ATOM 626 O PRO A 560 58.651 6.972 -17.154 1.00 0.00 O ATOM 627 CB PRO A 560 59.088 10.117 -16.728 1.00 0.00 C ATOM 628 CG PRO A 560 58.714 11.250 -17.620 1.00 0.00 C ATOM 629 CD PRO A 560 59.724 11.245 -18.762 1.00 0.00 C ATOM 0 HA PRO A 560 60.597 8.576 -17.196 1.00 0.00 H new ATOM 0 HB2 PRO A 560 58.212 9.713 -16.220 1.00 0.00 H new ATOM 0 HB3 PRO A 560 59.784 10.441 -15.954 1.00 0.00 H new ATOM 0 HG2 PRO A 560 57.699 11.129 -17.998 1.00 0.00 H new ATOM 0 HG3 PRO A 560 58.742 12.196 -17.080 1.00 0.00 H new ATOM 0 HD2 PRO A 560 59.283 11.614 -19.688 1.00 0.00 H new ATOM 0 HD3 PRO A 560 60.581 11.882 -18.541 1.00 0.00 H new ATOM 637 N ALA A 561 58.036 8.016 -19.056 1.00 0.00 N ATOM 638 CA ALA A 561 57.066 6.986 -19.428 1.00 0.00 C ATOM 639 C ALA A 561 57.757 5.648 -19.705 1.00 0.00 C ATOM 640 O ALA A 561 57.166 4.585 -19.507 1.00 0.00 O ATOM 641 CB ALA A 561 56.279 7.424 -20.665 1.00 0.00 C ATOM 0 H ALA A 561 58.109 8.789 -19.718 1.00 0.00 H new ATOM 0 HA ALA A 561 56.382 6.853 -18.590 1.00 0.00 H new ATOM 0 HB1 ALA A 561 55.560 6.649 -20.932 1.00 0.00 H new ATOM 0 HB2 ALA A 561 55.749 8.352 -20.449 1.00 0.00 H new ATOM 0 HB3 ALA A 561 56.966 7.583 -21.496 1.00 0.00 H new ATOM 647 N ALA A 562 59.013 5.702 -20.156 1.00 0.00 N ATOM 648 CA ALA A 562 59.778 4.483 -20.436 1.00 0.00 C ATOM 649 C ALA A 562 59.852 3.570 -19.209 1.00 0.00 C ATOM 650 O ALA A 562 59.800 2.344 -19.335 1.00 0.00 O ATOM 651 CB ALA A 562 61.197 4.848 -20.880 1.00 0.00 C ATOM 0 H ALA A 562 59.519 6.569 -20.334 1.00 0.00 H new ATOM 0 HA ALA A 562 59.264 3.946 -21.233 1.00 0.00 H new ATOM 0 HB1 ALA A 562 61.759 3.937 -21.086 1.00 0.00 H new ATOM 0 HB2 ALA A 562 61.150 5.458 -21.782 1.00 0.00 H new ATOM 0 HB3 ALA A 562 61.693 5.409 -20.088 1.00 0.00 H new ATOM 657 N LEU A 563 59.927 4.166 -18.020 1.00 0.00 N ATOM 658 CA LEU A 563 60.064 3.375 -16.800 1.00 0.00 C ATOM 659 C LEU A 563 58.764 2.599 -16.540 1.00 0.00 C ATOM 660 O LEU A 563 58.785 1.446 -16.107 1.00 0.00 O ATOM 661 CB LEU A 563 60.474 4.310 -15.624 1.00 0.00 C ATOM 662 CG LEU A 563 59.281 4.910 -14.848 1.00 0.00 C ATOM 663 CD1 LEU A 563 58.565 3.828 -14.018 1.00 0.00 C ATOM 664 CD2 LEU A 563 59.802 6.012 -13.918 1.00 0.00 C ATOM 0 H LEU A 563 59.896 5.175 -17.877 1.00 0.00 H new ATOM 0 HA LEU A 563 60.854 2.631 -16.904 1.00 0.00 H new ATOM 0 HB2 LEU A 563 61.100 3.749 -14.930 1.00 0.00 H new ATOM 0 HB3 LEU A 563 61.084 5.124 -16.017 1.00 0.00 H new ATOM 0 HG LEU A 563 58.565 5.322 -15.559 1.00 0.00 H new ATOM 0 HD11 LEU A 563 57.729 4.276 -13.481 1.00 0.00 H new ATOM 0 HD12 LEU A 563 58.194 3.047 -14.681 1.00 0.00 H new ATOM 0 HD13 LEU A 563 59.265 3.395 -13.304 1.00 0.00 H new ATOM 0 HD21 LEU A 563 58.969 6.444 -13.364 1.00 0.00 H new ATOM 0 HD22 LEU A 563 60.522 5.587 -13.218 1.00 0.00 H new ATOM 0 HD23 LEU A 563 60.286 6.789 -14.510 1.00 0.00 H new ATOM 676 N GLN A 564 57.632 3.244 -16.838 1.00 0.00 N ATOM 677 CA GLN A 564 56.323 2.611 -16.663 1.00 0.00 C ATOM 678 C GLN A 564 56.202 1.356 -17.526 1.00 0.00 C ATOM 679 O GLN A 564 55.995 0.259 -17.008 1.00 0.00 O ATOM 680 CB GLN A 564 55.212 3.594 -17.037 1.00 0.00 C ATOM 681 CG GLN A 564 55.242 4.787 -16.078 1.00 0.00 C ATOM 682 CD GLN A 564 54.099 5.746 -16.401 1.00 0.00 C ATOM 683 OE1 GLN A 564 53.006 5.312 -16.764 1.00 0.00 O ATOM 684 NE2 GLN A 564 54.289 7.032 -16.288 1.00 0.00 N ATOM 0 H GLN A 564 57.596 4.197 -17.199 1.00 0.00 H new ATOM 0 HA GLN A 564 56.223 2.325 -15.616 1.00 0.00 H new ATOM 0 HB2 GLN A 564 55.344 3.936 -18.064 1.00 0.00 H new ATOM 0 HB3 GLN A 564 54.242 3.099 -16.988 1.00 0.00 H new ATOM 0 HG2 GLN A 564 55.156 4.439 -15.049 1.00 0.00 H new ATOM 0 HG3 GLN A 564 56.197 5.306 -16.160 1.00 0.00 H new ATOM 0 HE21 GLN A 564 55.196 7.389 -15.987 1.00 0.00 H new ATOM 0 HE22 GLN A 564 53.531 7.680 -16.501 1.00 0.00 H new ATOM 693 N GLU A 565 56.469 1.499 -18.826 1.00 0.00 N ATOM 694 CA GLU A 565 56.344 0.372 -19.757 1.00 0.00 C ATOM 695 C GLU A 565 57.284 -0.777 -19.371 1.00 0.00 C ATOM 696 O GLU A 565 57.006 -1.939 -19.668 1.00 0.00 O ATOM 697 CB GLU A 565 56.633 0.829 -21.191 1.00 0.00 C ATOM 698 CG GLU A 565 58.035 1.437 -21.280 1.00 0.00 C ATOM 699 CD GLU A 565 58.427 1.631 -22.741 1.00 0.00 C ATOM 700 OE1 GLU A 565 58.147 2.691 -23.275 1.00 0.00 O ATOM 701 OE2 GLU A 565 59.004 0.714 -23.305 1.00 0.00 O ATOM 0 H GLU A 565 56.770 2.374 -19.256 1.00 0.00 H new ATOM 0 HA GLU A 565 55.319 0.005 -19.700 1.00 0.00 H new ATOM 0 HB2 GLU A 565 56.552 -0.017 -21.873 1.00 0.00 H new ATOM 0 HB3 GLU A 565 55.890 1.563 -21.503 1.00 0.00 H new ATOM 0 HG2 GLU A 565 58.059 2.394 -20.758 1.00 0.00 H new ATOM 0 HG3 GLU A 565 58.755 0.785 -20.785 1.00 0.00 H new ATOM 708 N HIS A 566 58.397 -0.439 -18.719 1.00 0.00 N ATOM 709 CA HIS A 566 59.319 -1.456 -18.211 1.00 0.00 C ATOM 710 C HIS A 566 58.642 -2.323 -17.150 1.00 0.00 C ATOM 711 O HIS A 566 58.758 -3.548 -17.178 1.00 0.00 O ATOM 712 CB HIS A 566 60.569 -0.799 -17.623 1.00 0.00 C ATOM 713 CG HIS A 566 61.613 -0.487 -18.661 1.00 0.00 C ATOM 714 ND1 HIS A 566 62.148 0.782 -18.816 1.00 0.00 N ATOM 715 CD2 HIS A 566 62.218 -1.267 -19.615 1.00 0.00 C ATOM 716 CE1 HIS A 566 63.034 0.728 -19.827 1.00 0.00 C ATOM 717 NE2 HIS A 566 63.115 -0.498 -20.350 1.00 0.00 N ATOM 0 H HIS A 566 58.681 0.523 -18.531 1.00 0.00 H new ATOM 0 HA HIS A 566 59.611 -2.092 -19.047 1.00 0.00 H new ATOM 0 HB2 HIS A 566 60.284 0.122 -17.114 1.00 0.00 H new ATOM 0 HB3 HIS A 566 60.999 -1.459 -16.870 1.00 0.00 H new ATOM 0 HD2 HIS A 566 62.027 -2.318 -19.771 1.00 0.00 H new ATOM 0 HE1 HIS A 566 63.610 1.573 -20.173 1.00 0.00 H new ATOM 0 HE2 HIS A 566 63.707 -0.805 -21.122 1.00 0.00 H new ATOM 725 N MET A 567 57.901 -1.691 -16.240 1.00 0.00 N ATOM 726 CA MET A 567 57.163 -2.435 -15.219 1.00 0.00 C ATOM 727 C MET A 567 56.109 -3.333 -15.869 1.00 0.00 C ATOM 728 O MET A 567 55.868 -4.449 -15.413 1.00 0.00 O ATOM 729 CB MET A 567 56.484 -1.463 -14.249 1.00 0.00 C ATOM 730 CG MET A 567 55.980 -2.227 -13.023 1.00 0.00 C ATOM 731 SD MET A 567 55.040 -1.108 -11.955 1.00 0.00 S ATOM 732 CE MET A 567 56.429 -0.069 -11.438 1.00 0.00 C ATOM 0 H MET A 567 57.796 -0.678 -16.188 1.00 0.00 H new ATOM 0 HA MET A 567 57.868 -3.059 -14.669 1.00 0.00 H new ATOM 0 HB2 MET A 567 57.187 -0.688 -13.943 1.00 0.00 H new ATOM 0 HB3 MET A 567 55.653 -0.961 -14.744 1.00 0.00 H new ATOM 0 HG2 MET A 567 55.352 -3.062 -13.335 1.00 0.00 H new ATOM 0 HG3 MET A 567 56.821 -2.649 -12.474 1.00 0.00 H new ATOM 0 HE1 MET A 567 56.195 0.404 -10.484 1.00 0.00 H new ATOM 0 HE2 MET A 567 57.322 -0.684 -11.328 1.00 0.00 H new ATOM 0 HE3 MET A 567 56.608 0.700 -12.190 1.00 0.00 H new ATOM 742 N LYS A 568 55.498 -2.842 -16.947 1.00 0.00 N ATOM 743 CA LYS A 568 54.507 -3.627 -17.683 1.00 0.00 C ATOM 744 C LYS A 568 55.183 -4.726 -18.502 1.00 0.00 C ATOM 745 O LYS A 568 54.636 -5.820 -18.654 1.00 0.00 O ATOM 746 CB LYS A 568 53.703 -2.715 -18.613 1.00 0.00 C ATOM 747 CG LYS A 568 52.894 -1.719 -17.780 1.00 0.00 C ATOM 748 CD LYS A 568 52.003 -0.886 -18.703 1.00 0.00 C ATOM 749 CE LYS A 568 51.275 0.181 -17.884 1.00 0.00 C ATOM 750 NZ LYS A 568 50.727 1.221 -18.798 1.00 0.00 N ATOM 0 H LYS A 568 55.670 -1.912 -17.328 1.00 0.00 H new ATOM 0 HA LYS A 568 53.837 -4.093 -16.961 1.00 0.00 H new ATOM 0 HB2 LYS A 568 54.375 -2.181 -19.286 1.00 0.00 H new ATOM 0 HB3 LYS A 568 53.036 -3.311 -19.236 1.00 0.00 H new ATOM 0 HG2 LYS A 568 52.283 -2.251 -17.050 1.00 0.00 H new ATOM 0 HG3 LYS A 568 53.565 -1.068 -17.220 1.00 0.00 H new ATOM 0 HD2 LYS A 568 52.606 -0.415 -19.480 1.00 0.00 H new ATOM 0 HD3 LYS A 568 51.281 -1.529 -19.206 1.00 0.00 H new ATOM 0 HE2 LYS A 568 50.469 -0.274 -17.309 1.00 0.00 H new ATOM 0 HE3 LYS A 568 51.960 0.635 -17.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 50.232 1.947 -18.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 51.505 1.662 -19.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 50.060 0.781 -19.464 1.00 0.00 H new ATOM 764 N ASN A 569 56.374 -4.429 -19.027 1.00 0.00 N ATOM 765 CA ASN A 569 57.123 -5.396 -19.838 1.00 0.00 C ATOM 766 C ASN A 569 57.432 -6.662 -19.024 1.00 0.00 C ATOM 767 O ASN A 569 57.848 -6.563 -17.873 1.00 0.00 O ATOM 768 CB ASN A 569 58.434 -4.757 -20.317 1.00 0.00 C ATOM 769 CG ASN A 569 58.855 -5.344 -21.660 1.00 0.00 C ATOM 770 OD1 ASN A 569 58.038 -5.454 -22.574 1.00 0.00 O ATOM 771 ND2 ASN A 569 60.089 -5.730 -21.835 1.00 0.00 N ATOM 0 H ASN A 569 56.841 -3.530 -18.907 1.00 0.00 H new ATOM 0 HA ASN A 569 56.515 -5.676 -20.698 1.00 0.00 H new ATOM 0 HB2 ASN A 569 58.307 -3.678 -20.409 1.00 0.00 H new ATOM 0 HB3 ASN A 569 59.218 -4.924 -19.579 1.00 0.00 H new ATOM 0 HD21 ASN A 569 60.378 -6.124 -22.730 1.00 0.00 H new ATOM 0 HD22 ASN A 569 60.765 -5.638 -21.076 1.00 0.00 H new ATOM 778 N PRO A 570 57.240 -7.838 -19.592 1.00 0.00 N ATOM 779 CA PRO A 570 57.272 -9.108 -18.795 1.00 0.00 C ATOM 780 C PRO A 570 58.635 -9.367 -18.147 1.00 0.00 C ATOM 781 O PRO A 570 58.716 -9.642 -16.949 1.00 0.00 O ATOM 782 CB PRO A 570 56.929 -10.204 -19.812 1.00 0.00 C ATOM 783 CG PRO A 570 57.239 -9.620 -21.147 1.00 0.00 C ATOM 784 CD PRO A 570 57.012 -8.117 -21.024 1.00 0.00 C ATOM 0 HA PRO A 570 56.573 -9.068 -17.960 1.00 0.00 H new ATOM 0 HB2 PRO A 570 57.516 -11.104 -19.632 1.00 0.00 H new ATOM 0 HB3 PRO A 570 55.879 -10.489 -19.743 1.00 0.00 H new ATOM 0 HG2 PRO A 570 58.268 -9.835 -21.435 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.597 -10.048 -21.917 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.702 -7.556 -21.655 1.00 0.00 H new ATOM 0 HD3 PRO A 570 56.003 -7.839 -21.329 1.00 0.00 H new ATOM 792 N GLU A 571 59.704 -9.228 -18.930 1.00 0.00 N ATOM 793 CA GLU A 571 61.043 -9.561 -18.442 1.00 0.00 C ATOM 794 C GLU A 571 61.476 -8.559 -17.375 1.00 0.00 C ATOM 795 O GLU A 571 61.953 -8.937 -16.300 1.00 0.00 O ATOM 796 CB GLU A 571 62.043 -9.552 -19.602 1.00 0.00 C ATOM 797 CG GLU A 571 63.368 -10.170 -19.145 1.00 0.00 C ATOM 798 CD GLU A 571 64.412 -10.050 -20.252 1.00 0.00 C ATOM 799 OE1 GLU A 571 64.474 -9.001 -20.872 1.00 0.00 O ATOM 800 OE2 GLU A 571 65.135 -11.010 -20.462 1.00 0.00 O ATOM 0 H GLU A 571 59.672 -8.892 -19.892 1.00 0.00 H new ATOM 0 HA GLU A 571 61.019 -10.558 -18.003 1.00 0.00 H new ATOM 0 HB2 GLU A 571 61.641 -10.113 -20.446 1.00 0.00 H new ATOM 0 HB3 GLU A 571 62.206 -8.531 -19.946 1.00 0.00 H new ATOM 0 HG2 GLU A 571 63.722 -9.667 -18.245 1.00 0.00 H new ATOM 0 HG3 GLU A 571 63.219 -11.218 -18.887 1.00 0.00 H new ATOM 807 N VAL A 572 61.227 -7.282 -17.643 1.00 0.00 N ATOM 808 CA VAL A 572 61.587 -6.232 -16.702 1.00 0.00 C ATOM 809 C VAL A 572 60.625 -6.250 -15.512 1.00 0.00 C ATOM 810 O VAL A 572 61.015 -5.941 -14.391 1.00 0.00 O ATOM 811 CB VAL A 572 61.564 -4.867 -17.403 1.00 0.00 C ATOM 812 CG1 VAL A 572 62.008 -3.766 -16.430 1.00 0.00 C ATOM 813 CG2 VAL A 572 62.521 -4.897 -18.600 1.00 0.00 C ATOM 0 H VAL A 572 60.780 -6.952 -18.499 1.00 0.00 H new ATOM 0 HA VAL A 572 62.597 -6.409 -16.333 1.00 0.00 H new ATOM 0 HB VAL A 572 60.549 -4.657 -17.741 1.00 0.00 H new ATOM 0 HG11 VAL A 572 61.988 -2.802 -16.938 1.00 0.00 H new ATOM 0 HG12 VAL A 572 61.331 -3.740 -15.576 1.00 0.00 H new ATOM 0 HG13 VAL A 572 63.021 -3.973 -16.084 1.00 0.00 H new ATOM 0 HG21 VAL A 572 62.508 -3.929 -19.101 1.00 0.00 H new ATOM 0 HG22 VAL A 572 63.532 -5.112 -18.253 1.00 0.00 H new ATOM 0 HG23 VAL A 572 62.205 -5.672 -19.299 1.00 0.00 H new ATOM 823 N PHE A 573 59.366 -6.624 -15.764 1.00 0.00 N ATOM 824 CA PHE A 573 58.364 -6.749 -14.697 1.00 0.00 C ATOM 825 C PHE A 573 58.873 -7.667 -13.580 1.00 0.00 C ATOM 826 O PHE A 573 58.791 -7.320 -12.402 1.00 0.00 O ATOM 827 CB PHE A 573 57.059 -7.309 -15.295 1.00 0.00 C ATOM 828 CG PHE A 573 56.012 -7.736 -14.282 1.00 0.00 C ATOM 829 CD1 PHE A 573 55.328 -6.769 -13.504 1.00 0.00 C ATOM 830 CD2 PHE A 573 55.706 -9.111 -14.128 1.00 0.00 C ATOM 831 CE1 PHE A 573 54.340 -7.177 -12.575 1.00 0.00 C ATOM 832 CE2 PHE A 573 54.719 -9.518 -13.197 1.00 0.00 C ATOM 833 CZ PHE A 573 54.036 -8.551 -12.421 1.00 0.00 C ATOM 0 H PHE A 573 59.016 -6.845 -16.696 1.00 0.00 H new ATOM 0 HA PHE A 573 58.177 -5.766 -14.265 1.00 0.00 H new ATOM 0 HB2 PHE A 573 56.623 -6.552 -15.946 1.00 0.00 H new ATOM 0 HB3 PHE A 573 57.305 -8.166 -15.922 1.00 0.00 H new ATOM 0 HD1 PHE A 573 55.560 -5.721 -13.620 1.00 0.00 H new ATOM 0 HD2 PHE A 573 56.226 -9.849 -14.721 1.00 0.00 H new ATOM 0 HE1 PHE A 573 53.818 -6.439 -11.984 1.00 0.00 H new ATOM 0 HE2 PHE A 573 54.488 -10.566 -13.079 1.00 0.00 H new ATOM 0 HZ PHE A 573 53.283 -8.861 -11.712 1.00 0.00 H new ATOM 843 N LYS A 574 59.447 -8.808 -13.962 1.00 0.00 N ATOM 844 CA LYS A 574 60.019 -9.737 -12.985 1.00 0.00 C ATOM 845 C LYS A 574 61.138 -9.067 -12.185 1.00 0.00 C ATOM 846 O LYS A 574 61.149 -9.118 -10.957 1.00 0.00 O ATOM 847 CB LYS A 574 60.578 -10.968 -13.703 1.00 0.00 C ATOM 848 CG LYS A 574 59.435 -11.726 -14.383 1.00 0.00 C ATOM 849 CD LYS A 574 59.947 -13.072 -14.900 1.00 0.00 C ATOM 850 CE LYS A 574 60.862 -12.845 -16.106 1.00 0.00 C ATOM 851 NZ LYS A 574 60.936 -14.094 -16.916 1.00 0.00 N ATOM 0 H LYS A 574 59.528 -9.110 -14.933 1.00 0.00 H new ATOM 0 HA LYS A 574 59.228 -10.037 -12.298 1.00 0.00 H new ATOM 0 HB2 LYS A 574 61.319 -10.665 -14.443 1.00 0.00 H new ATOM 0 HB3 LYS A 574 61.086 -11.618 -12.991 1.00 0.00 H new ATOM 0 HG2 LYS A 574 58.619 -11.883 -13.678 1.00 0.00 H new ATOM 0 HG3 LYS A 574 59.035 -11.137 -15.208 1.00 0.00 H new ATOM 0 HD2 LYS A 574 60.490 -13.593 -14.112 1.00 0.00 H new ATOM 0 HD3 LYS A 574 59.108 -13.708 -15.182 1.00 0.00 H new ATOM 0 HE2 LYS A 574 60.481 -12.026 -16.716 1.00 0.00 H new ATOM 0 HE3 LYS A 574 61.858 -12.557 -15.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 61.558 -13.940 -17.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 61.318 -14.865 -16.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 59.984 -14.350 -17.247 1.00 0.00 H new ATOM 865 N LYS A 575 62.039 -8.386 -12.892 1.00 0.00 N ATOM 866 CA LYS A 575 63.210 -7.777 -12.254 1.00 0.00 C ATOM 867 C LYS A 575 62.806 -6.652 -11.294 1.00 0.00 C ATOM 868 O LYS A 575 63.192 -6.653 -10.122 1.00 0.00 O ATOM 869 CB LYS A 575 64.151 -7.226 -13.325 1.00 0.00 C ATOM 870 CG LYS A 575 64.936 -8.379 -13.952 1.00 0.00 C ATOM 871 CD LYS A 575 65.854 -7.838 -15.048 1.00 0.00 C ATOM 872 CE LYS A 575 66.585 -9.001 -15.722 1.00 0.00 C ATOM 873 NZ LYS A 575 67.765 -9.391 -14.900 1.00 0.00 N ATOM 0 H LYS A 575 61.983 -8.242 -13.900 1.00 0.00 H new ATOM 0 HA LYS A 575 63.717 -8.548 -11.675 1.00 0.00 H new ATOM 0 HB2 LYS A 575 63.580 -6.701 -14.091 1.00 0.00 H new ATOM 0 HB3 LYS A 575 64.836 -6.501 -12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 575 65.525 -8.889 -13.189 1.00 0.00 H new ATOM 0 HG3 LYS A 575 64.249 -9.115 -14.369 1.00 0.00 H new ATOM 0 HD2 LYS A 575 65.271 -7.285 -15.785 1.00 0.00 H new ATOM 0 HD3 LYS A 575 66.574 -7.140 -14.622 1.00 0.00 H new ATOM 0 HE2 LYS A 575 65.911 -9.850 -15.836 1.00 0.00 H new ATOM 0 HE3 LYS A 575 66.905 -8.712 -16.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 68.262 -10.181 -15.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 68.411 -8.580 -14.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 67.448 -9.684 -13.954 1.00 0.00 H new ATOM 887 N ILE A 576 61.998 -5.715 -11.789 1.00 0.00 N ATOM 888 CA ILE A 576 61.556 -4.568 -10.985 1.00 0.00 C ATOM 889 C ILE A 576 60.855 -5.052 -9.704 1.00 0.00 C ATOM 890 O ILE A 576 61.166 -4.595 -8.600 1.00 0.00 O ATOM 891 CB ILE A 576 60.606 -3.686 -11.826 1.00 0.00 C ATOM 892 CG1 ILE A 576 61.344 -3.179 -13.086 1.00 0.00 C ATOM 893 CG2 ILE A 576 60.092 -2.497 -10.995 1.00 0.00 C ATOM 894 CD1 ILE A 576 62.362 -2.081 -12.740 1.00 0.00 C ATOM 0 H ILE A 576 61.634 -5.724 -12.742 1.00 0.00 H new ATOM 0 HA ILE A 576 62.424 -3.976 -10.693 1.00 0.00 H new ATOM 0 HB ILE A 576 59.748 -4.285 -12.130 1.00 0.00 H new ATOM 0 HG12 ILE A 576 61.856 -4.012 -13.569 1.00 0.00 H new ATOM 0 HG13 ILE A 576 60.619 -2.792 -13.802 1.00 0.00 H new ATOM 0 HG21 ILE A 576 59.425 -1.888 -11.605 1.00 0.00 H new ATOM 0 HG22 ILE A 576 59.551 -2.868 -10.125 1.00 0.00 H new ATOM 0 HG23 ILE A 576 60.936 -1.891 -10.666 1.00 0.00 H new ATOM 0 HD11 ILE A 576 62.862 -1.748 -13.650 1.00 0.00 H new ATOM 0 HD12 ILE A 576 61.846 -1.238 -12.281 1.00 0.00 H new ATOM 0 HD13 ILE A 576 63.101 -2.477 -12.044 1.00 0.00 H new ATOM 906 N GLN A 577 59.957 -6.027 -9.855 1.00 0.00 N ATOM 907 CA GLN A 577 59.218 -6.571 -8.712 1.00 0.00 C ATOM 908 C GLN A 577 60.162 -7.179 -7.673 1.00 0.00 C ATOM 909 O GLN A 577 59.992 -6.965 -6.475 1.00 0.00 O ATOM 910 CB GLN A 577 58.238 -7.646 -9.184 1.00 0.00 C ATOM 911 CG GLN A 577 57.034 -6.982 -9.851 1.00 0.00 C ATOM 912 CD GLN A 577 55.946 -8.019 -10.100 1.00 0.00 C ATOM 913 OE1 GLN A 577 56.211 -9.072 -10.681 1.00 0.00 O ATOM 914 NE2 GLN A 577 54.729 -7.784 -9.692 1.00 0.00 N ATOM 0 H GLN A 577 59.724 -6.455 -10.751 1.00 0.00 H new ATOM 0 HA GLN A 577 58.675 -5.747 -8.249 1.00 0.00 H new ATOM 0 HB2 GLN A 577 58.731 -8.319 -9.886 1.00 0.00 H new ATOM 0 HB3 GLN A 577 57.911 -8.251 -8.338 1.00 0.00 H new ATOM 0 HG2 GLN A 577 56.650 -6.183 -9.217 1.00 0.00 H new ATOM 0 HG3 GLN A 577 57.335 -6.524 -10.793 1.00 0.00 H new ATOM 0 HE21 GLN A 577 54.512 -6.911 -9.211 1.00 0.00 H new ATOM 0 HE22 GLN A 577 53.995 -8.473 -9.854 1.00 0.00 H new ATOM 923 N THR A 578 61.159 -7.933 -8.142 1.00 0.00 N ATOM 924 CA THR A 578 62.062 -8.657 -7.245 1.00 0.00 C ATOM 925 C THR A 578 62.730 -7.716 -6.241 1.00 0.00 C ATOM 926 O THR A 578 62.659 -7.945 -5.032 1.00 0.00 O ATOM 927 CB THR A 578 63.135 -9.391 -8.061 1.00 0.00 C ATOM 928 OG1 THR A 578 62.511 -10.141 -9.093 1.00 0.00 O ATOM 929 CG2 THR A 578 63.925 -10.340 -7.155 1.00 0.00 C ATOM 0 H THR A 578 61.361 -8.058 -9.134 1.00 0.00 H new ATOM 0 HA THR A 578 61.468 -9.380 -6.686 1.00 0.00 H new ATOM 0 HB THR A 578 63.816 -8.659 -8.495 1.00 0.00 H new ATOM 0 HG1 THR A 578 62.334 -9.557 -9.860 1.00 0.00 H new ATOM 0 HG21 THR A 578 64.684 -10.856 -7.743 1.00 0.00 H new ATOM 0 HG22 THR A 578 64.407 -9.769 -6.362 1.00 0.00 H new ATOM 0 HG23 THR A 578 63.247 -11.071 -6.715 1.00 0.00 H new ATOM 937 N LEU A 579 63.324 -6.632 -6.733 1.00 0.00 N ATOM 938 CA LEU A 579 64.074 -5.730 -5.853 1.00 0.00 C ATOM 939 C LEU A 579 63.150 -5.044 -4.847 1.00 0.00 C ATOM 940 O LEU A 579 63.522 -4.857 -3.686 1.00 0.00 O ATOM 941 CB LEU A 579 64.820 -4.663 -6.666 1.00 0.00 C ATOM 942 CG LEU A 579 65.721 -5.312 -7.735 1.00 0.00 C ATOM 943 CD1 LEU A 579 66.519 -4.222 -8.464 1.00 0.00 C ATOM 944 CD2 LEU A 579 66.702 -6.302 -7.086 1.00 0.00 C ATOM 0 H LEU A 579 63.304 -6.357 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 579 64.798 -6.338 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 579 64.102 -3.998 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.426 -4.050 -5.999 1.00 0.00 H new ATOM 0 HG LEU A 579 65.089 -5.849 -8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.156 -4.681 -9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 579 65.830 -3.526 -8.944 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.138 -3.683 -7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 579 67.330 -6.750 -7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.330 -5.774 -6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 579 66.143 -7.085 -6.573 1.00 0.00 H new ATOM 956 N ILE A 580 61.949 -4.674 -5.292 1.00 0.00 N ATOM 957 CA ILE A 580 61.000 -3.976 -4.421 1.00 0.00 C ATOM 958 C ILE A 580 60.505 -4.907 -3.306 1.00 0.00 C ATOM 959 O ILE A 580 60.550 -4.554 -2.127 1.00 0.00 O ATOM 960 CB ILE A 580 59.811 -3.461 -5.252 1.00 0.00 C ATOM 961 CG1 ILE A 580 60.334 -2.552 -6.374 1.00 0.00 C ATOM 962 CG2 ILE A 580 58.859 -2.656 -4.359 1.00 0.00 C ATOM 963 CD1 ILE A 580 59.203 -2.234 -7.356 1.00 0.00 C ATOM 0 H ILE A 580 61.612 -4.843 -6.240 1.00 0.00 H new ATOM 0 HA ILE A 580 61.506 -3.128 -3.959 1.00 0.00 H new ATOM 0 HB ILE A 580 59.277 -4.310 -5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 580 60.731 -1.629 -5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 580 61.155 -3.041 -6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 580 58.020 -2.295 -4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 580 58.487 -3.293 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 580 59.392 -1.807 -3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 580 59.581 -1.589 -8.149 1.00 0.00 H new ATOM 0 HD12 ILE A 580 58.827 -3.160 -7.790 1.00 0.00 H new ATOM 0 HD13 ILE A 580 58.395 -1.726 -6.829 1.00 0.00 H new ATOM 975 N ALA A 581 60.037 -6.094 -3.692 1.00 0.00 N ATOM 976 CA ALA A 581 59.526 -7.074 -2.731 1.00 0.00 C ATOM 977 C ALA A 581 60.608 -7.501 -1.735 1.00 0.00 C ATOM 978 O ALA A 581 60.307 -7.852 -0.593 1.00 0.00 O ATOM 979 CB ALA A 581 59.009 -8.309 -3.473 1.00 0.00 C ATOM 0 H ALA A 581 60.001 -6.401 -4.664 1.00 0.00 H new ATOM 0 HA ALA A 581 58.714 -6.603 -2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 581 58.630 -9.034 -2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 581 58.206 -8.017 -4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 581 59.822 -8.756 -4.045 1.00 0.00 H new ATOM 985 N ALA A 582 61.866 -7.467 -2.179 1.00 0.00 N ATOM 986 CA ALA A 582 62.988 -7.867 -1.330 1.00 0.00 C ATOM 987 C ALA A 582 63.362 -6.778 -0.313 1.00 0.00 C ATOM 988 O ALA A 582 64.284 -6.971 0.483 1.00 0.00 O ATOM 989 CB ALA A 582 64.205 -8.182 -2.202 1.00 0.00 C ATOM 0 H ALA A 582 62.132 -7.168 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 582 62.678 -8.752 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 582 65.040 -8.480 -1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 582 63.962 -8.995 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 582 64.482 -7.296 -2.774 1.00 0.00 H new ATOM 995 N GLY A 583 62.657 -5.639 -0.332 1.00 0.00 N ATOM 996 CA GLY A 583 62.967 -4.542 0.581 1.00 0.00 C ATOM 997 C GLY A 583 64.274 -3.850 0.198 1.00 0.00 C ATOM 998 O GLY A 583 64.955 -3.282 1.055 1.00 0.00 O ATOM 0 H GLY A 583 61.877 -5.458 -0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 583 62.153 -3.817 0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 583 63.041 -4.924 1.599 1.00 0.00 H new ATOM 1002 N ILE A 584 64.620 -3.899 -1.089 1.00 0.00 N ATOM 1003 CA ILE A 584 65.854 -3.279 -1.569 1.00 0.00 C ATOM 1004 C ILE A 584 65.596 -1.840 -2.016 1.00 0.00 C ATOM 1005 O ILE A 584 66.476 -0.983 -1.908 1.00 0.00 O ATOM 1006 CB ILE A 584 66.440 -4.075 -2.745 1.00 0.00 C ATOM 1007 CG1 ILE A 584 66.450 -5.575 -2.411 1.00 0.00 C ATOM 1008 CG2 ILE A 584 67.877 -3.604 -2.999 1.00 0.00 C ATOM 1009 CD1 ILE A 584 66.863 -6.388 -3.643 1.00 0.00 C ATOM 0 H ILE A 584 64.067 -4.358 -1.813 1.00 0.00 H new ATOM 0 HA ILE A 584 66.567 -3.278 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 584 65.829 -3.911 -3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 584 67.141 -5.768 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 584 65.461 -5.887 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 584 68.301 -4.164 -3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 584 67.874 -2.541 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 584 68.478 -3.772 -2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 584 66.866 -7.449 -3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 584 66.155 -6.207 -4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 584 67.861 -6.086 -3.960 1.00 0.00 H new ATOM 1021 N ILE A 585 64.386 -1.580 -2.517 1.00 0.00 N ATOM 1022 CA ILE A 585 64.039 -0.258 -3.034 1.00 0.00 C ATOM 1023 C ILE A 585 62.784 0.257 -2.333 1.00 0.00 C ATOM 1024 O ILE A 585 61.829 -0.492 -2.125 1.00 0.00 O ATOM 1025 CB ILE A 585 63.797 -0.331 -4.548 1.00 0.00 C ATOM 1026 CG1 ILE A 585 65.012 -0.964 -5.237 1.00 0.00 C ATOM 1027 CG2 ILE A 585 63.582 1.078 -5.111 1.00 0.00 C ATOM 1028 CD1 ILE A 585 64.676 -1.266 -6.701 1.00 0.00 C ATOM 0 H ILE A 585 63.634 -2.266 -2.575 1.00 0.00 H new ATOM 0 HA ILE A 585 64.865 0.427 -2.841 1.00 0.00 H new ATOM 0 HB ILE A 585 62.911 -0.938 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 585 65.866 -0.289 -5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 585 65.297 -1.882 -4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 585 63.411 1.018 -6.186 1.00 0.00 H new ATOM 0 HG22 ILE A 585 62.716 1.534 -4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 585 64.466 1.686 -4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 585 65.541 -1.716 -7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 585 63.834 -1.957 -6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 585 64.413 -0.340 -7.212 1.00 0.00 H new ATOM 1040 N ARG A 586 62.794 1.540 -1.972 1.00 0.00 N ATOM 1041 CA ARG A 586 61.659 2.144 -1.279 1.00 0.00 C ATOM 1042 C ARG A 586 60.793 2.939 -2.254 1.00 0.00 C ATOM 1043 O ARG A 586 61.295 3.789 -2.989 1.00 0.00 O ATOM 1044 CB ARG A 586 62.161 3.071 -0.171 1.00 0.00 C ATOM 1045 CG ARG A 586 62.899 2.249 0.887 1.00 0.00 C ATOM 1046 CD ARG A 586 63.337 3.164 2.032 1.00 0.00 C ATOM 1047 NE ARG A 586 62.170 3.632 2.784 1.00 0.00 N ATOM 1048 CZ ARG A 586 62.232 4.665 3.637 1.00 0.00 C ATOM 1049 NH1 ARG A 586 63.354 5.314 3.842 1.00 0.00 N ATOM 1050 NH2 ARG A 586 61.155 5.032 4.275 1.00 0.00 N ATOM 0 H ARG A 586 63.571 2.177 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 586 61.057 1.346 -0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 586 62.826 3.827 -0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 586 61.323 3.599 0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 586 62.251 1.459 1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 586 63.768 1.763 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 586 64.015 2.628 2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 586 63.888 4.017 1.635 1.00 0.00 H new ATOM 0 HE ARG A 586 61.278 3.155 2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 586 64.202 5.036 3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 586 63.378 6.097 4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 586 60.278 4.535 4.123 1.00 0.00 H new ATOM 0 HH22 ARG A 586 61.190 5.816 4.926 1.00 0.00 H new