USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 553 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 597 MET CE :methyl -114:sc= -2.76 (180deg=-3.18!) USER MOD Set 1.2: A 600 MET CE :methyl 149:sc= -3.69! (180deg=-5.15!) USER MOD Set 2.1: A 561 CYS SG : rot 180:sc= -1.38 USER MOD Set 2.2: A 596 MET CE :methyl -123:sc= -0.164 (180deg=-1.54) USER MOD Set 3.1: A 555 LYS NZ :NH3+ 163:sc= 0.374 (180deg=0) USER MOD Set 3.2: A 559 ASN : amide:sc= -4.74! C(o=-4.4!,f=-8.1!) USER MOD Single : A 544 ASN : amide:sc= -1.12! X(o=-1.1!,f=-0.77) USER MOD Single : A 550 THR OG1 : rot 180:sc=-0.00507 USER MOD Single : A 552 LYS NZ :NH3+ 140:sc= 0.11 (180deg=-0.0426) USER MOD Single : A 553 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 563 HIS : no HE2:sc= -0.746 X(o=-0.75,f=-1) USER MOD Single : A 566 TYR OH : rot 180:sc= -0.0966 USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 LYS NZ :NH3+ 143:sc= -0.194 (180deg=-1.58!) USER MOD Single : A 579 CYS SG : rot 28:sc= -1.29 USER MOD Single : A 583 LYS NZ :NH3+ 154:sc= -0.137 (180deg=-0.625) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 83:sc= -2.34 USER MOD Single : A 598 ASN : amide:sc= -1.31 K(o=-1.3,f=-7.3!) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 539 -5.793 11.424 5.629 1.00 0.00 N ATOM 60 CA GLY A 539 -5.035 10.193 5.759 1.00 0.00 C ATOM 61 C GLY A 539 -5.921 8.992 6.024 1.00 0.00 C ATOM 62 O GLY A 539 -6.803 9.040 6.883 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.463 10.024 4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.316 10.297 6.572 1.00 0.00 H new ATOM 66 N ILE A 540 -5.689 7.912 5.285 1.00 0.00 N ATOM 67 CA ILE A 540 -6.474 6.694 5.446 1.00 0.00 C ATOM 68 C ILE A 540 -5.920 5.828 6.572 1.00 0.00 C ATOM 69 O ILE A 540 -4.899 6.156 7.177 1.00 0.00 O ATOM 70 CB ILE A 540 -6.503 5.869 4.146 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.132 5.244 3.881 1.00 0.00 C ATOM 72 CG2 ILE A 540 -6.929 6.741 2.974 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.165 4.123 2.866 1.00 0.00 C ATOM 0 H ILE A 540 -4.964 7.856 4.569 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.489 7.003 5.695 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.231 5.066 4.260 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.450 6.019 3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.728 4.862 4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -6.945 6.143 2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -7.925 7.142 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.223 7.563 2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.159 3.727 2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -5.822 3.329 3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.539 4.504 1.915 1.00 0.00 H new ATOM 85 N PHE A 541 -6.600 4.720 6.848 1.00 0.00 N ATOM 86 CA PHE A 541 -6.176 3.805 7.901 1.00 0.00 C ATOM 87 C PHE A 541 -6.262 2.356 7.430 1.00 0.00 C ATOM 88 O PHE A 541 -7.188 1.978 6.713 1.00 0.00 O ATOM 89 CB PHE A 541 -7.038 3.998 9.151 1.00 0.00 C ATOM 90 CG PHE A 541 -6.314 3.695 10.431 1.00 0.00 C ATOM 91 CD1 PHE A 541 -6.147 2.387 10.855 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.800 4.719 11.211 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.481 2.104 12.033 1.00 0.00 C ATOM 94 CE2 PHE A 541 -5.132 4.443 12.389 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.973 3.134 12.801 1.00 0.00 C ATOM 0 H PHE A 541 -7.447 4.434 6.357 1.00 0.00 H new ATOM 0 HA PHE A 541 -5.138 4.028 8.145 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.396 5.027 9.180 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.917 3.357 9.079 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.542 1.578 10.258 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.923 5.744 10.895 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.358 1.080 12.352 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.735 5.250 12.987 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.452 2.916 13.722 1.00 0.00 H new ATOM 105 N VAL A 542 -5.287 1.549 7.838 1.00 0.00 N ATOM 106 CA VAL A 542 -5.251 0.142 7.458 1.00 0.00 C ATOM 107 C VAL A 542 -5.084 -0.753 8.682 1.00 0.00 C ATOM 108 O VAL A 542 -4.408 -0.387 9.643 1.00 0.00 O ATOM 109 CB VAL A 542 -4.107 -0.143 6.468 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.339 -1.464 5.749 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.968 0.998 5.472 1.00 0.00 C ATOM 0 H VAL A 542 -4.512 1.846 8.431 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.203 -0.080 6.975 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.176 -0.221 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.520 -1.648 5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.384 -2.272 6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.279 -1.419 5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.155 0.780 4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.898 1.110 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.751 1.923 6.006 1.00 0.00 H new ATOM 121 N ARG A 543 -5.705 -1.927 8.638 1.00 0.00 N ATOM 122 CA ARG A 543 -5.626 -2.874 9.744 1.00 0.00 C ATOM 123 C ARG A 543 -5.415 -4.295 9.228 1.00 0.00 C ATOM 124 O ARG A 543 -5.726 -4.601 8.078 1.00 0.00 O ATOM 125 CB ARG A 543 -6.900 -2.811 10.589 1.00 0.00 C ATOM 126 CG ARG A 543 -6.836 -1.789 11.712 1.00 0.00 C ATOM 127 CD ARG A 543 -7.955 -1.998 12.720 1.00 0.00 C ATOM 128 NE ARG A 543 -7.731 -3.179 13.550 1.00 0.00 N ATOM 129 CZ ARG A 543 -6.958 -3.181 14.630 1.00 0.00 C ATOM 130 NH1 ARG A 543 -6.339 -2.072 15.010 1.00 0.00 N ATOM 131 NH2 ARG A 543 -6.804 -4.296 15.334 1.00 0.00 N ATOM 0 H ARG A 543 -6.268 -2.245 7.849 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.773 -2.600 10.364 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.744 -2.574 9.941 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -7.092 -3.796 11.016 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.872 -1.861 12.216 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.903 -0.784 11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -8.038 -1.118 13.357 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -8.903 -2.100 12.193 1.00 0.00 H new ATOM 0 HE ARG A 543 -8.193 -4.049 13.286 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -6.456 -1.213 14.472 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -5.746 -2.078 15.840 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -7.279 -5.151 15.045 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -6.210 -4.298 16.163 1.00 0.00 H new ATOM 145 N ASN A 544 -4.882 -5.157 10.088 1.00 0.00 N ATOM 146 CA ASN A 544 -4.628 -6.545 9.719 1.00 0.00 C ATOM 147 C ASN A 544 -3.479 -6.641 8.720 1.00 0.00 C ATOM 148 O ASN A 544 -3.627 -7.213 7.639 1.00 0.00 O ATOM 149 CB ASN A 544 -5.889 -7.176 9.125 1.00 0.00 C ATOM 150 CG ASN A 544 -5.879 -8.690 9.221 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.831 -9.298 9.710 1.00 0.00 O ATOM 152 ND2 ASN A 544 -4.798 -9.305 8.754 1.00 0.00 N ATOM 0 H ASN A 544 -4.618 -4.919 11.044 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.348 -7.089 10.621 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.765 -6.788 9.644 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.981 -6.882 8.080 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -4.733 -10.322 8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.033 -8.760 8.357 1.00 0.00 H new ATOM 159 N LEU A 545 -2.334 -6.077 9.088 1.00 0.00 N ATOM 160 CA LEU A 545 -1.158 -6.099 8.226 1.00 0.00 C ATOM 161 C LEU A 545 -0.145 -7.131 8.711 1.00 0.00 C ATOM 162 O LEU A 545 0.058 -7.321 9.910 1.00 0.00 O ATOM 163 CB LEU A 545 -0.509 -4.714 8.179 1.00 0.00 C ATOM 164 CG LEU A 545 -1.253 -3.652 7.369 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.812 -2.257 7.785 1.00 0.00 C ATOM 166 CD2 LEU A 545 -1.027 -3.862 5.879 1.00 0.00 C ATOM 0 H LEU A 545 -2.195 -5.599 9.978 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.480 -6.377 7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.399 -4.352 9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.495 -4.819 7.768 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.320 -3.749 7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.352 -1.514 7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.026 -2.108 8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.259 -2.147 7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.564 -3.097 5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 545 0.038 -3.792 5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.393 -4.847 5.591 1.00 0.00 H new ATOM 178 N PRO A 546 0.509 -7.812 7.759 1.00 0.00 N ATOM 179 CA PRO A 546 1.514 -8.834 8.065 1.00 0.00 C ATOM 180 C PRO A 546 2.789 -8.237 8.650 1.00 0.00 C ATOM 181 O PRO A 546 3.316 -7.250 8.137 1.00 0.00 O ATOM 182 CB PRO A 546 1.798 -9.472 6.703 1.00 0.00 C ATOM 183 CG PRO A 546 1.458 -8.414 5.711 1.00 0.00 C ATOM 184 CD PRO A 546 0.318 -7.637 6.309 1.00 0.00 C ATOM 0 HA PRO A 546 1.161 -9.540 8.816 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.842 -9.774 6.617 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.194 -10.366 6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.314 -7.767 5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.172 -8.853 4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.354 -6.586 6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.647 -8.023 5.981 1.00 0.00 H new ATOM 192 N PHE A 547 3.280 -8.841 9.727 1.00 0.00 N ATOM 193 CA PHE A 547 4.494 -8.368 10.382 1.00 0.00 C ATOM 194 C PHE A 547 5.527 -7.918 9.353 1.00 0.00 C ATOM 195 O PHE A 547 6.002 -6.783 9.389 1.00 0.00 O ATOM 196 CB PHE A 547 5.084 -9.468 11.266 1.00 0.00 C ATOM 197 CG PHE A 547 4.115 -10.006 12.281 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.416 -9.148 13.114 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.903 -11.370 12.400 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.523 -9.639 14.048 1.00 0.00 C ATOM 201 CE2 PHE A 547 3.011 -11.867 13.332 1.00 0.00 C ATOM 202 CZ PHE A 547 2.322 -11.001 14.158 1.00 0.00 C ATOM 0 H PHE A 547 2.856 -9.659 10.165 1.00 0.00 H new ATOM 0 HA PHE A 547 4.231 -7.513 11.005 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.427 -10.287 10.633 1.00 0.00 H new ATOM 0 HB3 PHE A 547 5.960 -9.077 11.783 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.571 -8.082 13.033 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.440 -12.052 11.758 1.00 0.00 H new ATOM 0 HE1 PHE A 547 1.984 -8.959 14.690 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.853 -12.932 13.414 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.627 -11.388 14.889 1.00 0.00 H new ATOM 212 N ASP A 548 5.872 -8.817 8.438 1.00 0.00 N ATOM 213 CA ASP A 548 6.849 -8.515 7.398 1.00 0.00 C ATOM 214 C ASP A 548 6.635 -7.109 6.845 1.00 0.00 C ATOM 215 O ASP A 548 7.593 -6.390 6.561 1.00 0.00 O ATOM 216 CB ASP A 548 6.757 -9.541 6.268 1.00 0.00 C ATOM 217 CG ASP A 548 5.742 -9.150 5.212 1.00 0.00 C ATOM 218 OD1 ASP A 548 6.048 -8.253 4.398 1.00 0.00 O ATOM 219 OD2 ASP A 548 4.643 -9.742 5.198 1.00 0.00 O ATOM 0 H ASP A 548 5.489 -9.762 8.395 1.00 0.00 H new ATOM 0 HA ASP A 548 7.843 -8.565 7.842 1.00 0.00 H new ATOM 0 HB2 ASP A 548 7.736 -9.653 5.803 1.00 0.00 H new ATOM 0 HB3 ASP A 548 6.489 -10.512 6.684 1.00 0.00 H new ATOM 224 N PHE A 549 5.372 -6.725 6.692 1.00 0.00 N ATOM 225 CA PHE A 549 5.032 -5.407 6.170 1.00 0.00 C ATOM 226 C PHE A 549 5.844 -4.319 6.867 1.00 0.00 C ATOM 227 O PHE A 549 5.725 -4.117 8.076 1.00 0.00 O ATOM 228 CB PHE A 549 3.537 -5.134 6.347 1.00 0.00 C ATOM 229 CG PHE A 549 2.959 -4.242 5.286 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.692 -4.735 4.018 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.683 -2.912 5.555 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.162 -3.916 3.039 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.152 -2.088 4.580 1.00 0.00 C ATOM 234 CZ PHE A 549 1.891 -2.591 3.321 1.00 0.00 C ATOM 0 H PHE A 549 4.567 -7.308 6.922 1.00 0.00 H new ATOM 0 HA PHE A 549 5.274 -5.392 5.107 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.000 -6.083 6.344 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.373 -4.677 7.323 1.00 0.00 H new ATOM 0 HD1 PHE A 549 2.900 -5.770 3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 549 2.885 -2.514 6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 549 1.960 -4.311 2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 549 1.942 -1.052 4.803 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.476 -1.950 2.558 1.00 0.00 H new ATOM 244 N THR A 550 6.673 -3.622 6.096 1.00 0.00 N ATOM 245 CA THR A 550 7.507 -2.557 6.638 1.00 0.00 C ATOM 246 C THR A 550 7.016 -1.188 6.181 1.00 0.00 C ATOM 247 O THR A 550 6.398 -1.061 5.124 1.00 0.00 O ATOM 248 CB THR A 550 8.979 -2.728 6.219 1.00 0.00 C ATOM 249 OG1 THR A 550 9.064 -2.953 4.807 1.00 0.00 O ATOM 250 CG2 THR A 550 9.622 -3.889 6.962 1.00 0.00 C ATOM 0 H THR A 550 6.784 -3.776 5.094 1.00 0.00 H new ATOM 0 HA THR A 550 7.436 -2.622 7.724 1.00 0.00 H new ATOM 0 HB THR A 550 9.514 -1.813 6.474 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.003 -3.059 4.549 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.661 -3.990 6.649 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.582 -3.701 8.035 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.084 -4.809 6.735 1.00 0.00 H new ATOM 258 N TRP A 551 7.296 -0.167 6.982 1.00 0.00 N ATOM 259 CA TRP A 551 6.883 1.194 6.659 1.00 0.00 C ATOM 260 C TRP A 551 7.109 1.495 5.181 1.00 0.00 C ATOM 261 O TRP A 551 6.234 2.037 4.506 1.00 0.00 O ATOM 262 CB TRP A 551 7.650 2.200 7.520 1.00 0.00 C ATOM 263 CG TRP A 551 9.119 2.235 7.226 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.086 1.451 7.789 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.788 3.099 6.301 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.316 1.776 7.269 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.160 2.783 6.354 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.362 4.106 5.432 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.105 3.441 5.572 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.302 4.759 4.657 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.660 4.423 4.730 1.00 0.00 C ATOM 0 H TRP A 551 7.807 -0.255 7.860 1.00 0.00 H new ATOM 0 HA TRP A 551 5.817 1.284 6.870 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.232 3.194 7.364 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.503 1.954 8.572 1.00 0.00 H new ATOM 0 HD1 TRP A 551 9.910 0.688 8.533 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.201 1.338 7.523 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.317 4.370 5.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.153 3.185 5.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 9.984 5.541 3.984 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.370 4.950 4.109 1.00 0.00 H new ATOM 282 N LYS A 552 8.289 1.139 4.683 1.00 0.00 N ATOM 283 CA LYS A 552 8.630 1.370 3.284 1.00 0.00 C ATOM 284 C LYS A 552 7.513 0.886 2.365 1.00 0.00 C ATOM 285 O LYS A 552 7.041 1.628 1.504 1.00 0.00 O ATOM 286 CB LYS A 552 9.938 0.657 2.933 1.00 0.00 C ATOM 287 CG LYS A 552 11.175 1.510 3.157 1.00 0.00 C ATOM 288 CD LYS A 552 12.426 0.827 2.631 1.00 0.00 C ATOM 289 CE LYS A 552 12.880 -0.293 3.555 1.00 0.00 C ATOM 290 NZ LYS A 552 13.522 0.234 4.791 1.00 0.00 N ATOM 0 H LYS A 552 9.025 0.689 5.228 1.00 0.00 H new ATOM 0 HA LYS A 552 8.757 2.443 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.019 -0.250 3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 552 9.904 0.348 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.049 2.472 2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.290 1.713 4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 552 12.231 0.424 1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 552 13.226 1.560 2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 552 12.023 -0.910 3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 552 13.583 -0.937 3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 13.222 -0.336 5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 14.556 0.183 4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 13.236 1.223 4.936 1.00 0.00 H new ATOM 304 N MET A 553 7.093 -0.360 2.556 1.00 0.00 N ATOM 305 CA MET A 553 6.029 -0.940 1.745 1.00 0.00 C ATOM 306 C MET A 553 4.781 -0.064 1.779 1.00 0.00 C ATOM 307 O MET A 553 4.330 0.432 0.745 1.00 0.00 O ATOM 308 CB MET A 553 5.692 -2.348 2.239 1.00 0.00 C ATOM 309 CG MET A 553 6.846 -3.330 2.111 1.00 0.00 C ATOM 310 SD MET A 553 6.444 -4.963 2.760 1.00 0.00 S ATOM 311 CE MET A 553 5.530 -5.659 1.385 1.00 0.00 C ATOM 0 H MET A 553 7.473 -0.987 3.265 1.00 0.00 H new ATOM 0 HA MET A 553 6.382 -0.999 0.715 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.386 -2.294 3.284 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.839 -2.727 1.676 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.127 -3.420 1.062 1.00 0.00 H new ATOM 0 HG3 MET A 553 7.713 -2.936 2.641 1.00 0.00 H new ATOM 0 HE1 MET A 553 5.212 -6.671 1.635 1.00 0.00 H new ATOM 0 HE2 MET A 553 4.654 -5.043 1.182 1.00 0.00 H new ATOM 0 HE3 MET A 553 6.167 -5.686 0.501 1.00 0.00 H new ATOM 321 N LEU A 554 4.226 0.121 2.971 1.00 0.00 N ATOM 322 CA LEU A 554 3.029 0.938 3.140 1.00 0.00 C ATOM 323 C LEU A 554 3.053 2.140 2.202 1.00 0.00 C ATOM 324 O LEU A 554 2.048 2.473 1.575 1.00 0.00 O ATOM 325 CB LEU A 554 2.909 1.409 4.590 1.00 0.00 C ATOM 326 CG LEU A 554 1.584 2.068 4.974 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.456 1.048 4.955 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.691 2.722 6.344 1.00 0.00 C ATOM 0 H LEU A 554 4.585 -0.284 3.836 1.00 0.00 H new ATOM 0 HA LEU A 554 2.163 0.325 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.068 0.552 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.715 2.116 4.789 1.00 0.00 H new ATOM 0 HG LEU A 554 1.359 2.842 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.479 1.535 5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.364 0.626 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.674 0.251 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.739 3.186 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 554 1.939 1.967 7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.472 3.483 6.324 1.00 0.00 H new ATOM 340 N LYS A 555 4.210 2.788 2.109 1.00 0.00 N ATOM 341 CA LYS A 555 4.368 3.952 1.245 1.00 0.00 C ATOM 342 C LYS A 555 4.393 3.540 -0.223 1.00 0.00 C ATOM 343 O LYS A 555 3.484 3.868 -0.985 1.00 0.00 O ATOM 344 CB LYS A 555 5.655 4.702 1.597 1.00 0.00 C ATOM 345 CG LYS A 555 5.978 5.837 0.640 1.00 0.00 C ATOM 346 CD LYS A 555 7.474 6.094 0.567 1.00 0.00 C ATOM 347 CE LYS A 555 7.775 7.456 -0.040 1.00 0.00 C ATOM 348 NZ LYS A 555 7.880 7.392 -1.524 1.00 0.00 N ATOM 0 H LYS A 555 5.052 2.526 2.622 1.00 0.00 H new ATOM 0 HA LYS A 555 3.515 4.611 1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.567 5.103 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.486 3.997 1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.600 5.595 -0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.467 6.744 0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 555 7.904 6.037 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 555 7.950 5.315 -0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 555 6.990 8.159 0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 555 8.708 7.840 0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 7.797 8.350 -1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 8.800 6.986 -1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 7.117 6.795 -1.901 1.00 0.00 H new ATOM 362 N ASP A 556 5.439 2.819 -0.613 1.00 0.00 N ATOM 363 CA ASP A 556 5.581 2.360 -1.990 1.00 0.00 C ATOM 364 C ASP A 556 4.340 1.595 -2.438 1.00 0.00 C ATOM 365 O ASP A 556 3.635 2.016 -3.356 1.00 0.00 O ATOM 366 CB ASP A 556 6.820 1.475 -2.130 1.00 0.00 C ATOM 367 CG ASP A 556 8.106 2.235 -1.874 1.00 0.00 C ATOM 368 OD1 ASP A 556 8.260 2.786 -0.764 1.00 0.00 O ATOM 369 OD2 ASP A 556 8.961 2.278 -2.784 1.00 0.00 O ATOM 0 H ASP A 556 6.201 2.540 0.005 1.00 0.00 H new ATOM 0 HA ASP A 556 5.696 3.235 -2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 556 6.749 0.642 -1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.847 1.049 -3.133 1.00 0.00 H new ATOM 374 N LYS A 557 4.079 0.467 -1.786 1.00 0.00 N ATOM 375 CA LYS A 557 2.924 -0.359 -2.116 1.00 0.00 C ATOM 376 C LYS A 557 1.715 0.507 -2.457 1.00 0.00 C ATOM 377 O LYS A 557 0.906 0.152 -3.314 1.00 0.00 O ATOM 378 CB LYS A 557 2.585 -1.288 -0.948 1.00 0.00 C ATOM 379 CG LYS A 557 1.211 -1.927 -1.058 1.00 0.00 C ATOM 380 CD LYS A 557 1.064 -2.714 -2.349 1.00 0.00 C ATOM 381 CE LYS A 557 1.512 -4.157 -2.176 1.00 0.00 C ATOM 382 NZ LYS A 557 2.057 -4.724 -3.441 1.00 0.00 N ATOM 0 H LYS A 557 4.653 0.104 -1.025 1.00 0.00 H new ATOM 0 HA LYS A 557 3.177 -0.960 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.338 -2.074 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.640 -0.723 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.047 -2.588 -0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.444 -1.154 -1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.024 -2.691 -2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.653 -2.241 -3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.272 -4.210 -1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.669 -4.761 -1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.351 -5.709 -3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.324 -4.697 -4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.877 -4.163 -3.748 1.00 0.00 H new ATOM 396 N PHE A 558 1.600 1.646 -1.781 1.00 0.00 N ATOM 397 CA PHE A 558 0.491 2.564 -2.013 1.00 0.00 C ATOM 398 C PHE A 558 0.828 3.557 -3.122 1.00 0.00 C ATOM 399 O PHE A 558 -0.046 3.986 -3.873 1.00 0.00 O ATOM 400 CB PHE A 558 0.146 3.316 -0.727 1.00 0.00 C ATOM 401 CG PHE A 558 -0.640 2.495 0.256 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.177 1.257 0.671 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.841 2.962 0.765 1.00 0.00 C ATOM 404 CE1 PHE A 558 -0.898 0.500 1.574 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.566 2.209 1.669 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.094 0.977 2.074 1.00 0.00 C ATOM 0 H PHE A 558 2.261 1.955 -1.068 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.373 1.978 -2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 558 1.069 3.651 -0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.425 4.210 -0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.758 0.880 0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.215 3.926 0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.527 -0.464 1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.501 2.584 2.058 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.659 0.387 2.781 1.00 0.00 H new ATOM 416 N ASN A 559 2.104 3.917 -3.216 1.00 0.00 N ATOM 417 CA ASN A 559 2.559 4.861 -4.231 1.00 0.00 C ATOM 418 C ASN A 559 1.998 4.496 -5.602 1.00 0.00 C ATOM 419 O ASN A 559 1.944 5.332 -6.504 1.00 0.00 O ATOM 420 CB ASN A 559 4.088 4.888 -4.284 1.00 0.00 C ATOM 421 CG ASN A 559 4.682 5.895 -3.319 1.00 0.00 C ATOM 422 OD1 ASN A 559 5.581 5.572 -2.543 1.00 0.00 O ATOM 423 ND2 ASN A 559 4.180 7.124 -3.363 1.00 0.00 N ATOM 0 H ASN A 559 2.841 3.570 -2.602 1.00 0.00 H new ATOM 0 HA ASN A 559 2.194 5.852 -3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.474 3.895 -4.053 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.410 5.127 -5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 559 4.540 7.845 -2.737 1.00 0.00 H new ATOM 0 HD22 ASN A 559 3.435 7.347 -4.023 1.00 0.00 H new ATOM 430 N GLU A 560 1.581 3.243 -5.751 1.00 0.00 N ATOM 431 CA GLU A 560 1.024 2.768 -7.013 1.00 0.00 C ATOM 432 C GLU A 560 -0.216 3.571 -7.396 1.00 0.00 C ATOM 433 O GLU A 560 -0.379 3.966 -8.552 1.00 0.00 O ATOM 434 CB GLU A 560 0.672 1.282 -6.913 1.00 0.00 C ATOM 435 CG GLU A 560 1.873 0.388 -6.658 1.00 0.00 C ATOM 436 CD GLU A 560 1.493 -1.073 -6.517 1.00 0.00 C ATOM 437 OE1 GLU A 560 0.767 -1.408 -5.558 1.00 0.00 O ATOM 438 OE2 GLU A 560 1.923 -1.882 -7.366 1.00 0.00 O ATOM 0 H GLU A 560 1.618 2.538 -5.014 1.00 0.00 H new ATOM 0 HA GLU A 560 1.778 2.904 -7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 560 -0.052 1.142 -6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.187 0.969 -7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 560 2.583 0.497 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.380 0.717 -5.751 1.00 0.00 H new ATOM 445 N CYS A 561 -1.085 3.808 -6.421 1.00 0.00 N ATOM 446 CA CYS A 561 -2.311 4.563 -6.655 1.00 0.00 C ATOM 447 C CYS A 561 -2.006 6.042 -6.871 1.00 0.00 C ATOM 448 O CYS A 561 -2.446 6.640 -7.852 1.00 0.00 O ATOM 449 CB CYS A 561 -3.272 4.394 -5.478 1.00 0.00 C ATOM 450 SG CYS A 561 -4.633 5.585 -5.459 1.00 0.00 S ATOM 0 H CYS A 561 -0.964 3.488 -5.460 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.782 4.173 -7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -3.686 3.386 -5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -2.710 4.485 -4.548 1.00 0.00 H new ATOM 0 HG CYS A 561 -5.392 5.360 -4.428 1.00 0.00 H new ATOM 456 N GLY A 562 -1.252 6.627 -5.946 1.00 0.00 N ATOM 457 CA GLY A 562 -0.903 8.031 -6.052 1.00 0.00 C ATOM 458 C GLY A 562 0.422 8.351 -5.389 1.00 0.00 C ATOM 459 O GLY A 562 1.282 7.480 -5.250 1.00 0.00 O ATOM 0 H GLY A 562 -0.876 6.153 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -0.856 8.312 -7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.689 8.633 -5.596 1.00 0.00 H new ATOM 463 N HIS A 563 0.590 9.605 -4.980 1.00 0.00 N ATOM 464 CA HIS A 563 1.822 10.038 -4.330 1.00 0.00 C ATOM 465 C HIS A 563 1.675 10.003 -2.811 1.00 0.00 C ATOM 466 O HIS A 563 0.994 10.843 -2.223 1.00 0.00 O ATOM 467 CB HIS A 563 2.195 11.449 -4.785 1.00 0.00 C ATOM 468 CG HIS A 563 3.332 12.046 -4.014 1.00 0.00 C ATOM 469 ND1 HIS A 563 4.655 11.801 -4.313 1.00 0.00 N ATOM 470 CD2 HIS A 563 3.337 12.884 -2.951 1.00 0.00 C ATOM 471 CE1 HIS A 563 5.425 12.461 -3.466 1.00 0.00 C ATOM 472 NE2 HIS A 563 4.650 13.126 -2.629 1.00 0.00 N ATOM 0 H HIS A 563 -0.111 10.338 -5.087 1.00 0.00 H new ATOM 0 HA HIS A 563 2.617 9.350 -4.617 1.00 0.00 H new ATOM 0 HB2 HIS A 563 2.458 11.423 -5.843 1.00 0.00 H new ATOM 0 HB3 HIS A 563 1.323 12.095 -4.689 1.00 0.00 H new ATOM 0 HD1 HIS A 563 4.988 11.204 -5.070 1.00 0.00 H new ATOM 0 HD2 HIS A 563 2.470 13.287 -2.449 1.00 0.00 H new ATOM 0 HE1 HIS A 563 6.505 12.457 -3.459 1.00 0.00 H new ATOM 481 N VAL A 564 2.319 9.025 -2.182 1.00 0.00 N ATOM 482 CA VAL A 564 2.261 8.880 -0.732 1.00 0.00 C ATOM 483 C VAL A 564 3.095 9.952 -0.039 1.00 0.00 C ATOM 484 O VAL A 564 4.263 10.157 -0.372 1.00 0.00 O ATOM 485 CB VAL A 564 2.756 7.491 -0.286 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.769 7.391 1.231 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.890 6.398 -0.893 1.00 0.00 C ATOM 0 H VAL A 564 2.887 8.321 -2.654 1.00 0.00 H new ATOM 0 HA VAL A 564 1.216 8.994 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 564 3.777 7.355 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.121 6.403 1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.434 8.151 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 564 1.761 7.547 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.253 5.423 -0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 564 0.858 6.528 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.937 6.458 -1.980 1.00 0.00 H new ATOM 497 N LEU A 565 2.489 10.632 0.927 1.00 0.00 N ATOM 498 CA LEU A 565 3.176 11.683 1.670 1.00 0.00 C ATOM 499 C LEU A 565 3.651 11.171 3.026 1.00 0.00 C ATOM 500 O LEU A 565 4.761 11.475 3.461 1.00 0.00 O ATOM 501 CB LEU A 565 2.251 12.887 1.861 1.00 0.00 C ATOM 502 CG LEU A 565 1.730 13.543 0.583 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.530 14.427 0.887 1.00 0.00 C ATOM 504 CD2 LEU A 565 2.831 14.349 -0.090 1.00 0.00 C ATOM 0 H LEU A 565 1.523 10.475 1.215 1.00 0.00 H new ATOM 0 HA LEU A 565 4.049 11.991 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.395 12.571 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.784 13.641 2.441 1.00 0.00 H new ATOM 0 HG LEU A 565 1.412 12.757 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.173 14.886 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.265 13.823 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 565 0.821 15.207 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.442 14.809 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.180 15.126 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.661 13.690 -0.344 1.00 0.00 H new ATOM 516 N TYR A 566 2.803 10.391 3.687 1.00 0.00 N ATOM 517 CA TYR A 566 3.136 9.837 4.994 1.00 0.00 C ATOM 518 C TYR A 566 2.858 8.337 5.037 1.00 0.00 C ATOM 519 O TYR A 566 1.947 7.845 4.372 1.00 0.00 O ATOM 520 CB TYR A 566 2.338 10.546 6.090 1.00 0.00 C ATOM 521 CG TYR A 566 2.639 10.038 7.483 1.00 0.00 C ATOM 522 CD1 TYR A 566 3.911 10.159 8.028 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.650 9.438 8.253 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.190 9.696 9.299 1.00 0.00 C ATOM 525 CE2 TYR A 566 1.920 8.973 9.525 1.00 0.00 C ATOM 526 CZ TYR A 566 3.192 9.104 10.044 1.00 0.00 C ATOM 527 OH TYR A 566 3.465 8.642 11.311 1.00 0.00 O ATOM 0 H TYR A 566 1.881 10.128 3.340 1.00 0.00 H new ATOM 0 HA TYR A 566 4.200 9.996 5.167 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.549 11.614 6.048 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.274 10.424 5.890 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.695 10.623 7.448 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.653 9.334 7.850 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.185 9.797 9.707 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.140 8.509 10.110 1.00 0.00 H new ATOM 0 HH TYR A 566 2.653 8.254 11.700 1.00 0.00 H new ATOM 537 N ALA A 567 3.650 7.618 5.825 1.00 0.00 N ATOM 538 CA ALA A 567 3.489 6.175 5.957 1.00 0.00 C ATOM 539 C ALA A 567 4.261 5.645 7.160 1.00 0.00 C ATOM 540 O ALA A 567 5.490 5.566 7.136 1.00 0.00 O ATOM 541 CB ALA A 567 3.944 5.474 4.685 1.00 0.00 C ATOM 0 H ALA A 567 4.409 8.011 6.382 1.00 0.00 H new ATOM 0 HA ALA A 567 2.431 5.965 6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.818 4.397 4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.346 5.823 3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 567 4.995 5.699 4.501 1.00 0.00 H new ATOM 547 N ASP A 568 3.534 5.283 8.211 1.00 0.00 N ATOM 548 CA ASP A 568 4.151 4.759 9.424 1.00 0.00 C ATOM 549 C ASP A 568 3.326 3.614 10.003 1.00 0.00 C ATOM 550 O ASP A 568 2.098 3.690 10.065 1.00 0.00 O ATOM 551 CB ASP A 568 4.304 5.870 10.464 1.00 0.00 C ATOM 552 CG ASP A 568 5.412 5.583 11.459 1.00 0.00 C ATOM 553 OD1 ASP A 568 6.594 5.623 11.058 1.00 0.00 O ATOM 554 OD2 ASP A 568 5.097 5.319 12.638 1.00 0.00 O ATOM 0 H ASP A 568 2.516 5.343 8.248 1.00 0.00 H new ATOM 0 HA ASP A 568 5.138 4.376 9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.510 6.813 9.957 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.363 5.995 10.999 1.00 0.00 H new ATOM 559 N ILE A 569 4.008 2.554 10.425 1.00 0.00 N ATOM 560 CA ILE A 569 3.338 1.394 10.998 1.00 0.00 C ATOM 561 C ILE A 569 3.005 1.622 12.469 1.00 0.00 C ATOM 562 O ILE A 569 3.822 1.356 13.350 1.00 0.00 O ATOM 563 CB ILE A 569 4.200 0.125 10.869 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.489 -0.175 9.397 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.506 -1.057 11.530 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.247 -0.464 8.584 1.00 0.00 C ATOM 0 H ILE A 569 5.024 2.475 10.381 1.00 0.00 H new ATOM 0 HA ILE A 569 2.414 1.254 10.436 1.00 0.00 H new ATOM 0 HB ILE A 569 5.149 0.295 11.378 1.00 0.00 H new ATOM 0 HG12 ILE A 569 5.012 0.674 8.957 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.162 -1.030 9.334 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.128 -1.946 11.430 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.348 -0.842 12.587 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.544 -1.231 11.047 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.528 -0.668 7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.735 -1.332 8.999 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.582 0.399 8.616 1.00 0.00 H new ATOM 578 N LYS A 570 1.799 2.115 12.727 1.00 0.00 N ATOM 579 CA LYS A 570 1.355 2.377 14.091 1.00 0.00 C ATOM 580 C LYS A 570 1.827 1.278 15.037 1.00 0.00 C ATOM 581 O LYS A 570 1.327 0.154 14.998 1.00 0.00 O ATOM 582 CB LYS A 570 -0.171 2.486 14.141 1.00 0.00 C ATOM 583 CG LYS A 570 -0.698 3.844 13.710 1.00 0.00 C ATOM 584 CD LYS A 570 -0.331 4.927 14.710 1.00 0.00 C ATOM 585 CE LYS A 570 -0.885 6.281 14.294 1.00 0.00 C ATOM 586 NZ LYS A 570 -2.291 6.469 14.747 1.00 0.00 N ATOM 0 H LYS A 570 1.111 2.341 12.009 1.00 0.00 H new ATOM 0 HA LYS A 570 1.792 3.322 14.413 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.603 1.718 13.500 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.509 2.280 15.157 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -0.292 4.099 12.731 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.782 3.798 13.604 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.718 4.661 15.694 1.00 0.00 H new ATOM 0 HD3 LYS A 570 0.754 4.988 14.800 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -0.261 7.072 14.710 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -0.838 6.375 13.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -2.631 7.404 14.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -2.892 5.730 14.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -2.333 6.405 15.784 1.00 0.00 H new ATOM 686 N LYS A 577 1.447 -3.977 15.578 1.00 0.00 N ATOM 687 CA LYS A 577 0.057 -4.413 15.638 1.00 0.00 C ATOM 688 C LYS A 577 -0.569 -4.427 14.247 1.00 0.00 C ATOM 689 O LYS A 577 -1.758 -4.155 14.088 1.00 0.00 O ATOM 690 CB LYS A 577 -0.748 -3.496 16.561 1.00 0.00 C ATOM 691 CG LYS A 577 -0.163 -3.374 17.958 1.00 0.00 C ATOM 692 CD LYS A 577 -0.275 -4.680 18.726 1.00 0.00 C ATOM 693 CE LYS A 577 -1.631 -4.815 19.401 1.00 0.00 C ATOM 694 NZ LYS A 577 -2.643 -5.424 18.494 1.00 0.00 N ATOM 0 HA LYS A 577 0.038 -5.427 16.037 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -0.807 -2.504 16.113 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -1.768 -3.873 16.635 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.884 -3.079 17.890 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -0.681 -2.585 18.503 1.00 0.00 H new ATOM 0 HD2 LYS A 577 -0.121 -5.518 18.046 1.00 0.00 H new ATOM 0 HD3 LYS A 577 0.513 -4.730 19.477 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -1.531 -5.427 20.297 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -1.976 -3.832 19.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -3.268 -6.049 19.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -3.208 -4.672 18.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -2.161 -5.976 17.756 1.00 0.00 H new ATOM 708 N GLY A 578 0.240 -4.748 13.242 1.00 0.00 N ATOM 709 CA GLY A 578 -0.253 -4.792 11.878 1.00 0.00 C ATOM 710 C GLY A 578 -1.279 -3.712 11.596 1.00 0.00 C ATOM 711 O GLY A 578 -2.425 -4.009 11.256 1.00 0.00 O ATOM 0 H GLY A 578 1.228 -4.978 13.348 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.584 -4.682 11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -0.697 -5.769 11.687 1.00 0.00 H new ATOM 715 N CYS A 579 -0.869 -2.457 11.740 1.00 0.00 N ATOM 716 CA CYS A 579 -1.762 -1.329 11.501 1.00 0.00 C ATOM 717 C CYS A 579 -0.968 -0.052 11.246 1.00 0.00 C ATOM 718 O CYS A 579 0.092 0.160 11.834 1.00 0.00 O ATOM 719 CB CYS A 579 -2.699 -1.132 12.694 1.00 0.00 C ATOM 720 SG CYS A 579 -1.849 -0.986 14.284 1.00 0.00 S ATOM 0 H CYS A 579 0.076 -2.195 12.021 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.356 -1.549 10.614 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.296 -0.235 12.529 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.392 -1.972 12.740 1.00 0.00 H new ATOM 0 HG CYS A 579 -0.663 -0.487 14.098 1.00 0.00 H new ATOM 726 N GLY A 580 -1.488 0.796 10.363 1.00 0.00 N ATOM 727 CA GLY A 580 -0.814 2.041 10.044 1.00 0.00 C ATOM 728 C GLY A 580 -1.718 3.022 9.325 1.00 0.00 C ATOM 729 O GLY A 580 -2.919 2.787 9.190 1.00 0.00 O ATOM 0 H GLY A 580 -2.364 0.643 9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.446 2.497 10.963 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.056 1.831 9.422 1.00 0.00 H new ATOM 733 N VAL A 581 -1.142 4.127 8.863 1.00 0.00 N ATOM 734 CA VAL A 581 -1.904 5.148 8.155 1.00 0.00 C ATOM 735 C VAL A 581 -1.160 5.627 6.913 1.00 0.00 C ATOM 736 O VAL A 581 0.056 5.464 6.803 1.00 0.00 O ATOM 737 CB VAL A 581 -2.199 6.358 9.061 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.374 6.063 9.980 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.964 6.735 9.865 1.00 0.00 C ATOM 0 H VAL A 581 -0.149 4.338 8.967 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.846 4.689 7.856 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.466 7.206 8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.568 6.929 10.613 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.259 5.846 9.381 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -3.139 5.202 10.606 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -1.191 7.592 10.500 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.664 5.892 10.487 1.00 0.00 H new ATOM 0 HG23 VAL A 581 -0.152 6.992 9.185 1.00 0.00 H new ATOM 749 N VAL A 582 -1.897 6.219 5.979 1.00 0.00 N ATOM 750 CA VAL A 582 -1.307 6.723 4.745 1.00 0.00 C ATOM 751 C VAL A 582 -2.009 7.994 4.279 1.00 0.00 C ATOM 752 O VAL A 582 -3.234 8.033 4.164 1.00 0.00 O ATOM 753 CB VAL A 582 -1.374 5.672 3.621 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.811 6.238 2.326 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.630 4.409 4.028 1.00 0.00 C ATOM 0 H VAL A 582 -2.904 6.361 6.054 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.263 6.947 4.962 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.419 5.412 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.867 5.481 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.391 7.111 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.229 6.528 2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.688 3.677 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.415 4.650 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -1.083 3.994 4.928 1.00 0.00 H new ATOM 765 N LYS A 583 -1.224 9.033 4.013 1.00 0.00 N ATOM 766 CA LYS A 583 -1.768 10.306 3.558 1.00 0.00 C ATOM 767 C LYS A 583 -1.515 10.505 2.067 1.00 0.00 C ATOM 768 O LYS A 583 -0.654 9.848 1.481 1.00 0.00 O ATOM 769 CB LYS A 583 -1.150 11.461 4.350 1.00 0.00 C ATOM 770 CG LYS A 583 -1.945 11.846 5.585 1.00 0.00 C ATOM 771 CD LYS A 583 -1.496 11.060 6.806 1.00 0.00 C ATOM 772 CE LYS A 583 -0.375 11.774 7.546 1.00 0.00 C ATOM 773 NZ LYS A 583 -0.824 13.079 8.107 1.00 0.00 N ATOM 0 H LYS A 583 -0.208 9.018 4.105 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.845 10.293 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.139 11.185 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -1.062 12.331 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.829 12.913 5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -3.005 11.668 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -2.342 10.914 7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -1.158 10.070 6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -0.010 11.138 8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 583 0.461 11.939 6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -0.238 13.323 8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -0.728 13.819 7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -1.819 13.007 8.399 1.00 0.00 H new ATOM 787 N PHE A 584 -2.267 11.417 1.460 1.00 0.00 N ATOM 788 CA PHE A 584 -2.123 11.702 0.037 1.00 0.00 C ATOM 789 C PHE A 584 -2.230 13.201 -0.230 1.00 0.00 C ATOM 790 O PHE A 584 -2.681 13.963 0.624 1.00 0.00 O ATOM 791 CB PHE A 584 -3.188 10.952 -0.766 1.00 0.00 C ATOM 792 CG PHE A 584 -2.994 9.462 -0.773 1.00 0.00 C ATOM 793 CD1 PHE A 584 -2.170 8.862 -1.711 1.00 0.00 C ATOM 794 CD2 PHE A 584 -3.636 8.663 0.159 1.00 0.00 C ATOM 795 CE1 PHE A 584 -1.990 7.492 -1.720 1.00 0.00 C ATOM 796 CE2 PHE A 584 -3.459 7.292 0.155 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.636 6.706 -0.787 1.00 0.00 C ATOM 0 H PHE A 584 -2.982 11.971 1.931 1.00 0.00 H new ATOM 0 HA PHE A 584 -1.136 11.364 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -4.171 11.181 -0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -3.181 11.316 -1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -1.662 9.472 -2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -4.282 9.116 0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -1.344 7.037 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -3.964 6.680 0.888 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.498 5.635 -0.794 1.00 0.00 H new ATOM 807 N GLU A 585 -1.813 13.614 -1.423 1.00 0.00 N ATOM 808 CA GLU A 585 -1.861 15.021 -1.802 1.00 0.00 C ATOM 809 C GLU A 585 -3.303 15.501 -1.931 1.00 0.00 C ATOM 810 O GLU A 585 -3.674 16.541 -1.385 1.00 0.00 O ATOM 811 CB GLU A 585 -1.118 15.242 -3.122 1.00 0.00 C ATOM 812 CG GLU A 585 0.370 15.492 -2.948 1.00 0.00 C ATOM 813 CD GLU A 585 0.688 16.945 -2.652 1.00 0.00 C ATOM 814 OE1 GLU A 585 -0.110 17.594 -1.944 1.00 0.00 O ATOM 815 OE2 GLU A 585 1.733 17.434 -3.130 1.00 0.00 O ATOM 0 H GLU A 585 -1.439 12.995 -2.142 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.373 15.599 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.259 14.369 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.562 16.091 -3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.747 14.869 -2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.894 15.187 -3.854 1.00 0.00 H new ATOM 822 N SER A 586 -4.112 14.737 -2.657 1.00 0.00 N ATOM 823 CA SER A 586 -5.513 15.085 -2.863 1.00 0.00 C ATOM 824 C SER A 586 -6.425 14.173 -2.047 1.00 0.00 C ATOM 825 O SER A 586 -6.055 13.063 -1.666 1.00 0.00 O ATOM 826 CB SER A 586 -5.873 14.990 -4.347 1.00 0.00 C ATOM 827 OG SER A 586 -5.631 16.218 -5.010 1.00 0.00 O ATOM 0 H SER A 586 -3.821 13.872 -3.113 1.00 0.00 H new ATOM 0 HA SER A 586 -5.659 16.112 -2.527 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.289 14.199 -4.816 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.923 14.717 -4.453 1.00 0.00 H new ATOM 0 HG SER A 586 -5.867 16.131 -5.957 1.00 0.00 H new ATOM 833 N PRO A 587 -7.647 14.653 -1.772 1.00 0.00 N ATOM 834 CA PRO A 587 -8.638 13.898 -0.999 1.00 0.00 C ATOM 835 C PRO A 587 -9.176 12.694 -1.766 1.00 0.00 C ATOM 836 O PRO A 587 -9.506 11.667 -1.173 1.00 0.00 O ATOM 837 CB PRO A 587 -9.752 14.919 -0.757 1.00 0.00 C ATOM 838 CG PRO A 587 -9.624 15.893 -1.878 1.00 0.00 C ATOM 839 CD PRO A 587 -8.156 15.969 -2.194 1.00 0.00 C ATOM 0 HA PRO A 587 -8.213 13.486 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.732 14.443 -0.757 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.636 15.410 0.209 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.194 15.565 -2.747 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -10.013 16.870 -1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.982 16.145 -3.255 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.670 16.780 -1.652 1.00 0.00 H new ATOM 847 N GLU A 588 -9.262 12.829 -3.085 1.00 0.00 N ATOM 848 CA GLU A 588 -9.760 11.751 -3.932 1.00 0.00 C ATOM 849 C GLU A 588 -8.824 10.547 -3.887 1.00 0.00 C ATOM 850 O GLU A 588 -9.268 9.407 -3.750 1.00 0.00 O ATOM 851 CB GLU A 588 -9.916 12.237 -5.375 1.00 0.00 C ATOM 852 CG GLU A 588 -8.625 12.753 -5.986 1.00 0.00 C ATOM 853 CD GLU A 588 -8.815 13.275 -7.397 1.00 0.00 C ATOM 854 OE1 GLU A 588 -9.910 13.798 -7.694 1.00 0.00 O ATOM 855 OE2 GLU A 588 -7.869 13.161 -8.204 1.00 0.00 O ATOM 0 H GLU A 588 -8.994 13.673 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.735 11.445 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.296 11.418 -5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -10.664 13.029 -5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -8.224 13.549 -5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -7.886 11.952 -5.996 1.00 0.00 H new ATOM 862 N VAL A 589 -7.526 10.809 -4.004 1.00 0.00 N ATOM 863 CA VAL A 589 -6.527 9.748 -3.977 1.00 0.00 C ATOM 864 C VAL A 589 -6.573 8.983 -2.659 1.00 0.00 C ATOM 865 O VAL A 589 -6.279 7.789 -2.612 1.00 0.00 O ATOM 866 CB VAL A 589 -5.107 10.309 -4.183 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.094 9.178 -4.271 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.055 11.180 -5.429 1.00 0.00 C ATOM 0 H VAL A 589 -7.142 11.747 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.764 9.069 -4.796 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.851 10.928 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.097 9.593 -4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.115 8.598 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.344 8.531 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.045 11.568 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.331 10.586 -6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.752 12.011 -5.321 1.00 0.00 H new ATOM 878 N ALA A 590 -6.944 9.680 -1.590 1.00 0.00 N ATOM 879 CA ALA A 590 -7.031 9.067 -0.270 1.00 0.00 C ATOM 880 C ALA A 590 -8.110 7.989 -0.236 1.00 0.00 C ATOM 881 O ALA A 590 -7.863 6.866 0.201 1.00 0.00 O ATOM 882 CB ALA A 590 -7.306 10.126 0.787 1.00 0.00 C ATOM 0 H ALA A 590 -7.189 10.670 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 590 -6.074 8.593 -0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.368 9.654 1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.498 10.858 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.249 10.626 0.564 1.00 0.00 H new ATOM 888 N GLU A 591 -9.305 8.340 -0.700 1.00 0.00 N ATOM 889 CA GLU A 591 -10.421 7.402 -0.721 1.00 0.00 C ATOM 890 C GLU A 591 -10.279 6.411 -1.873 1.00 0.00 C ATOM 891 O GLU A 591 -10.832 5.313 -1.833 1.00 0.00 O ATOM 892 CB GLU A 591 -11.747 8.155 -0.842 1.00 0.00 C ATOM 893 CG GLU A 591 -12.203 8.358 -2.278 1.00 0.00 C ATOM 894 CD GLU A 591 -13.305 9.391 -2.400 1.00 0.00 C ATOM 895 OE1 GLU A 591 -14.481 9.034 -2.176 1.00 0.00 O ATOM 896 OE2 GLU A 591 -12.992 10.558 -2.718 1.00 0.00 O ATOM 0 H GLU A 591 -9.525 9.266 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.411 6.846 0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.517 7.607 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.648 9.128 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.352 8.667 -2.885 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.554 7.408 -2.681 1.00 0.00 H new ATOM 903 N ARG A 592 -9.533 6.809 -2.898 1.00 0.00 N ATOM 904 CA ARG A 592 -9.318 5.958 -4.062 1.00 0.00 C ATOM 905 C ARG A 592 -8.519 4.714 -3.687 1.00 0.00 C ATOM 906 O ARG A 592 -8.833 3.607 -4.124 1.00 0.00 O ATOM 907 CB ARG A 592 -8.588 6.734 -5.160 1.00 0.00 C ATOM 908 CG ARG A 592 -8.203 5.880 -6.357 1.00 0.00 C ATOM 909 CD ARG A 592 -7.244 6.614 -7.280 1.00 0.00 C ATOM 910 NE ARG A 592 -7.904 7.692 -8.011 1.00 0.00 N ATOM 911 CZ ARG A 592 -8.796 7.488 -8.974 1.00 0.00 C ATOM 912 NH1 ARG A 592 -9.132 6.254 -9.321 1.00 0.00 N ATOM 913 NH2 ARG A 592 -9.354 8.521 -9.593 1.00 0.00 N ATOM 0 H ARG A 592 -9.067 7.715 -2.946 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.293 5.644 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.223 7.553 -5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.688 7.182 -4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -7.741 4.955 -6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -9.100 5.601 -6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.421 7.024 -6.695 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.811 5.908 -7.989 1.00 0.00 H new ATOM 0 HE ARG A 592 -7.667 8.654 -7.769 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -8.705 5.457 -8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -9.817 6.101 -10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -9.098 9.473 -9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -10.039 8.363 -10.332 1.00 0.00 H new ATOM 927 N ALA A 593 -7.485 4.904 -2.874 1.00 0.00 N ATOM 928 CA ALA A 593 -6.642 3.798 -2.438 1.00 0.00 C ATOM 929 C ALA A 593 -7.427 2.817 -1.574 1.00 0.00 C ATOM 930 O ALA A 593 -7.130 1.622 -1.548 1.00 0.00 O ATOM 931 CB ALA A 593 -5.433 4.323 -1.678 1.00 0.00 C ATOM 0 H ALA A 593 -7.211 5.814 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.297 3.266 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.812 3.486 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.852 4.979 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.767 4.881 -0.804 1.00 0.00 H new ATOM 937 N CYS A 594 -8.429 3.329 -0.867 1.00 0.00 N ATOM 938 CA CYS A 594 -9.256 2.497 0.000 1.00 0.00 C ATOM 939 C CYS A 594 -10.091 1.519 -0.820 1.00 0.00 C ATOM 940 O CYS A 594 -10.568 0.509 -0.303 1.00 0.00 O ATOM 941 CB CYS A 594 -10.170 3.372 0.859 1.00 0.00 C ATOM 942 SG CYS A 594 -9.294 4.384 2.075 1.00 0.00 S ATOM 0 H CYS A 594 -8.688 4.316 -0.877 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.596 1.925 0.651 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.747 4.026 0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -10.883 2.733 1.380 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.863 5.470 1.506 1.00 0.00 H new ATOM 948 N ARG A 595 -10.266 1.827 -2.101 1.00 0.00 N ATOM 949 CA ARG A 595 -11.046 0.977 -2.992 1.00 0.00 C ATOM 950 C ARG A 595 -10.148 -0.023 -3.714 1.00 0.00 C ATOM 951 O ARG A 595 -10.542 -1.164 -3.954 1.00 0.00 O ATOM 952 CB ARG A 595 -11.802 1.830 -4.013 1.00 0.00 C ATOM 953 CG ARG A 595 -12.879 2.707 -3.396 1.00 0.00 C ATOM 954 CD ARG A 595 -13.431 3.703 -4.404 1.00 0.00 C ATOM 955 NE ARG A 595 -14.073 3.037 -5.535 1.00 0.00 N ATOM 956 CZ ARG A 595 -14.902 3.649 -6.373 1.00 0.00 C ATOM 957 NH1 ARG A 595 -15.189 4.933 -6.209 1.00 0.00 N ATOM 958 NH2 ARG A 595 -15.447 2.975 -7.379 1.00 0.00 N ATOM 0 H ARG A 595 -9.878 2.659 -2.545 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.765 0.423 -2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.090 2.462 -4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.260 1.174 -4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.689 2.081 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.468 3.243 -2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -14.151 4.356 -3.911 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -12.622 4.337 -4.768 1.00 0.00 H new ATOM 0 HE ARG A 595 -13.874 2.049 -5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -14.773 5.454 -5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -15.826 5.400 -6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -15.229 1.987 -7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -16.084 3.445 -8.022 1.00 0.00 H new ATOM 972 N MET A 596 -8.941 0.413 -4.056 1.00 0.00 N ATOM 973 CA MET A 596 -7.987 -0.444 -4.750 1.00 0.00 C ATOM 974 C MET A 596 -7.214 -1.310 -3.759 1.00 0.00 C ATOM 975 O MET A 596 -7.169 -2.532 -3.893 1.00 0.00 O ATOM 976 CB MET A 596 -7.014 0.401 -5.574 1.00 0.00 C ATOM 977 CG MET A 596 -7.695 1.255 -6.631 1.00 0.00 C ATOM 978 SD MET A 596 -6.643 1.557 -8.064 1.00 0.00 S ATOM 979 CE MET A 596 -5.790 3.046 -7.549 1.00 0.00 C ATOM 0 H MET A 596 -8.600 1.355 -3.864 1.00 0.00 H new ATOM 0 HA MET A 596 -8.545 -1.098 -5.420 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.450 1.049 -4.903 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.294 -0.258 -6.060 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.612 0.762 -6.955 1.00 0.00 H new ATOM 0 HG3 MET A 596 -7.985 2.209 -6.190 1.00 0.00 H new ATOM 0 HE1 MET A 596 -5.957 3.834 -8.284 1.00 0.00 H new ATOM 0 HE2 MET A 596 -6.171 3.367 -6.580 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.722 2.845 -7.470 1.00 0.00 H new ATOM 989 N MET A 597 -6.606 -0.667 -2.767 1.00 0.00 N ATOM 990 CA MET A 597 -5.836 -1.379 -1.754 1.00 0.00 C ATOM 991 C MET A 597 -6.722 -2.350 -0.980 1.00 0.00 C ATOM 992 O MET A 597 -6.517 -3.562 -1.024 1.00 0.00 O ATOM 993 CB MET A 597 -5.181 -0.388 -0.790 1.00 0.00 C ATOM 994 CG MET A 597 -4.318 0.654 -1.483 1.00 0.00 C ATOM 995 SD MET A 597 -3.420 -0.016 -2.896 1.00 0.00 S ATOM 996 CE MET A 597 -2.006 -0.752 -2.080 1.00 0.00 C ATOM 0 H MET A 597 -6.632 0.345 -2.643 1.00 0.00 H new ATOM 0 HA MET A 597 -5.058 -1.950 -2.260 1.00 0.00 H new ATOM 0 HB2 MET A 597 -5.959 0.118 -0.218 1.00 0.00 H new ATOM 0 HB3 MET A 597 -4.568 -0.939 -0.076 1.00 0.00 H new ATOM 0 HG2 MET A 597 -4.948 1.479 -1.816 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.606 1.065 -0.767 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.101 -0.218 -2.369 1.00 0.00 H new ATOM 0 HE2 MET A 597 -2.136 -0.688 -1.000 1.00 0.00 H new ATOM 0 HE3 MET A 597 -1.920 -1.798 -2.374 1.00 0.00 H new ATOM 1006 N ASN A 598 -7.707 -1.808 -0.271 1.00 0.00 N ATOM 1007 CA ASN A 598 -8.624 -2.626 0.514 1.00 0.00 C ATOM 1008 C ASN A 598 -9.037 -3.875 -0.260 1.00 0.00 C ATOM 1009 O ASN A 598 -9.500 -3.789 -1.396 1.00 0.00 O ATOM 1010 CB ASN A 598 -9.865 -1.816 0.896 1.00 0.00 C ATOM 1011 CG ASN A 598 -10.706 -2.510 1.950 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -10.513 -3.691 2.236 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.646 -1.775 2.534 1.00 0.00 N ATOM 0 H ASN A 598 -7.890 -0.806 -0.224 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.107 -2.936 1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.557 -0.838 1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.471 -1.644 0.007 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.243 -2.187 3.251 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -11.771 -0.799 2.265 1.00 0.00 H new ATOM 1020 N GLY A 599 -8.866 -5.036 0.366 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.226 -6.285 -0.278 1.00 0.00 C ATOM 1022 C GLY A 599 -8.019 -7.033 -0.809 1.00 0.00 C ATOM 1023 O GLY A 599 -8.158 -8.068 -1.460 1.00 0.00 O ATOM 0 H GLY A 599 -8.485 -5.133 1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -9.757 -6.917 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -9.914 -6.082 -1.099 1.00 0.00 H new ATOM 1027 N MET A 600 -6.830 -6.506 -0.533 1.00 0.00 N ATOM 1028 CA MET A 600 -5.593 -7.131 -0.988 1.00 0.00 C ATOM 1029 C MET A 600 -4.946 -7.936 0.134 1.00 0.00 C ATOM 1030 O MET A 600 -4.464 -7.374 1.117 1.00 0.00 O ATOM 1031 CB MET A 600 -4.618 -6.068 -1.498 1.00 0.00 C ATOM 1032 CG MET A 600 -4.135 -5.117 -0.415 1.00 0.00 C ATOM 1033 SD MET A 600 -3.316 -3.658 -1.087 1.00 0.00 S ATOM 1034 CE MET A 600 -2.380 -3.109 0.339 1.00 0.00 C ATOM 0 H MET A 600 -6.697 -5.648 0.003 1.00 0.00 H new ATOM 0 HA MET A 600 -5.837 -7.811 -1.804 1.00 0.00 H new ATOM 0 HB2 MET A 600 -3.756 -6.562 -1.947 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.101 -5.492 -2.287 1.00 0.00 H new ATOM 0 HG2 MET A 600 -4.984 -4.805 0.194 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.446 -5.644 0.245 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.462 -2.623 0.007 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.977 -2.402 0.916 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.131 -3.967 0.963 1.00 0.00 H new ATOM 1044 N LYS A 601 -4.938 -9.256 -0.020 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.350 -10.139 0.980 1.00 0.00 C ATOM 1046 C LYS A 601 -2.827 -10.129 0.886 1.00 0.00 C ATOM 1047 O LYS A 601 -2.247 -10.711 -0.032 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.872 -11.567 0.800 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.330 -11.734 1.191 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.675 -13.191 1.448 1.00 0.00 C ATOM 1051 CE LYS A 601 -7.950 -13.326 2.267 1.00 0.00 C ATOM 1052 NZ LYS A 601 -8.461 -14.724 2.271 1.00 0.00 N ATOM 0 H LYS A 601 -5.332 -9.738 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.639 -9.774 1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.748 -11.862 -0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.264 -12.246 1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.537 -11.147 2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -6.967 -11.343 0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.795 -13.711 0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.851 -13.674 1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -7.759 -13.006 3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.713 -12.661 1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -9.330 -14.774 2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -8.667 -15.021 1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -7.743 -15.355 2.680 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.185 -9.465 1.840 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.729 -9.380 1.866 1.00 0.00 C ATOM 1068 C LEU A 602 -0.120 -10.642 2.471 1.00 0.00 C ATOM 1069 O LEU A 602 -0.260 -10.899 3.666 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.284 -8.153 2.664 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.929 -6.825 2.268 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.212 -5.662 2.936 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.924 -6.660 0.755 1.00 0.00 C ATOM 0 H LEU A 602 -2.649 -8.977 2.606 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.377 -9.285 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.492 -8.335 3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.797 -8.053 2.565 1.00 0.00 H new ATOM 0 HG LEU A 602 -1.964 -6.830 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.686 -4.725 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.269 -5.773 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.833 -5.653 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.387 -5.709 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.103 -6.677 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.485 -7.476 0.298 1.00 0.00 H new ATOM 1085 N SER A 603 0.557 -11.424 1.637 1.00 0.00 N ATOM 1086 CA SER A 603 1.186 -12.660 2.088 1.00 0.00 C ATOM 1087 C SER A 603 0.165 -13.577 2.755 1.00 0.00 C ATOM 1088 O SER A 603 0.515 -14.409 3.591 1.00 0.00 O ATOM 1089 CB SER A 603 2.325 -12.351 3.062 1.00 0.00 C ATOM 1090 OG SER A 603 3.328 -13.351 3.008 1.00 0.00 O ATOM 0 H SER A 603 0.684 -11.224 0.645 1.00 0.00 H new ATOM 0 HA SER A 603 1.592 -13.172 1.216 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.761 -11.381 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.931 -12.281 4.076 1.00 0.00 H new ATOM 0 HG SER A 603 4.045 -13.130 3.638 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.100 -13.417 2.379 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.153 -14.236 2.950 1.00 0.00 C ATOM 1098 C GLY A 604 -2.829 -13.569 4.131 1.00 0.00 C ATOM 1099 O GLY A 604 -3.277 -14.243 5.060 1.00 0.00 O ATOM 0 H GLY A 604 -1.414 -12.735 1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -2.897 -14.452 2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -1.735 -15.192 3.267 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.903 -12.243 4.098 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.528 -11.485 5.176 1.00 0.00 C ATOM 1105 C ARG A 605 -4.412 -10.374 4.618 1.00 0.00 C ATOM 1106 O ARG A 605 -3.922 -9.430 4.000 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.459 -10.889 6.094 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.666 -11.932 6.864 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.111 -11.364 8.161 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.455 -12.388 8.970 1.00 0.00 N ATOM 1111 CZ ARG A 605 -0.273 -12.283 10.282 1.00 0.00 C ATOM 1112 NH1 ARG A 605 -0.696 -11.205 10.929 1.00 0.00 N ATOM 1113 NH2 ARG A 605 0.332 -13.257 10.949 1.00 0.00 N ATOM 0 H ARG A 605 -2.538 -11.671 3.337 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.153 -12.167 5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.771 -10.291 5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.937 -10.212 6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.305 -12.787 7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.846 -12.297 6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.399 -10.570 7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.920 -10.912 8.735 1.00 0.00 H new ATOM 0 HE ARG A 605 -0.118 -13.230 8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -1.162 -10.454 10.419 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -0.555 -11.127 11.936 1.00 0.00 H new ATOM 0 HH21 ARG A 605 0.658 -14.088 10.455 1.00 0.00 H new ATOM 0 HH22 ARG A 605 0.471 -13.175 11.956 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.717 -10.495 4.841 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.669 -9.501 4.359 1.00 0.00 C ATOM 1129 C GLU A 606 -6.571 -8.214 5.172 1.00 0.00 C ATOM 1130 O GLU A 606 -6.324 -8.247 6.378 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.095 -10.053 4.427 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.001 -9.535 3.323 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.453 -9.452 3.751 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -11.152 -10.485 3.685 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -10.891 -8.354 4.153 1.00 0.00 O ATOM 0 H GLU A 606 -6.139 -11.271 5.352 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.424 -9.274 3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.057 -11.141 4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.530 -9.796 5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.661 -8.547 3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -8.919 -10.188 2.454 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.764 -7.082 4.504 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.698 -5.784 5.164 1.00 0.00 C ATOM 1144 C ILE A 607 -7.901 -4.921 4.801 1.00 0.00 C ATOM 1145 O ILE A 607 -8.465 -5.049 3.714 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.408 -5.029 4.794 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.166 -5.099 3.284 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.221 -5.604 5.553 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.869 -4.453 2.850 1.00 0.00 C ATOM 0 H ILE A 607 -6.967 -7.037 3.505 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.702 -5.975 6.237 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.523 -3.983 5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.164 -6.144 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -5.995 -4.614 2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.317 -5.060 5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.393 -5.508 6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.101 -6.657 5.298 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.763 -4.540 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.875 -3.400 3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.032 -4.953 3.338 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.288 -4.040 5.717 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.423 -3.152 5.493 1.00 0.00 C ATOM 1163 C ASP A 608 -8.976 -1.694 5.470 1.00 0.00 C ATOM 1164 O ASP A 608 -8.778 -1.078 6.517 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.481 -3.357 6.578 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.489 -4.428 6.209 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -11.791 -4.569 5.006 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.975 -5.125 7.124 1.00 0.00 O ATOM 0 H ASP A 608 -7.832 -3.922 6.622 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.857 -3.396 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -9.991 -3.630 7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -11.003 -2.417 6.755 1.00 0.00 H new ATOM 1173 N VAL A 609 -8.818 -1.147 4.269 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.394 0.238 4.109 1.00 0.00 C ATOM 1175 C VAL A 609 -9.595 1.171 3.997 1.00 0.00 C ATOM 1176 O VAL A 609 -10.469 0.974 3.153 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.503 0.413 2.865 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -6.829 1.776 2.878 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.471 -0.701 2.788 1.00 0.00 C ATOM 0 H VAL A 609 -8.978 -1.643 3.392 1.00 0.00 H new ATOM 0 HA VAL A 609 -7.818 0.497 4.997 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.133 0.355 1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.204 1.881 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.589 2.558 2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.211 1.868 3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -5.850 -0.561 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -5.843 -0.678 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -6.979 -1.664 2.727 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.630 2.187 4.852 1.00 0.00 N ATOM 1190 CA ARG A 610 -10.724 3.151 4.850 1.00 0.00 C ATOM 1191 C ARG A 610 -10.212 4.556 5.154 1.00 0.00 C ATOM 1192 O ARG A 610 -9.052 4.737 5.523 1.00 0.00 O ATOM 1193 CB ARG A 610 -11.787 2.750 5.875 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.513 1.461 5.527 1.00 0.00 C ATOM 1195 CD ARG A 610 -11.791 0.246 6.087 1.00 0.00 C ATOM 1196 NE ARG A 610 -12.704 -0.866 6.339 1.00 0.00 N ATOM 1197 CZ ARG A 610 -13.692 -0.819 7.224 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -13.895 0.279 7.939 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -14.481 -1.872 7.396 1.00 0.00 N ATOM 0 H ARG A 610 -8.913 2.364 5.556 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.171 3.154 3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.315 2.639 6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.516 3.555 5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -13.528 1.496 5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.595 1.370 4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -11.018 -0.071 5.387 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -11.288 0.519 7.015 1.00 0.00 H new ATOM 0 HE ARG A 610 -12.575 -1.726 5.806 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -13.291 1.091 7.810 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -14.655 0.312 8.618 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -14.328 -2.719 6.848 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -15.240 -1.835 8.076 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.085 5.545 4.996 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.722 6.932 5.255 1.00 0.00 C ATOM 1215 C ILE A 611 -10.757 7.241 6.748 1.00 0.00 C ATOM 1216 O ILE A 611 -11.620 6.748 7.474 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.660 7.907 4.518 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.529 7.728 3.004 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.351 9.342 4.916 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.136 7.998 2.481 1.00 0.00 C ATOM 0 H ILE A 611 -12.049 5.411 4.690 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.706 7.066 4.883 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.688 7.685 4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.816 6.710 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.231 8.396 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.022 10.019 4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.490 9.460 5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.319 9.578 4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.118 7.852 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -9.853 9.025 2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.431 7.312 2.952 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.815 8.062 7.199 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.740 8.440 8.605 1.00 0.00 C ATOM 1234 C ASP A 612 -9.850 9.952 8.768 1.00 0.00 C ATOM 1235 O ASP A 612 -8.896 10.686 8.506 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.431 7.942 9.220 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.535 7.738 10.718 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -9.402 6.949 11.151 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -7.750 8.366 11.458 1.00 0.00 O ATOM 0 H ASP A 612 -9.093 8.478 6.611 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.577 7.975 9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -8.146 7.002 8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.638 8.659 9.008 1.00 0.00 H new