USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=14 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 137:sc= -3.49 (180deg=-6.28!) USER MOD Set 1.2: A 600 MET CE :methyl 136:sc= -9.76! (180deg=-15.2!) USER MOD Set 2.1: A 561 CYS SG : rot 108:sc= -0.367 USER MOD Set 2.2: A 596 MET CE :methyl 137:sc= -1.87 (180deg=-1.5) USER MOD Single : A 544 ASN : amide:sc= -2.11! X(o=-2.1!,f=-2.1) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 553 MET CE :methyl -152:sc= -0.313 (180deg=-1.23) USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 ASN : amide:sc= -3.68! C(o=-3.7!,f=-7.2!) USER MOD Single : A 563 HIS :FLIP no HD1:sc= -0.194 F(o=-1,f=-0.19) USER MOD Single : A 566 TYR OH : rot 180:sc= 0 USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 LYS NZ :NH3+ 136:sc= -2.28! (180deg=-3.55!) USER MOD Single : A 579 CYS SG : rot 180:sc= -1.87 USER MOD Single : A 583 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.031) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 68:sc= -0.36 USER MOD Single : A 598 ASN : amide:sc= -1.17 K(o=-1.2,f=-7.8!) 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 -5.704 11.123 4.708 1.00 0.00 N ATOM 60 CA GLY A 539 -5.042 10.214 5.625 1.00 0.00 C ATOM 61 C GLY A 539 -5.861 8.968 5.898 1.00 0.00 C ATOM 62 O GLY A 539 -6.689 8.950 6.810 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.075 9.926 5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.846 10.730 6.565 1.00 0.00 H new ATOM 66 N ILE A 540 -5.632 7.926 5.107 1.00 0.00 N ATOM 67 CA ILE A 540 -6.356 6.671 5.268 1.00 0.00 C ATOM 68 C ILE A 540 -5.716 5.802 6.345 1.00 0.00 C ATOM 69 O ILE A 540 -4.601 6.069 6.792 1.00 0.00 O ATOM 70 CB ILE A 540 -6.409 5.879 3.949 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.086 5.147 3.714 1.00 0.00 C ATOM 72 CG2 ILE A 540 -6.721 6.808 2.785 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.024 4.421 2.389 1.00 0.00 C ATOM 0 H ILE A 540 -4.951 7.926 4.348 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.372 6.928 5.568 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.205 5.138 4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.268 5.866 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.929 4.430 4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -6.755 6.233 1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -7.686 7.287 2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -5.946 7.570 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.058 3.925 2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -5.820 3.678 2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.149 5.136 1.576 1.00 0.00 H new ATOM 85 N PHE A 541 -6.429 4.759 6.757 1.00 0.00 N ATOM 86 CA PHE A 541 -5.931 3.849 7.781 1.00 0.00 C ATOM 87 C PHE A 541 -6.014 2.400 7.309 1.00 0.00 C ATOM 88 O PHE A 541 -6.901 2.037 6.536 1.00 0.00 O ATOM 89 CB PHE A 541 -6.726 4.021 9.077 1.00 0.00 C ATOM 90 CG PHE A 541 -5.969 3.603 10.305 1.00 0.00 C ATOM 91 CD1 PHE A 541 -5.869 2.265 10.651 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.358 4.547 11.113 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.173 1.876 11.781 1.00 0.00 C ATOM 94 CE2 PHE A 541 -4.660 4.165 12.243 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.568 2.828 12.578 1.00 0.00 C ATOM 0 H PHE A 541 -7.354 4.523 6.397 1.00 0.00 H new ATOM 0 HA PHE A 541 -4.885 4.092 7.969 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.018 5.066 9.178 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.645 3.438 9.010 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.340 1.517 10.031 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.428 5.594 10.857 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.103 0.830 12.040 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.187 4.911 12.864 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.024 2.528 13.461 1.00 0.00 H new ATOM 105 N VAL A 542 -5.083 1.576 7.778 1.00 0.00 N ATOM 106 CA VAL A 542 -5.050 0.167 7.405 1.00 0.00 C ATOM 107 C VAL A 542 -4.894 -0.723 8.633 1.00 0.00 C ATOM 108 O VAL A 542 -4.225 -0.355 9.599 1.00 0.00 O ATOM 109 CB VAL A 542 -3.900 -0.126 6.423 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.035 -1.528 5.847 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.870 0.914 5.313 1.00 0.00 C ATOM 0 H VAL A 542 -4.341 1.860 8.418 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.000 -0.054 6.918 1.00 0.00 H new ATOM 0 HB VAL A 542 -2.957 -0.071 6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.214 -1.718 5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.004 -2.258 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -4.983 -1.614 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.052 0.692 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.814 0.893 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.723 1.904 5.746 1.00 0.00 H new ATOM 121 N ARG A 543 -5.516 -1.897 8.589 1.00 0.00 N ATOM 122 CA ARG A 543 -5.447 -2.840 9.698 1.00 0.00 C ATOM 123 C ARG A 543 -5.262 -4.266 9.188 1.00 0.00 C ATOM 124 O ARG A 543 -5.591 -4.574 8.044 1.00 0.00 O ATOM 125 CB ARG A 543 -6.715 -2.752 10.550 1.00 0.00 C ATOM 126 CG ARG A 543 -6.642 -1.699 11.643 1.00 0.00 C ATOM 127 CD ARG A 543 -7.559 -2.041 12.808 1.00 0.00 C ATOM 128 NE ARG A 543 -7.128 -1.404 14.049 1.00 0.00 N ATOM 129 CZ ARG A 543 -7.618 -1.716 15.244 1.00 0.00 C ATOM 130 NH1 ARG A 543 -8.551 -2.651 15.358 1.00 0.00 N ATOM 131 NH2 ARG A 543 -7.175 -1.092 16.327 1.00 0.00 N ATOM 0 H ARG A 543 -6.073 -2.217 7.797 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.586 -2.577 10.312 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.564 -2.533 9.902 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -6.905 -3.724 11.006 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.615 -1.613 11.999 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.919 -0.728 11.233 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -8.576 -1.726 12.573 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -7.583 -3.122 12.945 1.00 0.00 H new ATOM 0 HE ARG A 543 -6.412 -0.680 13.996 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -8.894 -3.133 14.527 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -8.925 -2.889 16.277 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -6.458 -0.372 16.243 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -7.552 -1.332 17.244 1.00 0.00 H new ATOM 145 N ASN A 544 -4.732 -5.132 10.047 1.00 0.00 N ATOM 146 CA ASN A 544 -4.502 -6.525 9.683 1.00 0.00 C ATOM 147 C ASN A 544 -3.340 -6.646 8.701 1.00 0.00 C ATOM 148 O ASN A 544 -3.403 -7.414 7.740 1.00 0.00 O ATOM 149 CB ASN A 544 -5.767 -7.130 9.071 1.00 0.00 C ATOM 150 CG ASN A 544 -5.767 -8.646 9.122 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.379 -9.247 10.005 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.079 -9.270 8.174 1.00 0.00 N ATOM 0 H ASN A 544 -4.454 -4.893 10.999 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.247 -7.074 10.590 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.641 -6.752 9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.857 -6.804 8.035 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.042 -10.289 8.157 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.587 -8.730 7.462 1.00 0.00 H new ATOM 159 N LEU A 545 -2.281 -5.884 8.950 1.00 0.00 N ATOM 160 CA LEU A 545 -1.104 -5.906 8.088 1.00 0.00 C ATOM 161 C LEU A 545 -0.098 -6.948 8.567 1.00 0.00 C ATOM 162 O LEU A 545 0.112 -7.139 9.765 1.00 0.00 O ATOM 163 CB LEU A 545 -0.447 -4.525 8.054 1.00 0.00 C ATOM 164 CG LEU A 545 -1.136 -3.476 7.179 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.715 -2.075 7.595 1.00 0.00 C ATOM 166 CD2 LEU A 545 -0.819 -3.716 5.710 1.00 0.00 C ATOM 0 H LEU A 545 -2.213 -5.244 9.741 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.426 -6.174 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.397 -4.143 9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.580 -4.641 7.707 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.214 -3.566 7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.215 -1.342 6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -0.993 -1.905 8.635 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.365 -1.972 7.486 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.317 -2.961 5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 545 0.258 -3.654 5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.171 -4.706 5.419 1.00 0.00 H new ATOM 178 N PRO A 546 0.541 -7.638 7.611 1.00 0.00 N ATOM 179 CA PRO A 546 1.537 -8.670 7.911 1.00 0.00 C ATOM 180 C PRO A 546 2.823 -8.085 8.484 1.00 0.00 C ATOM 181 O PRO A 546 3.374 -7.124 7.946 1.00 0.00 O ATOM 182 CB PRO A 546 1.804 -9.313 6.547 1.00 0.00 C ATOM 183 CG PRO A 546 1.466 -8.253 5.556 1.00 0.00 C ATOM 184 CD PRO A 546 0.339 -7.463 6.163 1.00 0.00 C ATOM 0 HA PRO A 546 1.182 -9.371 8.666 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.844 -9.625 6.453 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.190 -10.202 6.401 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.327 -7.615 5.358 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.167 -8.690 4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.384 -6.413 5.875 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.633 -7.840 5.844 1.00 0.00 H new ATOM 192 N PHE A 547 3.297 -8.670 9.579 1.00 0.00 N ATOM 193 CA PHE A 547 4.519 -8.206 10.226 1.00 0.00 C ATOM 194 C PHE A 547 5.522 -7.699 9.194 1.00 0.00 C ATOM 195 O PHE A 547 5.867 -6.517 9.176 1.00 0.00 O ATOM 196 CB PHE A 547 5.145 -9.333 11.050 1.00 0.00 C ATOM 197 CG PHE A 547 4.212 -9.918 12.071 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.547 -9.100 12.971 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.999 -11.286 12.132 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.688 -9.635 13.912 1.00 0.00 C ATOM 201 CE2 PHE A 547 3.141 -11.827 13.070 1.00 0.00 C ATOM 202 CZ PHE A 547 2.485 -11.000 13.962 1.00 0.00 C ATOM 0 H PHE A 547 2.854 -9.466 10.037 1.00 0.00 H new ATOM 0 HA PHE A 547 4.258 -7.382 10.890 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.476 -10.124 10.377 1.00 0.00 H new ATOM 0 HB3 PHE A 547 6.032 -8.953 11.556 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.702 -8.032 12.936 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.510 -11.937 11.438 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.176 -8.986 14.607 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.983 -12.895 13.106 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.815 -11.421 14.697 1.00 0.00 H new ATOM 212 N ASP A 548 5.987 -8.600 8.336 1.00 0.00 N ATOM 213 CA ASP A 548 6.949 -8.245 7.300 1.00 0.00 C ATOM 214 C ASP A 548 6.702 -6.829 6.790 1.00 0.00 C ATOM 215 O ASP A 548 7.640 -6.058 6.587 1.00 0.00 O ATOM 216 CB ASP A 548 6.872 -9.239 6.140 1.00 0.00 C ATOM 217 CG ASP A 548 7.891 -8.944 5.056 1.00 0.00 C ATOM 218 OD1 ASP A 548 9.019 -9.474 5.142 1.00 0.00 O ATOM 219 OD2 ASP A 548 7.560 -8.184 4.122 1.00 0.00 O ATOM 0 H ASP A 548 5.713 -9.582 8.338 1.00 0.00 H new ATOM 0 HA ASP A 548 7.947 -8.285 7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 548 7.031 -10.248 6.519 1.00 0.00 H new ATOM 0 HB3 ASP A 548 5.871 -9.214 5.710 1.00 0.00 H new ATOM 224 N PHE A 549 5.432 -6.493 6.584 1.00 0.00 N ATOM 225 CA PHE A 549 5.061 -5.170 6.096 1.00 0.00 C ATOM 226 C PHE A 549 5.806 -4.080 6.860 1.00 0.00 C ATOM 227 O PHE A 549 5.540 -3.838 8.038 1.00 0.00 O ATOM 228 CB PHE A 549 3.551 -4.960 6.227 1.00 0.00 C ATOM 229 CG PHE A 549 2.980 -4.045 5.182 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.622 -4.533 3.936 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.802 -2.696 5.446 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.097 -3.692 2.972 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.278 -1.851 4.487 1.00 0.00 C ATOM 234 CZ PHE A 549 1.924 -2.350 3.248 1.00 0.00 C ATOM 0 H PHE A 549 4.643 -7.119 6.748 1.00 0.00 H new ATOM 0 HA PHE A 549 5.340 -5.107 5.044 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.051 -5.927 6.164 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.333 -4.552 7.214 1.00 0.00 H new ATOM 0 HD1 PHE A 549 2.754 -5.582 3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 549 3.076 -2.301 6.413 1.00 0.00 H new ATOM 0 HE1 PHE A 549 1.822 -4.084 2.004 1.00 0.00 H new ATOM 0 HE2 PHE A 549 2.145 -0.802 4.705 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.513 -1.692 2.497 1.00 0.00 H new ATOM 244 N THR A 550 6.741 -3.423 6.181 1.00 0.00 N ATOM 245 CA THR A 550 7.527 -2.360 6.795 1.00 0.00 C ATOM 246 C THR A 550 7.100 -0.991 6.276 1.00 0.00 C ATOM 247 O THR A 550 6.598 -0.870 5.159 1.00 0.00 O ATOM 248 CB THR A 550 9.032 -2.549 6.532 1.00 0.00 C ATOM 249 OG1 THR A 550 9.254 -2.851 5.150 1.00 0.00 O ATOM 250 CG2 THR A 550 9.597 -3.666 7.396 1.00 0.00 C ATOM 0 H THR A 550 6.972 -3.609 5.205 1.00 0.00 H new ATOM 0 HA THR A 550 7.345 -2.413 7.868 1.00 0.00 H new ATOM 0 HB THR A 550 9.542 -1.620 6.788 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.214 -2.968 4.991 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.662 -3.781 7.192 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.453 -3.420 8.448 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.082 -4.599 7.168 1.00 0.00 H new ATOM 258 N TRP A 551 7.303 0.036 7.093 1.00 0.00 N ATOM 259 CA TRP A 551 6.939 1.397 6.715 1.00 0.00 C ATOM 260 C TRP A 551 7.144 1.619 5.221 1.00 0.00 C ATOM 261 O TRP A 551 6.274 2.161 4.539 1.00 0.00 O ATOM 262 CB TRP A 551 7.765 2.407 7.512 1.00 0.00 C ATOM 263 CG TRP A 551 9.223 2.386 7.167 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.178 1.561 7.689 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.893 3.231 6.224 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.400 1.841 7.128 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.252 2.861 6.226 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.477 4.262 5.378 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.195 3.487 5.414 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.414 4.882 4.573 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.759 4.493 4.596 1.00 0.00 C ATOM 0 H TRP A 551 7.718 -0.047 8.021 1.00 0.00 H new ATOM 0 HA TRP A 551 5.883 1.542 6.943 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.371 3.408 7.335 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.648 2.202 8.576 1.00 0.00 H new ATOM 0 HD1 TRP A 551 9.999 0.800 8.434 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.276 1.366 7.348 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.442 4.569 5.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.233 3.189 5.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.104 5.680 3.915 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.467 4.998 3.955 1.00 0.00 H new ATOM 282 N LYS A 552 8.298 1.198 4.717 1.00 0.00 N ATOM 283 CA LYS A 552 8.617 1.350 3.302 1.00 0.00 C ATOM 284 C LYS A 552 7.449 0.902 2.430 1.00 0.00 C ATOM 285 O LYS A 552 6.982 1.649 1.571 1.00 0.00 O ATOM 286 CB LYS A 552 9.869 0.543 2.951 1.00 0.00 C ATOM 287 CG LYS A 552 11.163 1.321 3.121 1.00 0.00 C ATOM 288 CD LYS A 552 11.218 2.521 2.192 1.00 0.00 C ATOM 289 CE LYS A 552 12.648 2.855 1.797 1.00 0.00 C ATOM 290 NZ LYS A 552 13.109 2.039 0.640 1.00 0.00 N ATOM 0 H LYS A 552 9.029 0.748 5.268 1.00 0.00 H new ATOM 0 HA LYS A 552 8.807 2.406 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 552 9.905 -0.347 3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 552 9.793 0.202 1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.254 1.655 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 552 12.011 0.666 2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 552 10.630 2.317 1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 552 10.764 3.383 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 552 12.717 3.913 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 552 13.309 2.685 2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 14.088 2.297 0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 13.067 1.030 0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 12.494 2.220 -0.179 1.00 0.00 H new ATOM 304 N MET A 553 6.982 -0.321 2.658 1.00 0.00 N ATOM 305 CA MET A 553 5.866 -0.867 1.893 1.00 0.00 C ATOM 306 C MET A 553 4.661 0.068 1.948 1.00 0.00 C ATOM 307 O MET A 553 4.217 0.585 0.922 1.00 0.00 O ATOM 308 CB MET A 553 5.480 -2.247 2.429 1.00 0.00 C ATOM 309 CG MET A 553 6.643 -3.224 2.483 1.00 0.00 C ATOM 310 SD MET A 553 6.875 -4.114 0.932 1.00 0.00 S ATOM 311 CE MET A 553 5.333 -5.020 0.827 1.00 0.00 C ATOM 0 H MET A 553 7.358 -0.952 3.365 1.00 0.00 H new ATOM 0 HA MET A 553 6.182 -0.964 0.854 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.063 -2.136 3.430 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.694 -2.665 1.801 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.557 -2.682 2.727 1.00 0.00 H new ATOM 0 HG3 MET A 553 6.474 -3.941 3.287 1.00 0.00 H new ATOM 0 HE1 MET A 553 5.489 -5.939 0.262 1.00 0.00 H new ATOM 0 HE2 MET A 553 4.986 -5.266 1.831 1.00 0.00 H new ATOM 0 HE3 MET A 553 4.585 -4.407 0.324 1.00 0.00 H new ATOM 321 N LEU A 554 4.136 0.280 3.150 1.00 0.00 N ATOM 322 CA LEU A 554 2.982 1.152 3.338 1.00 0.00 C ATOM 323 C LEU A 554 3.053 2.357 2.405 1.00 0.00 C ATOM 324 O LEU A 554 2.034 2.821 1.894 1.00 0.00 O ATOM 325 CB LEU A 554 2.905 1.621 4.791 1.00 0.00 C ATOM 326 CG LEU A 554 1.557 2.187 5.243 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.509 1.087 5.299 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.692 2.867 6.597 1.00 0.00 C ATOM 0 H LEU A 554 4.491 -0.140 4.009 1.00 0.00 H new ATOM 0 HA LEU A 554 2.084 0.583 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.159 0.781 5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.668 2.384 4.946 1.00 0.00 H new ATOM 0 HG LEU A 554 1.234 2.932 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.443 1.508 5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.393 0.644 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.825 0.319 6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.724 3.264 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 554 2.037 2.143 7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.412 3.682 6.525 1.00 0.00 H new ATOM 340 N LYS A 555 4.264 2.859 2.186 1.00 0.00 N ATOM 341 CA LYS A 555 4.470 4.008 1.313 1.00 0.00 C ATOM 342 C LYS A 555 4.504 3.579 -0.151 1.00 0.00 C ATOM 343 O LYS A 555 3.697 4.037 -0.960 1.00 0.00 O ATOM 344 CB LYS A 555 5.772 4.724 1.676 1.00 0.00 C ATOM 345 CG LYS A 555 6.152 5.827 0.703 1.00 0.00 C ATOM 346 CD LYS A 555 7.658 6.017 0.635 1.00 0.00 C ATOM 347 CE LYS A 555 8.023 7.429 0.206 1.00 0.00 C ATOM 348 NZ LYS A 555 9.439 7.759 0.531 1.00 0.00 N ATOM 0 H LYS A 555 5.118 2.487 2.602 1.00 0.00 H new ATOM 0 HA LYS A 555 3.635 4.694 1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.676 5.149 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.580 3.993 1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.770 5.586 -0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.680 6.761 1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.097 5.807 1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 555 8.085 5.301 -0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.862 7.536 -0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 555 7.362 8.141 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 9.649 8.730 0.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 9.587 7.682 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 10.072 7.096 0.040 1.00 0.00 H new ATOM 362 N ASP A 556 5.441 2.698 -0.483 1.00 0.00 N ATOM 363 CA ASP A 556 5.578 2.206 -1.848 1.00 0.00 C ATOM 364 C ASP A 556 4.336 1.427 -2.273 1.00 0.00 C ATOM 365 O ASP A 556 3.608 1.843 -3.174 1.00 0.00 O ATOM 366 CB ASP A 556 6.818 1.319 -1.971 1.00 0.00 C ATOM 367 CG ASP A 556 7.287 1.175 -3.406 1.00 0.00 C ATOM 368 OD1 ASP A 556 8.067 2.037 -3.864 1.00 0.00 O ATOM 369 OD2 ASP A 556 6.876 0.201 -4.070 1.00 0.00 O ATOM 0 H ASP A 556 6.117 2.310 0.175 1.00 0.00 H new ATOM 0 HA ASP A 556 5.689 3.066 -2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.623 1.740 -1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.597 0.333 -1.563 1.00 0.00 H new ATOM 374 N LYS A 557 4.101 0.296 -1.618 1.00 0.00 N ATOM 375 CA LYS A 557 2.948 -0.542 -1.926 1.00 0.00 C ATOM 376 C LYS A 557 1.736 0.312 -2.285 1.00 0.00 C ATOM 377 O LYS A 557 0.933 -0.062 -3.140 1.00 0.00 O ATOM 378 CB LYS A 557 2.616 -1.445 -0.736 1.00 0.00 C ATOM 379 CG LYS A 557 1.245 -2.092 -0.828 1.00 0.00 C ATOM 380 CD LYS A 557 1.099 -2.910 -2.100 1.00 0.00 C ATOM 381 CE LYS A 557 1.558 -4.346 -1.896 1.00 0.00 C ATOM 382 NZ LYS A 557 1.862 -5.020 -3.188 1.00 0.00 N ATOM 0 H LYS A 557 4.694 -0.062 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 557 3.200 -1.163 -2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.373 -2.226 -0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.671 -0.858 0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.086 -2.734 0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.475 -1.321 -0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.057 -2.902 -2.421 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.682 -2.451 -2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.445 -4.357 -1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.784 -4.903 -1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.171 -5.996 -3.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.009 -5.032 -3.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.619 -4.503 -3.680 1.00 0.00 H new ATOM 396 N PHE A 558 1.611 1.459 -1.626 1.00 0.00 N ATOM 397 CA PHE A 558 0.496 2.366 -1.877 1.00 0.00 C ATOM 398 C PHE A 558 0.829 3.338 -3.005 1.00 0.00 C ATOM 399 O PHE A 558 -0.035 3.697 -3.804 1.00 0.00 O ATOM 400 CB PHE A 558 0.148 3.143 -0.605 1.00 0.00 C ATOM 401 CG PHE A 558 -0.609 2.330 0.405 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.132 1.097 0.821 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.799 2.798 0.940 1.00 0.00 C ATOM 404 CE1 PHE A 558 -0.827 0.347 1.750 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.498 2.052 1.870 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.011 0.825 2.276 1.00 0.00 C ATOM 0 H PHE A 558 2.267 1.783 -0.915 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.365 1.769 -2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 558 1.068 3.509 -0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.445 4.018 -0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.794 0.718 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.184 3.757 0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.445 -0.613 2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.424 2.428 2.279 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.555 0.241 3.003 1.00 0.00 H new ATOM 416 N ASN A 559 2.088 3.760 -3.062 1.00 0.00 N ATOM 417 CA ASN A 559 2.536 4.692 -4.091 1.00 0.00 C ATOM 418 C ASN A 559 1.947 4.325 -5.450 1.00 0.00 C ATOM 419 O ASN A 559 1.828 5.172 -6.334 1.00 0.00 O ATOM 420 CB ASN A 559 4.064 4.701 -4.170 1.00 0.00 C ATOM 421 CG ASN A 559 4.684 5.728 -3.243 1.00 0.00 C ATOM 422 OD1 ASN A 559 5.581 5.412 -2.460 1.00 0.00 O ATOM 423 ND2 ASN A 559 4.209 6.965 -3.327 1.00 0.00 N ATOM 0 H ASN A 559 2.816 3.472 -2.408 1.00 0.00 H new ATOM 0 HA ASN A 559 2.187 5.689 -3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.444 3.711 -3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.371 4.908 -5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 559 4.588 7.699 -2.728 1.00 0.00 H new ATOM 0 HD22 ASN A 559 3.465 7.182 -3.990 1.00 0.00 H new ATOM 430 N GLU A 560 1.581 3.057 -5.608 1.00 0.00 N ATOM 431 CA GLU A 560 1.006 2.578 -6.859 1.00 0.00 C ATOM 432 C GLU A 560 -0.239 3.381 -7.227 1.00 0.00 C ATOM 433 O GLU A 560 -0.405 3.797 -8.375 1.00 0.00 O ATOM 434 CB GLU A 560 0.654 1.093 -6.750 1.00 0.00 C ATOM 435 CG GLU A 560 1.860 0.174 -6.839 1.00 0.00 C ATOM 436 CD GLU A 560 1.510 -1.276 -6.565 1.00 0.00 C ATOM 437 OE1 GLU A 560 0.605 -1.805 -7.244 1.00 0.00 O ATOM 438 OE2 GLU A 560 2.141 -1.881 -5.674 1.00 0.00 O ATOM 0 H GLU A 560 1.673 2.343 -4.885 1.00 0.00 H new ATOM 0 HA GLU A 560 1.750 2.710 -7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.143 0.918 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 560 -0.048 0.835 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 560 2.302 0.256 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.616 0.502 -6.126 1.00 0.00 H new ATOM 445 N CYS A 561 -1.110 3.594 -6.247 1.00 0.00 N ATOM 446 CA CYS A 561 -2.340 4.345 -6.467 1.00 0.00 C ATOM 447 C CYS A 561 -2.037 5.810 -6.766 1.00 0.00 C ATOM 448 O CYS A 561 -2.513 6.364 -7.756 1.00 0.00 O ATOM 449 CB CYS A 561 -3.253 4.240 -5.245 1.00 0.00 C ATOM 450 SG CYS A 561 -3.924 2.585 -4.966 1.00 0.00 S ATOM 0 H CYS A 561 -0.987 3.257 -5.292 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.849 3.915 -7.329 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -2.695 4.548 -4.361 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -4.080 4.941 -5.361 1.00 0.00 H new ATOM 0 HG CYS A 561 -3.349 2.053 -3.929 1.00 0.00 H new ATOM 456 N GLY A 562 -1.242 6.433 -5.901 1.00 0.00 N ATOM 457 CA GLY A 562 -0.890 7.828 -6.088 1.00 0.00 C ATOM 458 C GLY A 562 0.414 8.194 -5.408 1.00 0.00 C ATOM 459 O GLY A 562 1.373 7.420 -5.430 1.00 0.00 O ATOM 0 H GLY A 562 -0.836 5.996 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -0.812 8.040 -7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.689 8.457 -5.696 1.00 0.00 H new ATOM 463 N HIS A 563 0.453 9.376 -4.802 1.00 0.00 N ATOM 464 CA HIS A 563 1.651 9.844 -4.113 1.00 0.00 C ATOM 465 C HIS A 563 1.473 9.764 -2.600 1.00 0.00 C ATOM 466 O HIS A 563 0.537 10.339 -2.043 1.00 0.00 O ATOM 467 CB HIS A 563 1.974 11.280 -4.525 1.00 0.00 C ATOM 468 CG HIS A 563 3.293 11.768 -4.010 1.00 0.00 C ATOM 469 ND1 HIS A 563 3.791 11.813 -2.752 1.00 0.00 N flip ATOM 470 CD2 HIS A 563 4.273 12.291 -4.828 1.00 0.00 C flip ATOM 471 CE1 HIS A 563 5.050 12.355 -2.832 1.00 0.00 C flip ATOM 472 NE2 HIS A 563 5.318 12.634 -4.095 1.00 0.00 N flip ATOM 0 H HIS A 563 -0.331 10.028 -4.774 1.00 0.00 H new ATOM 0 HA HIS A 563 2.481 9.197 -4.399 1.00 0.00 H new ATOM 0 HB2 HIS A 563 1.971 11.347 -5.613 1.00 0.00 H new ATOM 0 HB3 HIS A 563 1.185 11.939 -4.163 1.00 0.00 H new ATOM 0 HD2 HIS A 563 4.198 12.403 -5.900 1.00 0.00 H new ATOM 0 HE1 HIS A 563 5.714 12.526 -1.997 1.00 0.00 H new ATOM 0 HE2 HIS A 563 6.184 13.044 -4.445 1.00 0.00 H new ATOM 481 N VAL A 564 2.376 9.046 -1.940 1.00 0.00 N ATOM 482 CA VAL A 564 2.319 8.891 -0.491 1.00 0.00 C ATOM 483 C VAL A 564 3.146 9.964 0.209 1.00 0.00 C ATOM 484 O VAL A 564 4.353 10.073 -0.007 1.00 0.00 O ATOM 485 CB VAL A 564 2.825 7.503 -0.055 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.893 7.412 1.462 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.934 6.409 -0.623 1.00 0.00 C ATOM 0 H VAL A 564 3.156 8.562 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 564 1.273 8.996 -0.202 1.00 0.00 H new ATOM 0 HB VAL A 564 3.831 7.362 -0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.252 6.425 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.575 8.172 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 564 1.900 7.574 1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.306 5.435 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 564 0.915 6.544 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.941 6.462 -1.712 1.00 0.00 H new ATOM 497 N LEU A 565 2.488 10.754 1.050 1.00 0.00 N ATOM 498 CA LEU A 565 3.161 11.820 1.785 1.00 0.00 C ATOM 499 C LEU A 565 3.644 11.324 3.144 1.00 0.00 C ATOM 500 O LEU A 565 4.781 11.579 3.541 1.00 0.00 O ATOM 501 CB LEU A 565 2.221 13.012 1.969 1.00 0.00 C ATOM 502 CG LEU A 565 1.700 13.661 0.686 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.642 14.704 1.007 1.00 0.00 C ATOM 504 CD2 LEU A 565 2.845 14.284 -0.100 1.00 0.00 C ATOM 0 H LEU A 565 1.489 10.677 1.240 1.00 0.00 H new ATOM 0 HA LEU A 565 4.028 12.136 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.366 12.686 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.741 13.772 2.552 1.00 0.00 H new ATOM 0 HG LEU A 565 1.242 12.887 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.283 15.155 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.191 14.230 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.074 15.476 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.456 14.741 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.332 15.046 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.568 13.512 -0.363 1.00 0.00 H new ATOM 516 N TYR A 566 2.774 10.612 3.851 1.00 0.00 N ATOM 517 CA TYR A 566 3.111 10.079 5.166 1.00 0.00 C ATOM 518 C TYR A 566 2.800 8.588 5.246 1.00 0.00 C ATOM 519 O TYR A 566 1.793 8.123 4.713 1.00 0.00 O ATOM 520 CB TYR A 566 2.344 10.831 6.255 1.00 0.00 C ATOM 521 CG TYR A 566 2.627 10.326 7.652 1.00 0.00 C ATOM 522 CD1 TYR A 566 3.859 10.547 8.256 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.662 9.629 8.369 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.121 10.087 9.532 1.00 0.00 C ATOM 525 CE2 TYR A 566 1.915 9.167 9.646 1.00 0.00 C ATOM 526 CZ TYR A 566 3.146 9.398 10.223 1.00 0.00 C ATOM 527 OH TYR A 566 3.404 8.939 11.494 1.00 0.00 O ATOM 0 H TYR A 566 1.830 10.390 3.536 1.00 0.00 H new ATOM 0 HA TYR A 566 4.181 10.217 5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.598 11.890 6.202 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.275 10.749 6.058 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.624 11.087 7.719 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.697 9.445 7.920 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.084 10.266 9.986 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.153 8.628 10.189 1.00 0.00 H new ATOM 0 HH TYR A 566 2.613 8.475 11.841 1.00 0.00 H new ATOM 537 N ALA A 567 3.673 7.843 5.916 1.00 0.00 N ATOM 538 CA ALA A 567 3.492 6.405 6.069 1.00 0.00 C ATOM 539 C ALA A 567 4.281 5.876 7.262 1.00 0.00 C ATOM 540 O ALA A 567 5.509 5.790 7.217 1.00 0.00 O ATOM 541 CB ALA A 567 3.908 5.682 4.797 1.00 0.00 C ATOM 0 H ALA A 567 4.513 8.212 6.362 1.00 0.00 H new ATOM 0 HA ALA A 567 2.435 6.215 6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.767 4.609 4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.297 6.031 3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 567 4.958 5.888 4.588 1.00 0.00 H new ATOM 547 N ASP A 568 3.570 5.525 8.327 1.00 0.00 N ATOM 548 CA ASP A 568 4.204 5.004 9.533 1.00 0.00 C ATOM 549 C ASP A 568 3.372 3.880 10.142 1.00 0.00 C ATOM 550 O ASP A 568 2.150 3.986 10.247 1.00 0.00 O ATOM 551 CB ASP A 568 4.400 6.123 10.556 1.00 0.00 C ATOM 552 CG ASP A 568 5.505 5.815 11.547 1.00 0.00 C ATOM 553 OD1 ASP A 568 6.559 5.300 11.119 1.00 0.00 O ATOM 554 OD2 ASP A 568 5.317 6.089 12.751 1.00 0.00 O ATOM 0 H ASP A 568 2.554 5.592 8.380 1.00 0.00 H new ATOM 0 HA ASP A 568 5.178 4.601 9.257 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.632 7.051 10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.467 6.285 11.096 1.00 0.00 H new ATOM 559 N ILE A 569 4.042 2.805 10.542 1.00 0.00 N ATOM 560 CA ILE A 569 3.365 1.662 11.141 1.00 0.00 C ATOM 561 C ILE A 569 3.035 1.924 12.607 1.00 0.00 C ATOM 562 O ILE A 569 3.927 2.150 13.425 1.00 0.00 O ATOM 563 CB ILE A 569 4.219 0.384 11.040 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.512 0.056 9.575 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.512 -0.780 11.718 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.302 -0.434 8.811 1.00 0.00 C ATOM 0 H ILE A 569 5.054 2.702 10.462 1.00 0.00 H new ATOM 0 HA ILE A 569 2.440 1.516 10.583 1.00 0.00 H new ATOM 0 HB ILE A 569 5.166 0.556 11.551 1.00 0.00 H new ATOM 0 HG12 ILE A 569 4.906 0.946 9.084 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.292 -0.704 9.530 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.128 -1.676 11.638 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.349 -0.544 12.770 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.552 -0.955 11.232 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.584 -0.647 7.780 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.920 -1.342 9.278 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.528 0.334 8.824 1.00 0.00 H new ATOM 578 N LYS A 570 1.747 1.892 12.933 1.00 0.00 N ATOM 579 CA LYS A 570 1.298 2.123 14.301 1.00 0.00 C ATOM 580 C LYS A 570 1.753 0.995 15.221 1.00 0.00 C ATOM 581 O LYS A 570 1.109 -0.050 15.303 1.00 0.00 O ATOM 582 CB LYS A 570 -0.227 2.246 14.344 1.00 0.00 C ATOM 583 CG LYS A 570 -0.746 3.566 13.799 1.00 0.00 C ATOM 584 CD LYS A 570 -0.601 4.685 14.816 1.00 0.00 C ATOM 585 CE LYS A 570 -1.428 5.901 14.428 1.00 0.00 C ATOM 586 NZ LYS A 570 -0.838 7.164 14.953 1.00 0.00 N ATOM 0 H LYS A 570 0.996 1.708 12.268 1.00 0.00 H new ATOM 0 HA LYS A 570 1.743 3.055 14.651 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.665 1.429 13.772 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.564 2.130 15.374 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -0.201 3.825 12.891 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.795 3.459 13.522 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.914 4.329 15.798 1.00 0.00 H new ATOM 0 HD3 LYS A 570 0.448 4.969 14.899 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -1.502 5.959 13.342 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -2.442 5.787 14.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -1.431 7.969 14.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -0.791 7.120 15.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 0.120 7.286 14.568 1.00 0.00 H new ATOM 686 N LYS A 577 1.157 -3.854 15.577 1.00 0.00 N ATOM 687 CA LYS A 577 -0.166 -4.466 15.577 1.00 0.00 C ATOM 688 C LYS A 577 -0.709 -4.587 14.156 1.00 0.00 C ATOM 689 O LYS A 577 -1.912 -4.746 13.953 1.00 0.00 O ATOM 690 CB LYS A 577 -1.131 -3.645 16.435 1.00 0.00 C ATOM 691 CG LYS A 577 -0.518 -3.149 17.733 1.00 0.00 C ATOM 692 CD LYS A 577 -0.744 -4.134 18.868 1.00 0.00 C ATOM 693 CE LYS A 577 -0.014 -5.445 18.622 1.00 0.00 C ATOM 694 NZ LYS A 577 -0.873 -6.434 17.914 1.00 0.00 N ATOM 0 HA LYS A 577 -0.076 -5.467 16.000 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -1.480 -2.789 15.857 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -2.006 -4.252 16.665 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.552 -2.991 17.594 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -0.951 -2.184 17.996 1.00 0.00 H new ATOM 0 HD2 LYS A 577 -0.401 -3.696 19.805 1.00 0.00 H new ATOM 0 HD3 LYS A 577 -1.811 -4.326 18.978 1.00 0.00 H new ATOM 0 HE2 LYS A 577 0.883 -5.256 18.033 1.00 0.00 H new ATOM 0 HE3 LYS A 577 0.312 -5.863 19.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -0.323 -6.896 17.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -1.206 -7.151 18.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -1.691 -5.947 17.496 1.00 0.00 H new ATOM 708 N GLY A 578 0.186 -4.511 13.176 1.00 0.00 N ATOM 709 CA GLY A 578 -0.223 -4.615 11.788 1.00 0.00 C ATOM 710 C GLY A 578 -1.224 -3.546 11.397 1.00 0.00 C ATOM 711 O GLY A 578 -2.258 -3.843 10.798 1.00 0.00 O ATOM 0 H GLY A 578 1.187 -4.379 13.319 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.655 -4.538 11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -0.660 -5.598 11.614 1.00 0.00 H new ATOM 715 N CYS A 579 -0.918 -2.299 11.737 1.00 0.00 N ATOM 716 CA CYS A 579 -1.801 -1.181 11.420 1.00 0.00 C ATOM 717 C CYS A 579 -0.999 0.096 11.189 1.00 0.00 C ATOM 718 O CYS A 579 0.060 0.292 11.783 1.00 0.00 O ATOM 719 CB CYS A 579 -2.812 -0.967 12.547 1.00 0.00 C ATOM 720 SG CYS A 579 -2.073 -0.889 14.196 1.00 0.00 S ATOM 0 H CYS A 579 -0.066 -2.036 12.232 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.338 -1.422 10.502 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.357 -0.042 12.361 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.541 -1.777 12.525 1.00 0.00 H new ATOM 0 HG CYS A 579 -3.007 -0.704 15.082 1.00 0.00 H new ATOM 726 N GLY A 580 -1.513 0.961 10.320 1.00 0.00 N ATOM 727 CA GLY A 580 -0.831 2.208 10.024 1.00 0.00 C ATOM 728 C GLY A 580 -1.715 3.190 9.281 1.00 0.00 C ATOM 729 O GLY A 580 -2.922 2.983 9.162 1.00 0.00 O ATOM 0 H GLY A 580 -2.389 0.821 9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.491 2.662 10.955 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.057 2.000 9.427 1.00 0.00 H new ATOM 733 N VAL A 581 -1.113 4.264 8.780 1.00 0.00 N ATOM 734 CA VAL A 581 -1.853 5.283 8.045 1.00 0.00 C ATOM 735 C VAL A 581 -1.106 5.703 6.785 1.00 0.00 C ATOM 736 O VAL A 581 0.093 5.458 6.650 1.00 0.00 O ATOM 737 CB VAL A 581 -2.110 6.527 8.916 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.289 6.293 9.848 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.862 6.893 9.703 1.00 0.00 C ATOM 0 H VAL A 581 -0.114 4.451 8.870 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.809 4.841 7.766 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.357 7.363 8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.455 7.183 10.455 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.182 6.084 9.259 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -3.076 5.445 10.498 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -1.062 7.774 10.313 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.582 6.061 10.349 1.00 0.00 H new ATOM 0 HG23 VAL A 581 -0.046 7.107 9.013 1.00 0.00 H new ATOM 749 N VAL A 582 -1.822 6.339 5.863 1.00 0.00 N ATOM 750 CA VAL A 582 -1.227 6.795 4.613 1.00 0.00 C ATOM 751 C VAL A 582 -1.917 8.056 4.104 1.00 0.00 C ATOM 752 O VAL A 582 -3.111 8.047 3.804 1.00 0.00 O ATOM 753 CB VAL A 582 -1.303 5.708 3.525 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.806 6.249 2.193 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.506 4.481 3.942 1.00 0.00 C ATOM 0 H VAL A 582 -2.815 6.550 5.959 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.180 7.016 4.823 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.345 5.413 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.867 5.466 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.423 7.095 1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.229 6.574 2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.571 3.723 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.537 4.759 4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.913 4.081 4.871 1.00 0.00 H new ATOM 765 N LYS A 583 -1.157 9.142 4.008 1.00 0.00 N ATOM 766 CA LYS A 583 -1.692 10.412 3.534 1.00 0.00 C ATOM 767 C LYS A 583 -1.335 10.640 2.069 1.00 0.00 C ATOM 768 O LYS A 583 -0.349 10.099 1.568 1.00 0.00 O ATOM 769 CB LYS A 583 -1.157 11.565 4.386 1.00 0.00 C ATOM 770 CG LYS A 583 -2.054 11.922 5.559 1.00 0.00 C ATOM 771 CD LYS A 583 -1.253 12.474 6.726 1.00 0.00 C ATOM 772 CE LYS A 583 -2.116 12.635 7.968 1.00 0.00 C ATOM 773 NZ LYS A 583 -3.212 13.621 7.757 1.00 0.00 N ATOM 0 H LYS A 583 -0.167 9.167 4.253 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.778 10.376 3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.169 11.299 4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -1.032 12.445 3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -2.792 12.659 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.604 11.037 5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -0.420 11.806 6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -0.825 13.438 6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -2.543 11.670 8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -1.494 12.956 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -3.736 13.753 8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -2.808 14.530 7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -3.859 13.269 7.023 1.00 0.00 H new ATOM 787 N PHE A 584 -2.141 11.446 1.386 1.00 0.00 N ATOM 788 CA PHE A 584 -1.909 11.747 -0.022 1.00 0.00 C ATOM 789 C PHE A 584 -2.008 13.247 -0.281 1.00 0.00 C ATOM 790 O PHE A 584 -2.294 14.026 0.627 1.00 0.00 O ATOM 791 CB PHE A 584 -2.917 10.999 -0.897 1.00 0.00 C ATOM 792 CG PHE A 584 -2.756 9.506 -0.855 1.00 0.00 C ATOM 793 CD1 PHE A 584 -3.419 8.752 0.100 1.00 0.00 C ATOM 794 CD2 PHE A 584 -1.943 8.857 -1.769 1.00 0.00 C ATOM 795 CE1 PHE A 584 -3.272 7.378 0.142 1.00 0.00 C ATOM 796 CE2 PHE A 584 -1.792 7.483 -1.732 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.459 6.743 -0.776 1.00 0.00 C ATOM 0 H PHE A 584 -2.961 11.903 1.785 1.00 0.00 H new ATOM 0 HA PHE A 584 -0.902 11.418 -0.277 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -3.926 11.257 -0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -2.814 11.339 -1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -4.058 9.243 0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -1.420 9.431 -2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -3.793 6.802 0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -1.153 6.989 -2.450 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.345 5.669 -0.746 1.00 0.00 H new ATOM 807 N GLU A 585 -1.769 13.643 -1.528 1.00 0.00 N ATOM 808 CA GLU A 585 -1.829 15.050 -1.906 1.00 0.00 C ATOM 809 C GLU A 585 -3.276 15.507 -2.072 1.00 0.00 C ATOM 810 O GLU A 585 -3.664 16.566 -1.579 1.00 0.00 O ATOM 811 CB GLU A 585 -1.056 15.285 -3.206 1.00 0.00 C ATOM 812 CG GLU A 585 0.447 15.381 -3.011 1.00 0.00 C ATOM 813 CD GLU A 585 1.129 16.171 -4.111 1.00 0.00 C ATOM 814 OE1 GLU A 585 1.082 15.728 -5.277 1.00 0.00 O ATOM 815 OE2 GLU A 585 1.709 17.234 -3.805 1.00 0.00 O ATOM 0 H GLU A 585 -1.532 13.010 -2.292 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.370 15.634 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.273 14.473 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.413 16.204 -3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.656 15.850 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.870 14.377 -2.974 1.00 0.00 H new ATOM 822 N SER A 586 -4.068 14.700 -2.771 1.00 0.00 N ATOM 823 CA SER A 586 -5.471 15.023 -3.006 1.00 0.00 C ATOM 824 C SER A 586 -6.381 14.148 -2.150 1.00 0.00 C ATOM 825 O SER A 586 -6.018 13.045 -1.740 1.00 0.00 O ATOM 826 CB SER A 586 -5.816 14.843 -4.486 1.00 0.00 C ATOM 827 OG SER A 586 -5.524 16.017 -5.224 1.00 0.00 O ATOM 0 H SER A 586 -3.763 13.819 -3.184 1.00 0.00 H new ATOM 0 HA SER A 586 -5.630 16.064 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.253 14.004 -4.894 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.873 14.598 -4.589 1.00 0.00 H new ATOM 0 HG SER A 586 -5.752 15.876 -6.167 1.00 0.00 H new ATOM 833 N PRO A 587 -7.593 14.650 -1.872 1.00 0.00 N ATOM 834 CA PRO A 587 -8.581 13.931 -1.062 1.00 0.00 C ATOM 835 C PRO A 587 -9.144 12.711 -1.783 1.00 0.00 C ATOM 836 O PRO A 587 -9.363 11.666 -1.173 1.00 0.00 O ATOM 837 CB PRO A 587 -9.680 14.973 -0.835 1.00 0.00 C ATOM 838 CG PRO A 587 -9.556 15.910 -1.987 1.00 0.00 C ATOM 839 CD PRO A 587 -8.092 15.959 -2.327 1.00 0.00 C ATOM 0 HA PRO A 587 -8.147 13.542 -0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.666 14.509 -0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.544 15.492 0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.142 15.562 -2.837 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.929 16.900 -1.726 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.932 16.101 -3.396 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.588 16.780 -1.818 1.00 0.00 H new ATOM 847 N GLU A 588 -9.376 12.853 -3.084 1.00 0.00 N ATOM 848 CA GLU A 588 -9.914 11.762 -3.887 1.00 0.00 C ATOM 849 C GLU A 588 -8.951 10.578 -3.912 1.00 0.00 C ATOM 850 O GLU A 588 -9.369 9.422 -3.855 1.00 0.00 O ATOM 851 CB GLU A 588 -10.192 12.237 -5.314 1.00 0.00 C ATOM 852 CG GLU A 588 -10.776 11.160 -6.213 1.00 0.00 C ATOM 853 CD GLU A 588 -12.042 10.549 -5.644 1.00 0.00 C ATOM 854 OE1 GLU A 588 -11.932 9.622 -4.815 1.00 0.00 O ATOM 855 OE2 GLU A 588 -13.142 10.998 -6.028 1.00 0.00 O ATOM 0 H GLU A 588 -9.200 13.713 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.850 11.438 -3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.880 13.081 -5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -9.263 12.601 -5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -10.991 11.587 -7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -10.034 10.376 -6.363 1.00 0.00 H new ATOM 862 N VAL A 589 -7.658 10.877 -3.998 1.00 0.00 N ATOM 863 CA VAL A 589 -6.635 9.839 -4.030 1.00 0.00 C ATOM 864 C VAL A 589 -6.640 9.021 -2.744 1.00 0.00 C ATOM 865 O VAL A 589 -6.356 7.824 -2.756 1.00 0.00 O ATOM 866 CB VAL A 589 -5.232 10.440 -4.237 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.168 9.356 -4.154 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.157 11.171 -5.570 1.00 0.00 C ATOM 0 H VAL A 589 -7.295 11.829 -4.047 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.872 9.188 -4.872 1.00 0.00 H new ATOM 0 HB VAL A 589 -5.044 11.161 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.184 9.800 -4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.208 8.882 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.349 8.608 -4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.159 11.589 -5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.366 10.472 -6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.892 11.975 -5.586 1.00 0.00 H new ATOM 878 N ALA A 590 -6.967 9.677 -1.634 1.00 0.00 N ATOM 879 CA ALA A 590 -7.012 9.010 -0.339 1.00 0.00 C ATOM 880 C ALA A 590 -8.064 7.906 -0.326 1.00 0.00 C ATOM 881 O ALA A 590 -7.770 6.761 0.013 1.00 0.00 O ATOM 882 CB ALA A 590 -7.290 10.020 0.765 1.00 0.00 C ATOM 0 H ALA A 590 -7.204 10.669 -1.607 1.00 0.00 H new ATOM 0 HA ALA A 590 -6.040 8.551 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.321 9.508 1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.500 10.771 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.249 10.505 0.581 1.00 0.00 H new ATOM 888 N GLU A 591 -9.291 8.259 -0.697 1.00 0.00 N ATOM 889 CA GLU A 591 -10.386 7.298 -0.726 1.00 0.00 C ATOM 890 C GLU A 591 -10.189 6.282 -1.848 1.00 0.00 C ATOM 891 O GLU A 591 -10.683 5.157 -1.775 1.00 0.00 O ATOM 892 CB GLU A 591 -11.723 8.019 -0.906 1.00 0.00 C ATOM 893 CG GLU A 591 -12.124 8.205 -2.360 1.00 0.00 C ATOM 894 CD GLU A 591 -13.314 9.131 -2.523 1.00 0.00 C ATOM 895 OE1 GLU A 591 -13.103 10.360 -2.598 1.00 0.00 O ATOM 896 OE2 GLU A 591 -14.455 8.627 -2.576 1.00 0.00 O ATOM 0 H GLU A 591 -9.551 9.203 -0.981 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.393 6.766 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.502 7.456 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.667 8.996 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.278 8.605 -2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.362 7.234 -2.795 1.00 0.00 H new ATOM 903 N ARG A 592 -9.464 6.688 -2.885 1.00 0.00 N ATOM 904 CA ARG A 592 -9.203 5.816 -4.023 1.00 0.00 C ATOM 905 C ARG A 592 -8.443 4.566 -3.587 1.00 0.00 C ATOM 906 O ARG A 592 -8.805 3.448 -3.954 1.00 0.00 O ATOM 907 CB ARG A 592 -8.405 6.563 -5.094 1.00 0.00 C ATOM 908 CG ARG A 592 -7.627 5.647 -6.024 1.00 0.00 C ATOM 909 CD ARG A 592 -6.934 6.431 -7.127 1.00 0.00 C ATOM 910 NE ARG A 592 -5.682 7.028 -6.670 1.00 0.00 N ATOM 911 CZ ARG A 592 -4.969 7.884 -7.393 1.00 0.00 C ATOM 912 NH1 ARG A 592 -5.383 8.243 -8.601 1.00 0.00 N ATOM 913 NH2 ARG A 592 -3.840 8.385 -6.909 1.00 0.00 N ATOM 0 H ARG A 592 -9.047 7.616 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.162 5.511 -4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.089 7.172 -5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.710 7.247 -4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -6.886 5.090 -5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -8.304 4.916 -6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.734 5.770 -7.971 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -7.599 7.215 -7.487 1.00 0.00 H new ATOM 0 HE ARG A 592 -5.336 6.774 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -6.251 7.861 -8.977 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -4.833 8.901 -9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -3.518 8.113 -5.980 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -3.294 9.042 -7.466 1.00 0.00 H new ATOM 927 N ALA A 593 -7.389 4.765 -2.803 1.00 0.00 N ATOM 928 CA ALA A 593 -6.579 3.655 -2.316 1.00 0.00 C ATOM 929 C ALA A 593 -7.397 2.730 -1.422 1.00 0.00 C ATOM 930 O ALA A 593 -7.110 1.537 -1.318 1.00 0.00 O ATOM 931 CB ALA A 593 -5.363 4.178 -1.566 1.00 0.00 C ATOM 0 H ALA A 593 -7.076 5.684 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.240 3.079 -3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.767 3.338 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.760 4.792 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.690 4.779 -0.717 1.00 0.00 H new ATOM 937 N CYS A 594 -8.416 3.287 -0.777 1.00 0.00 N ATOM 938 CA CYS A 594 -9.275 2.512 0.111 1.00 0.00 C ATOM 939 C CYS A 594 -10.047 1.452 -0.668 1.00 0.00 C ATOM 940 O CYS A 594 -10.474 0.443 -0.107 1.00 0.00 O ATOM 941 CB CYS A 594 -10.250 3.434 0.845 1.00 0.00 C ATOM 942 SG CYS A 594 -9.449 4.666 1.899 1.00 0.00 S ATOM 0 H CYS A 594 -8.668 4.273 -0.852 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.641 2.010 0.842 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.870 3.948 0.111 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -10.917 2.827 1.457 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.814 5.524 1.158 1.00 0.00 H new ATOM 948 N ARG A 595 -10.223 1.690 -1.964 1.00 0.00 N ATOM 949 CA ARG A 595 -10.947 0.757 -2.820 1.00 0.00 C ATOM 950 C ARG A 595 -9.992 -0.247 -3.459 1.00 0.00 C ATOM 951 O ARG A 595 -10.270 -1.445 -3.497 1.00 0.00 O ATOM 952 CB ARG A 595 -11.709 1.516 -3.907 1.00 0.00 C ATOM 953 CG ARG A 595 -12.757 2.472 -3.361 1.00 0.00 C ATOM 954 CD ARG A 595 -13.133 3.531 -4.386 1.00 0.00 C ATOM 955 NE ARG A 595 -14.059 4.519 -3.839 1.00 0.00 N ATOM 956 CZ ARG A 595 -14.296 5.697 -4.405 1.00 0.00 C ATOM 957 NH1 ARG A 595 -13.679 6.032 -5.529 1.00 0.00 N ATOM 958 NH2 ARG A 595 -15.153 6.542 -3.847 1.00 0.00 N ATOM 0 H ARG A 595 -9.875 2.520 -2.444 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.659 0.211 -2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -10.998 2.077 -4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.194 0.798 -4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.646 1.912 -3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.377 2.954 -2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -12.231 4.034 -4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -13.586 3.051 -5.253 1.00 0.00 H new ATOM 0 HE ARG A 595 -14.551 4.292 -2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -13.020 5.385 -5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -13.863 6.937 -5.961 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -15.631 6.287 -2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -15.334 7.446 -4.282 1.00 0.00 H new ATOM 972 N MET A 596 -8.867 0.252 -3.961 1.00 0.00 N ATOM 973 CA MET A 596 -7.871 -0.602 -4.598 1.00 0.00 C ATOM 974 C MET A 596 -7.145 -1.456 -3.564 1.00 0.00 C ATOM 975 O MET A 596 -7.085 -2.679 -3.687 1.00 0.00 O ATOM 976 CB MET A 596 -6.862 0.247 -5.374 1.00 0.00 C ATOM 977 CG MET A 596 -7.497 1.111 -6.452 1.00 0.00 C ATOM 978 SD MET A 596 -6.391 1.406 -7.846 1.00 0.00 S ATOM 979 CE MET A 596 -5.952 3.121 -7.572 1.00 0.00 C ATOM 0 H MET A 596 -8.622 1.242 -3.939 1.00 0.00 H new ATOM 0 HA MET A 596 -8.388 -1.265 -5.292 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.325 0.888 -4.675 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.124 -0.410 -5.834 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.406 0.628 -6.810 1.00 0.00 H new ATOM 0 HG3 MET A 596 -7.793 2.067 -6.019 1.00 0.00 H new ATOM 0 HE1 MET A 596 -4.883 3.254 -7.740 1.00 0.00 H new ATOM 0 HE2 MET A 596 -6.509 3.754 -8.263 1.00 0.00 H new ATOM 0 HE3 MET A 596 -6.196 3.400 -6.547 1.00 0.00 H new ATOM 989 N MET A 597 -6.595 -0.803 -2.545 1.00 0.00 N ATOM 990 CA MET A 597 -5.874 -1.505 -1.489 1.00 0.00 C ATOM 991 C MET A 597 -6.793 -2.474 -0.754 1.00 0.00 C ATOM 992 O MET A 597 -6.581 -3.686 -0.779 1.00 0.00 O ATOM 993 CB MET A 597 -5.274 -0.503 -0.500 1.00 0.00 C ATOM 994 CG MET A 597 -4.331 0.499 -1.146 1.00 0.00 C ATOM 995 SD MET A 597 -3.259 -0.254 -2.385 1.00 0.00 S ATOM 996 CE MET A 597 -1.954 -0.911 -1.349 1.00 0.00 C ATOM 0 H MET A 597 -6.635 0.210 -2.428 1.00 0.00 H new ATOM 0 HA MET A 597 -5.069 -2.076 -1.951 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.082 0.037 -0.007 1.00 0.00 H new ATOM 0 HB3 MET A 597 -4.736 -1.048 0.275 1.00 0.00 H new ATOM 0 HG2 MET A 597 -4.915 1.294 -1.611 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.717 0.964 -0.374 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.692 -1.914 -1.686 1.00 0.00 H new ATOM 0 HE2 MET A 597 -1.078 -0.265 -1.414 1.00 0.00 H new ATOM 0 HE3 MET A 597 -2.297 -0.954 -0.315 1.00 0.00 H new ATOM 1006 N ASN A 598 -7.816 -1.933 -0.100 1.00 0.00 N ATOM 1007 CA ASN A 598 -8.767 -2.751 0.643 1.00 0.00 C ATOM 1008 C ASN A 598 -9.176 -3.979 -0.165 1.00 0.00 C ATOM 1009 O ASN A 598 -9.538 -3.872 -1.335 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.006 -1.928 1.004 1.00 0.00 C ATOM 1011 CG ASN A 598 -10.876 -2.617 2.038 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -10.781 -3.827 2.239 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.731 -1.845 2.699 1.00 0.00 N ATOM 0 H ASN A 598 -8.007 -0.932 -0.070 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.282 -3.086 1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.695 -0.955 1.385 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.592 -1.745 0.104 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.343 -2.251 3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -11.775 -0.846 2.499 1.00 0.00 H new ATOM 1020 N GLY A 599 -9.116 -5.145 0.471 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.483 -6.377 -0.204 1.00 0.00 C ATOM 1022 C GLY A 599 -8.282 -7.106 -0.773 1.00 0.00 C ATOM 1023 O GLY A 599 -8.429 -8.122 -1.452 1.00 0.00 O ATOM 0 H GLY A 599 -8.820 -5.259 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -10.003 -7.031 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -10.183 -6.152 -1.009 1.00 0.00 H new ATOM 1027 N MET A 600 -7.090 -6.586 -0.497 1.00 0.00 N ATOM 1028 CA MET A 600 -5.859 -7.195 -0.987 1.00 0.00 C ATOM 1029 C MET A 600 -5.202 -8.042 0.098 1.00 0.00 C ATOM 1030 O MET A 600 -4.808 -7.530 1.146 1.00 0.00 O ATOM 1031 CB MET A 600 -4.887 -6.116 -1.467 1.00 0.00 C ATOM 1032 CG MET A 600 -4.219 -5.353 -0.335 1.00 0.00 C ATOM 1033 SD MET A 600 -3.297 -3.916 -0.915 1.00 0.00 S ATOM 1034 CE MET A 600 -2.199 -3.636 0.472 1.00 0.00 C ATOM 0 H MET A 600 -6.951 -5.745 0.063 1.00 0.00 H new ATOM 0 HA MET A 600 -6.113 -7.844 -1.825 1.00 0.00 H new ATOM 0 HB2 MET A 600 -4.118 -6.580 -2.085 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.424 -5.411 -2.102 1.00 0.00 H new ATOM 0 HG2 MET A 600 -4.978 -5.030 0.377 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.544 -6.021 0.200 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.193 -3.433 0.105 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.554 -2.783 1.050 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.181 -4.522 1.107 1.00 0.00 H new ATOM 1044 N LYS A 601 -5.086 -9.340 -0.160 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.475 -10.258 0.794 1.00 0.00 C ATOM 1046 C LYS A 601 -2.956 -10.245 0.666 1.00 0.00 C ATOM 1047 O LYS A 601 -2.392 -10.893 -0.218 1.00 0.00 O ATOM 1048 CB LYS A 601 -5.004 -11.678 0.577 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.482 -11.831 0.890 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.859 -13.287 1.106 1.00 0.00 C ATOM 1051 CE LYS A 601 -8.171 -13.418 1.864 1.00 0.00 C ATOM 1052 NZ LYS A 601 -9.345 -13.130 0.993 1.00 0.00 N ATOM 0 H LYS A 601 -5.407 -9.780 -1.022 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.740 -9.928 1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.829 -11.968 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.436 -12.368 1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.727 -11.255 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -7.073 -11.419 0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.943 -13.789 0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -6.066 -13.791 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -8.258 -14.426 2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.171 -12.733 2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -10.220 -13.230 1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -9.276 -12.159 0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -9.360 -13.800 0.198 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.298 -9.506 1.552 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.842 -9.411 1.539 1.00 0.00 C ATOM 1068 C LEU A 602 -0.207 -10.700 2.049 1.00 0.00 C ATOM 1069 O LEU A 602 -0.062 -10.896 3.256 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.381 -8.228 2.393 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.979 -6.867 2.033 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.475 -5.795 2.986 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.648 -6.503 0.593 1.00 0.00 C ATOM 0 H LEU A 602 -2.749 -8.964 2.289 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.522 -9.254 0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.619 -8.443 3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.704 -8.156 2.322 1.00 0.00 H new ATOM 0 HG LEU A 602 -2.063 -6.930 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.911 -4.833 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.764 -6.050 4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.611 -5.732 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.081 -5.532 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.434 -6.458 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.059 -7.258 -0.077 1.00 0.00 H new ATOM 1085 N SER A 603 0.172 -11.574 1.123 1.00 0.00 N ATOM 1086 CA SER A 603 0.791 -12.845 1.479 1.00 0.00 C ATOM 1087 C SER A 603 -0.205 -13.753 2.195 1.00 0.00 C ATOM 1088 O SER A 603 0.180 -14.632 2.965 1.00 0.00 O ATOM 1089 CB SER A 603 2.014 -12.610 2.369 1.00 0.00 C ATOM 1090 OG SER A 603 2.972 -13.641 2.201 1.00 0.00 O ATOM 0 H SER A 603 0.061 -11.425 0.120 1.00 0.00 H new ATOM 0 HA SER A 603 1.108 -13.336 0.559 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.465 -11.647 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.704 -12.563 3.413 1.00 0.00 H new ATOM 0 HG SER A 603 3.744 -13.467 2.779 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.490 -13.532 1.934 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.523 -14.337 2.560 1.00 0.00 C ATOM 1098 C GLY A 604 -3.142 -13.652 3.762 1.00 0.00 C ATOM 1099 O GLY A 604 -3.739 -14.305 4.618 1.00 0.00 O ATOM 0 H GLY A 604 -1.834 -12.810 1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.302 -14.556 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -2.098 -15.292 2.869 1.00 0.00 H new ATOM 1103 N ARG A 605 -3.000 -12.332 3.828 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.548 -11.559 4.935 1.00 0.00 C ATOM 1105 C ARG A 605 -4.458 -10.446 4.424 1.00 0.00 C ATOM 1106 O ARG A 605 -3.995 -9.488 3.805 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.419 -10.962 5.777 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.663 -11.993 6.600 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.096 -11.382 7.872 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.425 -12.377 8.705 1.00 0.00 N ATOM 1111 CZ ARG A 605 -1.066 -13.192 9.536 1.00 0.00 C ATOM 1112 NH1 ARG A 605 -2.386 -13.131 9.643 1.00 0.00 N ATOM 1113 NH2 ARG A 605 -0.385 -14.071 10.260 1.00 0.00 N ATOM 0 H ARG A 605 -2.510 -11.776 3.127 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.139 -12.232 5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.718 -10.450 5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.835 -10.209 6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.330 -12.816 6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.853 -12.413 6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.391 -10.592 7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.901 -10.916 8.441 1.00 0.00 H new ATOM 0 HE ARG A 605 0.591 -12.450 8.645 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -2.912 -12.457 9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -2.875 -13.758 10.282 1.00 0.00 H new ATOM 0 HH21 ARG A 605 0.631 -14.121 10.179 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -0.877 -14.697 10.898 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.754 -10.580 4.686 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.728 -9.586 4.250 1.00 0.00 C ATOM 1129 C GLU A 606 -6.621 -8.316 5.089 1.00 0.00 C ATOM 1130 O GLU A 606 -6.360 -8.373 6.291 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.146 -10.154 4.344 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.084 -9.629 3.270 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.527 -9.570 3.733 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.798 -8.884 4.741 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.384 -10.210 3.089 1.00 0.00 O ATOM 0 H GLU A 606 -6.154 -11.367 5.198 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.513 -9.335 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.099 -11.241 4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.560 -9.916 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.762 -8.632 2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -9.015 -10.267 2.389 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.823 -7.171 4.445 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.750 -5.887 5.131 1.00 0.00 C ATOM 1144 C ILE A 607 -7.953 -5.013 4.791 1.00 0.00 C ATOM 1145 O ILE A 607 -8.566 -5.166 3.735 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.460 -5.128 4.768 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.229 -5.163 3.256 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.270 -5.725 5.505 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.932 -4.514 2.828 1.00 0.00 C ATOM 0 H ILE A 607 -7.038 -7.107 3.450 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.749 -6.100 6.200 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.569 -4.088 5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.235 -6.200 2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -6.059 -4.661 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.365 -5.178 5.238 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.434 -5.653 6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.157 -6.772 5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.835 -4.576 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.931 -3.468 3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.095 -5.030 3.297 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.283 -4.095 5.693 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.411 -3.193 5.488 1.00 0.00 C ATOM 1163 C ASP A 608 -8.945 -1.741 5.443 1.00 0.00 C ATOM 1164 O ASP A 608 -8.690 -1.128 6.480 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.446 -3.376 6.599 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.480 -4.432 6.260 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -12.475 -4.093 5.586 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.293 -5.597 6.668 1.00 0.00 O ATOM 0 H ASP A 608 -7.786 -3.956 6.573 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.871 -3.437 4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -9.938 -3.653 7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -10.948 -2.426 6.784 1.00 0.00 H new ATOM 1173 N VAL A 609 -8.835 -1.197 4.235 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.400 0.182 4.055 1.00 0.00 C ATOM 1175 C VAL A 609 -9.592 1.130 3.984 1.00 0.00 C ATOM 1176 O VAL A 609 -10.514 0.926 3.194 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.554 0.342 2.778 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -6.900 1.715 2.738 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.507 -0.759 2.692 1.00 0.00 C ATOM 0 H VAL A 609 -9.041 -1.691 3.367 1.00 0.00 H new ATOM 0 HA VAL A 609 -7.789 0.436 4.921 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.212 0.255 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.307 1.809 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.671 2.486 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.253 1.835 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -5.918 -0.631 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -5.851 -0.706 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.001 -1.730 2.670 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.567 2.167 4.814 1.00 0.00 N ATOM 1190 CA ARG A 610 -10.646 3.147 4.846 1.00 0.00 C ATOM 1191 C ARG A 610 -10.109 4.537 5.175 1.00 0.00 C ATOM 1192 O ARG A 610 -9.007 4.677 5.707 1.00 0.00 O ATOM 1193 CB ARG A 610 -11.703 2.740 5.874 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.442 1.461 5.515 1.00 0.00 C ATOM 1195 CD ARG A 610 -11.744 0.236 6.084 1.00 0.00 C ATOM 1196 NE ARG A 610 -12.685 -0.839 6.386 1.00 0.00 N ATOM 1197 CZ ARG A 610 -13.523 -0.816 7.416 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -13.536 0.223 8.240 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -14.350 -1.832 7.624 1.00 0.00 N ATOM 0 H ARG A 610 -8.811 2.351 5.474 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.104 3.178 3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.223 2.612 6.844 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.425 3.549 5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -13.462 1.510 5.896 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.511 1.371 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -11.001 -0.122 5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -11.207 0.513 6.991 1.00 0.00 H new ATOM 0 HE ARG A 610 -12.699 -1.653 5.772 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -12.902 1.006 8.083 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -14.180 0.239 9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -14.343 -2.633 6.992 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -14.993 -1.812 8.416 1.00 0.00 H new ATOM 1213 N ILE A 611 -10.894 5.560 4.855 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.498 6.938 5.117 1.00 0.00 C ATOM 1215 C ILE A 611 -10.618 7.271 6.600 1.00 0.00 C ATOM 1216 O ILE A 611 -11.672 7.079 7.207 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.351 7.933 4.308 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.091 7.760 2.810 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.053 9.360 4.742 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -9.729 8.249 2.373 1.00 0.00 C ATOM 0 H ILE A 611 -11.808 5.461 4.414 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.457 7.031 4.809 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.404 7.728 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.190 6.706 2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -11.857 8.298 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -11.663 10.052 4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.284 9.474 5.801 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -9.998 9.578 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -9.614 8.095 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -9.634 9.311 2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -8.956 7.694 2.904 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.532 7.773 7.178 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.515 8.137 8.590 1.00 0.00 C ATOM 1234 C ASP A 612 -9.718 9.639 8.766 1.00 0.00 C ATOM 1235 O ASP A 612 -8.852 10.333 9.300 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.196 7.709 9.234 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.351 7.375 10.704 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -8.645 8.296 11.494 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -8.177 6.192 11.066 1.00 0.00 O ATOM 0 H ASP A 612 -8.651 7.937 6.690 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.336 7.617 9.084 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -7.803 6.840 8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.464 8.509 9.121 1.00 0.00 H new