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 133:sc= -2.95 (180deg=-2.78) USER MOD Set 1.2: A 600 MET CE :methyl -102:sc= -5.83! (180deg=-11!) USER MOD Set 2.1: A 561 CYS SG : rot 138:sc= 0.162 USER MOD Set 2.2: A 596 MET CE :methyl -108:sc= -1.4 (180deg=-2.57!) USER MOD Single : A 544 ASN : amide:sc= -2.48! X(o=-2.5!,f=-2.5) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.592) USER MOD Single : A 553 MET CE :methyl -151:sc= -0.997 (180deg=-2.43!) 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= -0.0224 K(o=-0.022,f=-1!) USER MOD Single : A 563 HIS :FLIP no HD1:sc= -0.0669 F(o=-0.67,f=-0.067) USER MOD Single : A 566 TYR OH : rot 180:sc=-0.00578 USER MOD Single : A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0135) USER MOD Single : A 579 CYS SG : rot 20:sc= -1.25 USER MOD Single : A 583 LYS NZ :NH3+ 145:sc= -1.69! (180deg=-3.36!) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 82:sc= -1.15 USER MOD Single : A 598 ASN : amide:sc= -3.26! C(o=-3.3!,f=-8.9!) 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 -5.979 11.501 5.244 1.00 0.00 N ATOM 60 CA GLY A 539 -5.214 10.286 5.458 1.00 0.00 C ATOM 61 C GLY A 539 -6.097 9.087 5.740 1.00 0.00 C ATOM 62 O GLY A 539 -7.100 9.198 6.446 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.604 10.085 4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.530 10.434 6.293 1.00 0.00 H new ATOM 66 N ILE A 540 -5.725 7.938 5.187 1.00 0.00 N ATOM 67 CA ILE A 540 -6.491 6.713 5.382 1.00 0.00 C ATOM 68 C ILE A 540 -5.919 5.884 6.527 1.00 0.00 C ATOM 69 O ILE A 540 -4.977 6.302 7.201 1.00 0.00 O ATOM 70 CB ILE A 540 -6.517 5.854 4.104 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.166 5.165 3.899 1.00 0.00 C ATOM 72 CG2 ILE A 540 -6.868 6.712 2.897 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.173 4.140 2.787 1.00 0.00 C ATOM 0 H ILE A 540 -4.898 7.829 4.600 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.510 7.014 5.627 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.282 5.086 4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.411 5.921 3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.871 4.679 4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -6.883 6.091 2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -7.850 7.161 3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.123 7.499 2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.183 3.692 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -5.904 3.363 3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.437 4.625 1.847 1.00 0.00 H new ATOM 85 N PHE A 541 -6.493 4.704 6.740 1.00 0.00 N ATOM 86 CA PHE A 541 -6.039 3.814 7.803 1.00 0.00 C ATOM 87 C PHE A 541 -6.157 2.354 7.377 1.00 0.00 C ATOM 88 O PHE A 541 -7.138 1.956 6.748 1.00 0.00 O ATOM 89 CB PHE A 541 -6.852 4.052 9.078 1.00 0.00 C ATOM 90 CG PHE A 541 -6.087 3.764 10.338 1.00 0.00 C ATOM 91 CD1 PHE A 541 -5.892 2.460 10.762 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.564 4.797 11.098 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.189 2.191 11.922 1.00 0.00 C ATOM 94 CE2 PHE A 541 -4.860 4.534 12.258 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.673 3.230 12.671 1.00 0.00 C ATOM 0 H PHE A 541 -7.273 4.342 6.191 1.00 0.00 H new ATOM 0 HA PHE A 541 -4.990 4.032 8.003 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.190 5.088 9.096 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.744 3.426 9.053 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.294 1.644 10.180 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.708 5.819 10.781 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.044 1.170 12.242 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.456 5.348 12.841 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.124 3.023 13.578 1.00 0.00 H new ATOM 105 N VAL A 542 -5.149 1.559 7.723 1.00 0.00 N ATOM 106 CA VAL A 542 -5.139 0.143 7.378 1.00 0.00 C ATOM 107 C VAL A 542 -5.026 -0.726 8.625 1.00 0.00 C ATOM 108 O VAL A 542 -4.605 -0.259 9.684 1.00 0.00 O ATOM 109 CB VAL A 542 -3.977 -0.193 6.424 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.095 -1.625 5.923 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.942 0.786 5.261 1.00 0.00 C ATOM 0 H VAL A 542 -4.329 1.872 8.242 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.084 -0.068 6.877 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.040 -0.101 6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.266 -1.845 5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.066 -2.310 6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.037 -1.747 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.115 0.533 4.597 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.880 0.729 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.806 1.798 5.642 1.00 0.00 H new ATOM 121 N ARG A 543 -5.404 -1.993 8.493 1.00 0.00 N ATOM 122 CA ARG A 543 -5.346 -2.928 9.610 1.00 0.00 C ATOM 123 C ARG A 543 -5.157 -4.358 9.113 1.00 0.00 C ATOM 124 O ARG A 543 -5.378 -4.652 7.939 1.00 0.00 O ATOM 125 CB ARG A 543 -6.621 -2.833 10.450 1.00 0.00 C ATOM 126 CG ARG A 543 -6.549 -1.788 11.550 1.00 0.00 C ATOM 127 CD ARG A 543 -7.623 -2.012 12.603 1.00 0.00 C ATOM 128 NE ARG A 543 -8.915 -1.468 12.192 1.00 0.00 N ATOM 129 CZ ARG A 543 -9.242 -0.185 12.308 1.00 0.00 C ATOM 130 NH1 ARG A 543 -8.377 0.680 12.819 1.00 0.00 N ATOM 131 NH2 ARG A 543 -10.437 0.234 11.911 1.00 0.00 N ATOM 0 H ARG A 543 -5.754 -2.396 7.624 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.490 -2.661 10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.461 -2.601 9.795 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -6.824 -3.806 10.898 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.566 -1.819 12.019 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.664 -0.794 11.117 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -7.724 -3.080 12.796 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -7.315 -1.547 13.539 1.00 0.00 H new ATOM 0 HE ARG A 543 -9.603 -2.107 11.795 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -7.457 0.362 13.124 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -8.631 1.664 12.907 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -11.105 -0.429 11.517 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -10.688 1.219 12.000 1.00 0.00 H new ATOM 145 N ASN A 544 -4.746 -5.244 10.015 1.00 0.00 N ATOM 146 CA ASN A 544 -4.527 -6.643 9.667 1.00 0.00 C ATOM 147 C ASN A 544 -3.345 -6.788 8.714 1.00 0.00 C ATOM 148 O ASN A 544 -3.355 -7.632 7.817 1.00 0.00 O ATOM 149 CB ASN A 544 -5.785 -7.236 9.030 1.00 0.00 C ATOM 150 CG ASN A 544 -5.807 -8.751 9.093 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.435 -9.338 9.974 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.117 -9.392 8.157 1.00 0.00 N ATOM 0 H ASN A 544 -4.558 -5.018 10.992 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.301 -7.188 10.584 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.666 -6.841 9.537 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.846 -6.918 7.989 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.093 -10.412 8.149 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.611 -8.865 7.446 1.00 0.00 H new ATOM 159 N LEU A 545 -2.326 -5.959 8.914 1.00 0.00 N ATOM 160 CA LEU A 545 -1.134 -5.994 8.073 1.00 0.00 C ATOM 161 C LEU A 545 -0.122 -7.004 8.604 1.00 0.00 C ATOM 162 O LEU A 545 0.055 -7.166 9.812 1.00 0.00 O ATOM 163 CB LEU A 545 -0.496 -4.606 7.999 1.00 0.00 C ATOM 164 CG LEU A 545 -1.170 -3.607 7.058 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.784 -2.183 7.427 1.00 0.00 C ATOM 166 CD2 LEU A 545 -0.801 -3.904 5.612 1.00 0.00 C ATOM 0 H LEU A 545 -2.301 -5.254 9.651 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.435 -6.302 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.485 -4.179 9.002 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.543 -4.722 7.690 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.250 -3.708 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.273 -1.486 6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.099 -1.974 8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.297 -2.067 7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.290 -3.183 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 545 0.280 -3.831 5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.128 -4.911 5.352 1.00 0.00 H new ATOM 178 N PRO A 546 0.561 -7.699 7.683 1.00 0.00 N ATOM 179 CA PRO A 546 1.569 -8.703 8.035 1.00 0.00 C ATOM 180 C PRO A 546 2.824 -8.078 8.635 1.00 0.00 C ATOM 181 O PRO A 546 3.379 -7.125 8.087 1.00 0.00 O ATOM 182 CB PRO A 546 1.892 -9.367 6.694 1.00 0.00 C ATOM 183 CG PRO A 546 1.563 -8.335 5.671 1.00 0.00 C ATOM 184 CD PRO A 546 0.401 -7.558 6.225 1.00 0.00 C ATOM 0 HA PRO A 546 1.206 -9.397 8.793 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.941 -9.658 6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.302 -10.272 6.548 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.416 -7.682 5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.304 -8.798 4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.432 -6.513 5.916 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.552 -7.962 5.884 1.00 0.00 H new ATOM 192 N PHE A 547 3.267 -8.621 9.764 1.00 0.00 N ATOM 193 CA PHE A 547 4.457 -8.116 10.440 1.00 0.00 C ATOM 194 C PHE A 547 5.527 -7.715 9.429 1.00 0.00 C ATOM 195 O PHE A 547 5.927 -6.553 9.360 1.00 0.00 O ATOM 196 CB PHE A 547 5.013 -9.173 11.396 1.00 0.00 C ATOM 197 CG PHE A 547 4.089 -9.497 12.535 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.577 -8.491 13.338 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.731 -10.809 12.802 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.726 -8.786 14.386 1.00 0.00 C ATOM 201 CE2 PHE A 547 2.880 -11.110 13.848 1.00 0.00 C ATOM 202 CZ PHE A 547 2.378 -10.097 14.642 1.00 0.00 C ATOM 0 H PHE A 547 2.820 -9.411 10.230 1.00 0.00 H new ATOM 0 HA PHE A 547 4.173 -7.233 11.012 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.220 -10.085 10.836 1.00 0.00 H new ATOM 0 HB3 PHE A 547 5.964 -8.823 11.798 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.846 -7.464 13.143 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.122 -11.605 12.185 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.334 -7.992 15.004 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.607 -12.136 14.045 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.714 -10.330 15.462 1.00 0.00 H new ATOM 212 N ASP A 548 5.988 -8.686 8.648 1.00 0.00 N ATOM 213 CA ASP A 548 7.011 -8.435 7.639 1.00 0.00 C ATOM 214 C ASP A 548 6.847 -7.046 7.031 1.00 0.00 C ATOM 215 O ASP A 548 7.829 -6.352 6.768 1.00 0.00 O ATOM 216 CB ASP A 548 6.947 -9.498 6.541 1.00 0.00 C ATOM 217 CG ASP A 548 7.504 -10.833 6.994 1.00 0.00 C ATOM 218 OD1 ASP A 548 8.603 -10.847 7.586 1.00 0.00 O ATOM 219 OD2 ASP A 548 6.841 -11.865 6.755 1.00 0.00 O ATOM 0 H ASP A 548 5.670 -9.654 8.694 1.00 0.00 H new ATOM 0 HA ASP A 548 7.985 -8.485 8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 548 5.912 -9.628 6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 548 7.505 -9.151 5.671 1.00 0.00 H new ATOM 224 N PHE A 549 5.599 -6.647 6.809 1.00 0.00 N ATOM 225 CA PHE A 549 5.305 -5.342 6.229 1.00 0.00 C ATOM 226 C PHE A 549 6.043 -4.236 6.978 1.00 0.00 C ATOM 227 O PHE A 549 5.893 -4.083 8.191 1.00 0.00 O ATOM 228 CB PHE A 549 3.799 -5.075 6.258 1.00 0.00 C ATOM 229 CG PHE A 549 3.323 -4.203 5.132 1.00 0.00 C ATOM 230 CD1 PHE A 549 3.041 -4.746 3.889 1.00 0.00 C ATOM 231 CD2 PHE A 549 3.157 -2.839 5.316 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.604 -3.946 2.850 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.720 -2.034 4.281 1.00 0.00 C ATOM 234 CZ PHE A 549 2.442 -2.588 3.047 1.00 0.00 C ATOM 0 H PHE A 549 4.775 -7.209 7.022 1.00 0.00 H new ATOM 0 HA PHE A 549 5.646 -5.347 5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.269 -6.026 6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.540 -4.604 7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 549 3.164 -5.807 3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 549 3.372 -2.400 6.279 1.00 0.00 H new ATOM 0 HE1 PHE A 549 2.389 -4.382 1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 549 2.596 -0.973 4.437 1.00 0.00 H new ATOM 0 HZ PHE A 549 2.099 -1.961 2.237 1.00 0.00 H new ATOM 244 N THR A 550 6.843 -3.466 6.246 1.00 0.00 N ATOM 245 CA THR A 550 7.607 -2.376 6.839 1.00 0.00 C ATOM 246 C THR A 550 7.112 -1.023 6.341 1.00 0.00 C ATOM 247 O THR A 550 6.514 -0.927 5.269 1.00 0.00 O ATOM 248 CB THR A 550 9.109 -2.507 6.526 1.00 0.00 C ATOM 249 OG1 THR A 550 9.294 -2.871 5.153 1.00 0.00 O ATOM 250 CG2 THR A 550 9.761 -3.548 7.424 1.00 0.00 C ATOM 0 H THR A 550 6.978 -3.578 5.241 1.00 0.00 H new ATOM 0 HA THR A 550 7.462 -2.439 7.917 1.00 0.00 H new ATOM 0 HB THR A 550 9.581 -1.543 6.713 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.252 -2.951 4.962 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.822 -3.623 7.184 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.645 -3.253 8.467 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.284 -4.515 7.265 1.00 0.00 H new ATOM 258 N TRP A 551 7.364 0.019 7.124 1.00 0.00 N ATOM 259 CA TRP A 551 6.943 1.368 6.761 1.00 0.00 C ATOM 260 C TRP A 551 7.213 1.643 5.286 1.00 0.00 C ATOM 261 O TRP A 551 6.363 2.184 4.579 1.00 0.00 O ATOM 262 CB TRP A 551 7.667 2.400 7.627 1.00 0.00 C ATOM 263 CG TRP A 551 9.152 2.406 7.428 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.070 1.635 8.082 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.891 3.223 6.513 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.335 1.923 7.630 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.253 2.894 6.667 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.536 4.199 5.579 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.255 3.508 5.921 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.532 4.808 4.840 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.879 4.460 5.013 1.00 0.00 C ATOM 0 H TRP A 551 7.858 -0.043 8.014 1.00 0.00 H new ATOM 0 HA TRP A 551 5.870 1.447 6.935 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.274 3.392 7.403 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.449 2.200 8.676 1.00 0.00 H new ATOM 0 HD1 TRP A 551 9.836 0.906 8.843 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.196 1.485 7.958 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.501 4.473 5.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.293 3.242 6.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.268 5.565 4.117 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.634 4.953 4.418 1.00 0.00 H new ATOM 282 N LYS A 552 8.402 1.268 4.827 1.00 0.00 N ATOM 283 CA LYS A 552 8.785 1.473 3.435 1.00 0.00 C ATOM 284 C LYS A 552 7.704 0.955 2.491 1.00 0.00 C ATOM 285 O LYS A 552 7.311 1.640 1.547 1.00 0.00 O ATOM 286 CB LYS A 552 10.113 0.771 3.140 1.00 0.00 C ATOM 287 CG LYS A 552 11.330 1.646 3.384 1.00 0.00 C ATOM 288 CD LYS A 552 12.570 0.812 3.659 1.00 0.00 C ATOM 289 CE LYS A 552 13.301 0.459 2.373 1.00 0.00 C ATOM 290 NZ LYS A 552 12.645 -0.668 1.653 1.00 0.00 N ATOM 0 H LYS A 552 9.118 0.820 5.399 1.00 0.00 H new ATOM 0 HA LYS A 552 8.903 2.544 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.188 -0.122 3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.116 0.439 2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.503 2.281 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.140 2.307 4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 552 13.240 1.361 4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 552 12.287 -0.102 4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 552 13.336 1.334 1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 552 14.332 0.192 2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 13.345 -1.153 1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 12.254 -1.340 2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 11.878 -0.299 1.056 1.00 0.00 H new ATOM 304 N MET A 553 7.226 -0.257 2.755 1.00 0.00 N ATOM 305 CA MET A 553 6.188 -0.864 1.930 1.00 0.00 C ATOM 306 C MET A 553 4.934 0.004 1.908 1.00 0.00 C ATOM 307 O MET A 553 4.494 0.450 0.847 1.00 0.00 O ATOM 308 CB MET A 553 5.846 -2.262 2.450 1.00 0.00 C ATOM 309 CG MET A 553 6.980 -3.262 2.295 1.00 0.00 C ATOM 310 SD MET A 553 6.507 -4.930 2.789 1.00 0.00 S ATOM 311 CE MET A 553 5.368 -5.362 1.477 1.00 0.00 C ATOM 0 H MET A 553 7.541 -0.837 3.533 1.00 0.00 H new ATOM 0 HA MET A 553 6.569 -0.946 0.912 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.575 -2.193 3.504 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.970 -2.634 1.919 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.309 -3.274 1.256 1.00 0.00 H new ATOM 0 HG3 MET A 553 7.830 -2.937 2.894 1.00 0.00 H new ATOM 0 HE1 MET A 553 4.629 -6.069 1.855 1.00 0.00 H new ATOM 0 HE2 MET A 553 4.863 -4.463 1.123 1.00 0.00 H new ATOM 0 HE3 MET A 553 5.918 -5.817 0.653 1.00 0.00 H new ATOM 321 N LEU A 554 4.362 0.239 3.083 1.00 0.00 N ATOM 322 CA LEU A 554 3.158 1.054 3.199 1.00 0.00 C ATOM 323 C LEU A 554 3.208 2.239 2.240 1.00 0.00 C ATOM 324 O LEU A 554 2.202 2.601 1.628 1.00 0.00 O ATOM 325 CB LEU A 554 2.991 1.553 4.635 1.00 0.00 C ATOM 326 CG LEU A 554 1.613 2.106 4.998 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.576 0.994 5.005 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.657 2.804 6.349 1.00 0.00 C ATOM 0 H LEU A 554 4.713 -0.123 3.970 1.00 0.00 H new ATOM 0 HA LEU A 554 2.302 0.432 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.220 0.731 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.732 2.332 4.816 1.00 0.00 H new ATOM 0 HG LEU A 554 1.327 2.838 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.399 1.407 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.524 0.538 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.858 0.238 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.667 3.191 6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 554 1.966 2.094 7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.369 3.628 6.310 1.00 0.00 H new ATOM 340 N LYS A 555 4.386 2.840 2.112 1.00 0.00 N ATOM 341 CA LYS A 555 4.570 3.983 1.225 1.00 0.00 C ATOM 342 C LYS A 555 4.622 3.537 -0.233 1.00 0.00 C ATOM 343 O LYS A 555 3.708 3.817 -1.010 1.00 0.00 O ATOM 344 CB LYS A 555 5.855 4.733 1.585 1.00 0.00 C ATOM 345 CG LYS A 555 6.241 5.799 0.575 1.00 0.00 C ATOM 346 CD LYS A 555 7.723 6.124 0.646 1.00 0.00 C ATOM 347 CE LYS A 555 8.006 7.543 0.176 1.00 0.00 C ATOM 348 NZ LYS A 555 9.394 7.689 -0.342 1.00 0.00 N ATOM 0 H LYS A 555 5.228 2.554 2.612 1.00 0.00 H new ATOM 0 HA LYS A 555 3.718 4.651 1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.732 5.199 2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.671 4.016 1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.990 5.458 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.660 6.703 0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.075 6.002 1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 555 8.281 5.418 0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.296 7.815 -0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 555 7.852 8.237 1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 9.547 8.670 -0.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 10.072 7.454 0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 9.534 7.045 -1.147 1.00 0.00 H new ATOM 362 N ASP A 556 5.694 2.842 -0.597 1.00 0.00 N ATOM 363 CA ASP A 556 5.862 2.355 -1.961 1.00 0.00 C ATOM 364 C ASP A 556 4.609 1.627 -2.437 1.00 0.00 C ATOM 365 O ASP A 556 3.954 2.052 -3.389 1.00 0.00 O ATOM 366 CB ASP A 556 7.072 1.424 -2.047 1.00 0.00 C ATOM 367 CG ASP A 556 7.045 0.552 -3.287 1.00 0.00 C ATOM 368 OD1 ASP A 556 6.491 0.997 -4.314 1.00 0.00 O ATOM 369 OD2 ASP A 556 7.577 -0.576 -3.230 1.00 0.00 O ATOM 0 H ASP A 556 6.459 2.603 0.033 1.00 0.00 H new ATOM 0 HA ASP A 556 6.028 3.215 -2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.985 2.019 -2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 556 7.102 0.790 -1.161 1.00 0.00 H new ATOM 374 N LYS A 557 4.282 0.526 -1.769 1.00 0.00 N ATOM 375 CA LYS A 557 3.107 -0.263 -2.123 1.00 0.00 C ATOM 376 C LYS A 557 1.943 0.640 -2.516 1.00 0.00 C ATOM 377 O LYS A 557 1.309 0.437 -3.551 1.00 0.00 O ATOM 378 CB LYS A 557 2.699 -1.159 -0.951 1.00 0.00 C ATOM 379 CG LYS A 557 1.286 -1.706 -1.068 1.00 0.00 C ATOM 380 CD LYS A 557 1.107 -2.524 -2.336 1.00 0.00 C ATOM 381 CE LYS A 557 1.531 -3.970 -2.131 1.00 0.00 C ATOM 382 NZ LYS A 557 1.753 -4.672 -3.425 1.00 0.00 N ATOM 0 H LYS A 557 4.814 0.160 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 557 3.363 -0.888 -2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.398 -1.993 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.785 -0.592 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.062 -2.326 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.574 -0.881 -1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.063 -2.491 -2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.694 -2.082 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.446 -4.000 -1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.766 -4.495 -1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.041 -5.655 -3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 0.873 -4.666 -3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.501 -4.186 -3.960 1.00 0.00 H new ATOM 396 N PHE A 558 1.668 1.639 -1.684 1.00 0.00 N ATOM 397 CA PHE A 558 0.580 2.575 -1.945 1.00 0.00 C ATOM 398 C PHE A 558 0.971 3.575 -3.029 1.00 0.00 C ATOM 399 O PHE A 558 0.116 4.106 -3.736 1.00 0.00 O ATOM 400 CB PHE A 558 0.199 3.317 -0.663 1.00 0.00 C ATOM 401 CG PHE A 558 -0.604 2.485 0.296 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.154 1.237 0.695 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.808 2.951 0.798 1.00 0.00 C ATOM 404 CE1 PHE A 558 -0.891 0.469 1.577 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.550 2.188 1.680 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.090 0.946 2.070 1.00 0.00 C ATOM 0 H PHE A 558 2.184 1.821 -0.823 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.280 2.005 -2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 558 1.108 3.655 -0.165 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.372 4.208 -0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.783 0.860 0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.171 3.922 0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.530 -0.503 1.880 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.488 2.563 2.063 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.667 0.348 2.760 1.00 0.00 H new ATOM 416 N ASN A 559 2.271 3.827 -3.152 1.00 0.00 N ATOM 417 CA ASN A 559 2.776 4.764 -4.148 1.00 0.00 C ATOM 418 C ASN A 559 2.239 4.426 -5.536 1.00 0.00 C ATOM 419 O ASN A 559 2.198 5.280 -6.421 1.00 0.00 O ATOM 420 CB ASN A 559 4.306 4.748 -4.164 1.00 0.00 C ATOM 421 CG ASN A 559 4.891 5.998 -4.792 1.00 0.00 C ATOM 422 OD1 ASN A 559 4.160 6.877 -5.250 1.00 0.00 O ATOM 423 ND2 ASN A 559 6.216 6.083 -4.817 1.00 0.00 N ATOM 0 H ASN A 559 2.993 3.395 -2.574 1.00 0.00 H new ATOM 0 HA ASN A 559 2.432 5.762 -3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.676 4.650 -3.143 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.652 3.873 -4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 559 6.667 6.901 -5.227 1.00 0.00 H new ATOM 0 HD22 ASN A 559 6.783 5.331 -4.426 1.00 0.00 H new ATOM 430 N GLU A 560 1.828 3.175 -5.716 1.00 0.00 N ATOM 431 CA GLU A 560 1.293 2.725 -6.996 1.00 0.00 C ATOM 432 C GLU A 560 -0.071 3.352 -7.267 1.00 0.00 C ATOM 433 O GLU A 560 -0.393 3.696 -8.404 1.00 0.00 O ATOM 434 CB GLU A 560 1.179 1.199 -7.018 1.00 0.00 C ATOM 435 CG GLU A 560 2.520 0.489 -7.092 1.00 0.00 C ATOM 436 CD GLU A 560 2.379 -0.999 -7.346 1.00 0.00 C ATOM 437 OE1 GLU A 560 1.788 -1.694 -6.493 1.00 0.00 O ATOM 438 OE2 GLU A 560 2.859 -1.469 -8.399 1.00 0.00 O ATOM 0 H GLU A 560 1.855 2.456 -4.993 1.00 0.00 H new ATOM 0 HA GLU A 560 1.981 3.042 -7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.652 0.870 -6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.572 0.901 -7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 560 3.119 0.934 -7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 560 3.061 0.645 -6.159 1.00 0.00 H new ATOM 445 N CYS A 561 -0.868 3.497 -6.214 1.00 0.00 N ATOM 446 CA CYS A 561 -2.199 4.081 -6.337 1.00 0.00 C ATOM 447 C CYS A 561 -2.113 5.588 -6.560 1.00 0.00 C ATOM 448 O CYS A 561 -2.802 6.139 -7.417 1.00 0.00 O ATOM 449 CB CYS A 561 -3.027 3.785 -5.086 1.00 0.00 C ATOM 450 SG CYS A 561 -3.440 2.038 -4.870 1.00 0.00 S ATOM 0 H CYS A 561 -0.616 3.218 -5.266 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.687 3.631 -7.201 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -2.477 4.128 -4.210 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -3.950 4.363 -5.129 1.00 0.00 H new ATOM 0 HG CYS A 561 -3.293 1.708 -3.621 1.00 0.00 H new ATOM 456 N GLY A 562 -1.262 6.248 -5.781 1.00 0.00 N ATOM 457 CA GLY A 562 -1.102 7.685 -5.907 1.00 0.00 C ATOM 458 C GLY A 562 0.226 8.172 -5.363 1.00 0.00 C ATOM 459 O GLY A 562 1.247 7.498 -5.503 1.00 0.00 O ATOM 0 H GLY A 562 -0.680 5.813 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -1.186 7.966 -6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.913 8.185 -5.378 1.00 0.00 H new ATOM 463 N HIS A 563 0.215 9.346 -4.740 1.00 0.00 N ATOM 464 CA HIS A 563 1.429 9.923 -4.174 1.00 0.00 C ATOM 465 C HIS A 563 1.388 9.884 -2.649 1.00 0.00 C ATOM 466 O HIS A 563 0.684 10.671 -2.016 1.00 0.00 O ATOM 467 CB HIS A 563 1.607 11.363 -4.654 1.00 0.00 C ATOM 468 CG HIS A 563 2.940 11.950 -4.308 1.00 0.00 C ATOM 469 ND1 HIS A 563 3.549 12.118 -3.110 1.00 0.00 N flip ATOM 470 CD2 HIS A 563 3.812 12.448 -5.253 1.00 0.00 C flip ATOM 471 CE1 HIS A 563 4.766 12.707 -3.352 1.00 0.00 C flip ATOM 472 NE2 HIS A 563 4.901 12.895 -4.652 1.00 0.00 N flip ATOM 0 H HIS A 563 -0.621 9.916 -4.614 1.00 0.00 H new ATOM 0 HA HIS A 563 2.277 9.328 -4.513 1.00 0.00 H new ATOM 0 HB2 HIS A 563 1.475 11.396 -5.735 1.00 0.00 H new ATOM 0 HB3 HIS A 563 0.823 11.982 -4.218 1.00 0.00 H new ATOM 0 HD2 HIS A 563 3.633 12.469 -6.318 1.00 0.00 H new ATOM 0 HE1 HIS A 563 5.495 12.973 -2.601 1.00 0.00 H new ATOM 0 HE2 HIS A 563 5.708 13.314 -5.114 1.00 0.00 H new ATOM 481 N VAL A 564 2.147 8.962 -2.065 1.00 0.00 N ATOM 482 CA VAL A 564 2.198 8.821 -0.614 1.00 0.00 C ATOM 483 C VAL A 564 3.085 9.892 0.011 1.00 0.00 C ATOM 484 O VAL A 564 4.267 10.005 -0.318 1.00 0.00 O ATOM 485 CB VAL A 564 2.721 7.432 -0.204 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.904 7.355 1.304 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.778 6.343 -0.691 1.00 0.00 C ATOM 0 H VAL A 564 2.735 8.302 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 564 1.178 8.939 -0.248 1.00 0.00 H new ATOM 0 HB VAL A 564 3.693 7.275 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.274 6.366 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.621 8.111 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 564 1.948 7.532 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.163 5.368 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 564 0.791 6.493 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.703 6.386 -1.778 1.00 0.00 H new ATOM 497 N LEU A 565 2.509 10.675 0.916 1.00 0.00 N ATOM 498 CA LEU A 565 3.248 11.738 1.590 1.00 0.00 C ATOM 499 C LEU A 565 3.786 11.259 2.934 1.00 0.00 C ATOM 500 O LEU A 565 4.913 11.579 3.312 1.00 0.00 O ATOM 501 CB LEU A 565 2.350 12.960 1.793 1.00 0.00 C ATOM 502 CG LEU A 565 1.910 13.688 0.523 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.986 14.847 0.864 1.00 0.00 C ATOM 504 CD2 LEU A 565 3.122 14.182 -0.256 1.00 0.00 C ATOM 0 H LEU A 565 1.533 10.594 1.200 1.00 0.00 H new ATOM 0 HA LEU A 565 4.093 12.016 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.458 12.645 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.876 13.670 2.431 1.00 0.00 H new ATOM 0 HG LEU A 565 1.361 12.985 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.683 15.353 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 565 0.102 14.469 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.509 15.551 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.790 14.698 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.698 14.869 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.747 13.333 -0.533 1.00 0.00 H new ATOM 516 N TYR A 566 2.975 10.488 3.649 1.00 0.00 N ATOM 517 CA TYR A 566 3.370 9.965 4.952 1.00 0.00 C ATOM 518 C TYR A 566 2.957 8.503 5.099 1.00 0.00 C ATOM 519 O TYR A 566 1.880 8.103 4.659 1.00 0.00 O ATOM 520 CB TYR A 566 2.743 10.798 6.071 1.00 0.00 C ATOM 521 CG TYR A 566 2.976 10.230 7.453 1.00 0.00 C ATOM 522 CD1 TYR A 566 4.232 10.286 8.046 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.941 9.637 8.165 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.449 9.767 9.307 1.00 0.00 C ATOM 525 CE2 TYR A 566 2.149 9.117 9.428 1.00 0.00 C ATOM 526 CZ TYR A 566 3.405 9.184 9.994 1.00 0.00 C ATOM 527 OH TYR A 566 3.617 8.667 11.252 1.00 0.00 O ATOM 0 H TYR A 566 2.040 10.211 3.349 1.00 0.00 H new ATOM 0 HA TYR A 566 4.456 10.027 5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 566 3.148 11.809 6.030 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.670 10.877 5.896 1.00 0.00 H new ATOM 0 HD1 TYR A 566 5.052 10.743 7.512 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.957 9.582 7.724 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.431 9.817 9.753 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.333 8.661 9.969 1.00 0.00 H new ATOM 0 HH TYR A 566 2.779 8.294 11.598 1.00 0.00 H new ATOM 537 N ALA A 567 3.823 7.711 5.723 1.00 0.00 N ATOM 538 CA ALA A 567 3.550 6.295 5.931 1.00 0.00 C ATOM 539 C ALA A 567 4.303 5.763 7.146 1.00 0.00 C ATOM 540 O ALA A 567 5.532 5.823 7.201 1.00 0.00 O ATOM 541 CB ALA A 567 3.918 5.497 4.689 1.00 0.00 C ATOM 0 H ALA A 567 4.720 8.027 6.093 1.00 0.00 H new ATOM 0 HA ALA A 567 2.482 6.181 6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.708 4.441 4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.331 5.851 3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 567 4.979 5.626 4.475 1.00 0.00 H new ATOM 547 N ASP A 568 3.560 5.245 8.117 1.00 0.00 N ATOM 548 CA ASP A 568 4.158 4.703 9.332 1.00 0.00 C ATOM 549 C ASP A 568 3.289 3.594 9.917 1.00 0.00 C ATOM 550 O ASP A 568 2.060 3.661 9.863 1.00 0.00 O ATOM 551 CB ASP A 568 4.357 5.811 10.366 1.00 0.00 C ATOM 552 CG ASP A 568 5.385 5.443 11.419 1.00 0.00 C ATOM 553 OD1 ASP A 568 6.338 4.709 11.085 1.00 0.00 O ATOM 554 OD2 ASP A 568 5.234 5.887 12.577 1.00 0.00 O ATOM 0 H ASP A 568 2.542 5.189 8.087 1.00 0.00 H new ATOM 0 HA ASP A 568 5.129 4.281 9.073 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.670 6.724 9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.405 6.026 10.851 1.00 0.00 H new ATOM 559 N ILE A 569 3.934 2.576 10.475 1.00 0.00 N ATOM 560 CA ILE A 569 3.220 1.453 11.070 1.00 0.00 C ATOM 561 C ILE A 569 3.027 1.656 12.569 1.00 0.00 C ATOM 562 O ILE A 569 3.947 1.443 13.360 1.00 0.00 O ATOM 563 CB ILE A 569 3.963 0.125 10.835 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.282 -0.051 9.349 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.134 -1.044 11.346 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.099 -0.515 8.528 1.00 0.00 C ATOM 0 H ILE A 569 4.950 2.505 10.528 1.00 0.00 H new ATOM 0 HA ILE A 569 2.246 1.406 10.584 1.00 0.00 H new ATOM 0 HB ILE A 569 4.902 0.149 11.388 1.00 0.00 H new ATOM 0 HG12 ILE A 569 4.643 0.896 8.948 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.093 -0.772 9.243 1.00 0.00 H new ATOM 0 HG21 ILE A 569 3.673 -1.975 11.173 1.00 0.00 H new ATOM 0 HG22 ILE A 569 2.953 -0.923 12.414 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.181 -1.072 10.818 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.398 -0.618 7.485 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.751 -1.478 8.903 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.294 0.216 8.604 1.00 0.00 H new ATOM 578 N LYS A 570 1.824 2.069 12.955 1.00 0.00 N ATOM 579 CA LYS A 570 1.508 2.299 14.359 1.00 0.00 C ATOM 580 C LYS A 570 1.871 1.082 15.205 1.00 0.00 C ATOM 581 O LYS A 570 1.239 0.031 15.101 1.00 0.00 O ATOM 582 CB LYS A 570 0.021 2.621 14.522 1.00 0.00 C ATOM 583 CG LYS A 570 -0.390 3.935 13.882 1.00 0.00 C ATOM 584 CD LYS A 570 -0.196 5.104 14.833 1.00 0.00 C ATOM 585 CE LYS A 570 -0.967 6.332 14.373 1.00 0.00 C ATOM 586 NZ LYS A 570 -0.457 7.578 15.009 1.00 0.00 N ATOM 0 H LYS A 570 1.052 2.251 12.314 1.00 0.00 H new ATOM 0 HA LYS A 570 2.098 3.148 14.704 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.567 1.814 14.085 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.221 2.652 15.584 1.00 0.00 H new ATOM 0 HG2 LYS A 570 0.196 4.099 12.978 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.436 3.881 13.579 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.526 4.820 15.832 1.00 0.00 H new ATOM 0 HD3 LYS A 570 0.865 5.345 14.904 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -0.894 6.422 13.289 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -2.023 6.208 14.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -1.008 8.392 14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -0.550 7.504 16.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 0.544 7.710 14.760 1.00 0.00 H new ATOM 686 N LYS A 577 1.078 -4.034 15.309 1.00 0.00 N ATOM 687 CA LYS A 577 -0.292 -4.528 15.394 1.00 0.00 C ATOM 688 C LYS A 577 -0.935 -4.587 14.013 1.00 0.00 C ATOM 689 O LYS A 577 -2.159 -4.587 13.887 1.00 0.00 O ATOM 690 CB LYS A 577 -1.122 -3.633 16.318 1.00 0.00 C ATOM 691 CG LYS A 577 -0.510 -3.446 17.695 1.00 0.00 C ATOM 692 CD LYS A 577 -0.413 -4.764 18.445 1.00 0.00 C ATOM 693 CE LYS A 577 -1.780 -5.244 18.908 1.00 0.00 C ATOM 694 NZ LYS A 577 -2.264 -4.483 20.093 1.00 0.00 N ATOM 0 HA LYS A 577 -0.264 -5.537 15.805 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -1.246 -2.657 15.849 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -2.118 -4.063 16.428 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.483 -3.008 17.596 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -1.113 -2.743 18.270 1.00 0.00 H new ATOM 0 HD2 LYS A 577 0.039 -5.518 17.801 1.00 0.00 H new ATOM 0 HD3 LYS A 577 0.243 -4.646 19.307 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -2.496 -5.141 18.093 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -1.728 -6.305 19.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -3.158 -4.895 20.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -1.554 -4.532 20.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -2.419 -3.489 19.828 1.00 0.00 H new ATOM 708 N GLY A 578 -0.102 -4.639 12.978 1.00 0.00 N ATOM 709 CA GLY A 578 -0.609 -4.699 11.620 1.00 0.00 C ATOM 710 C GLY A 578 -1.538 -3.546 11.296 1.00 0.00 C ATOM 711 O GLY A 578 -2.588 -3.740 10.682 1.00 0.00 O ATOM 0 H GLY A 578 0.915 -4.641 13.056 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.228 -4.694 10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -1.139 -5.640 11.475 1.00 0.00 H new ATOM 715 N CYS A 579 -1.153 -2.344 11.710 1.00 0.00 N ATOM 716 CA CYS A 579 -1.960 -1.155 11.462 1.00 0.00 C ATOM 717 C CYS A 579 -1.080 0.031 11.085 1.00 0.00 C ATOM 718 O CYS A 579 0.110 0.059 11.396 1.00 0.00 O ATOM 719 CB CYS A 579 -2.795 -0.814 12.698 1.00 0.00 C ATOM 720 SG CYS A 579 -1.824 -0.600 14.208 1.00 0.00 S ATOM 0 H CYS A 579 -0.287 -2.167 12.219 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.628 -1.367 10.627 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.353 0.102 12.505 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.527 -1.606 12.859 1.00 0.00 H new ATOM 0 HG CYS A 579 -0.586 -0.355 13.897 1.00 0.00 H new ATOM 726 N GLY A 580 -1.673 1.011 10.409 1.00 0.00 N ATOM 727 CA GLY A 580 -0.927 2.186 9.998 1.00 0.00 C ATOM 728 C GLY A 580 -1.791 3.194 9.266 1.00 0.00 C ATOM 729 O GLY A 580 -2.994 2.990 9.104 1.00 0.00 O ATOM 0 H GLY A 580 -2.657 1.012 10.139 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.487 2.659 10.876 1.00 0.00 H new ATOM 0 HA3 GLY A 580 -0.103 1.882 9.353 1.00 0.00 H new ATOM 733 N VAL A 581 -1.177 4.287 8.824 1.00 0.00 N ATOM 734 CA VAL A 581 -1.897 5.332 8.107 1.00 0.00 C ATOM 735 C VAL A 581 -1.132 5.773 6.864 1.00 0.00 C ATOM 736 O VAL A 581 0.097 5.707 6.822 1.00 0.00 O ATOM 737 CB VAL A 581 -2.148 6.559 9.004 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.342 6.318 9.916 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.905 6.888 9.816 1.00 0.00 C ATOM 0 H VAL A 581 -0.182 4.472 8.950 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.856 4.907 7.809 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.374 7.414 8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.504 7.195 10.542 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.230 6.134 9.312 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -3.148 5.452 10.548 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -1.100 7.757 10.444 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.646 6.037 10.445 1.00 0.00 H new ATOM 0 HG23 VAL A 581 -0.077 7.106 9.142 1.00 0.00 H new ATOM 749 N VAL A 582 -1.867 6.223 5.852 1.00 0.00 N ATOM 750 CA VAL A 582 -1.258 6.677 4.608 1.00 0.00 C ATOM 751 C VAL A 582 -1.932 7.945 4.096 1.00 0.00 C ATOM 752 O VAL A 582 -3.104 7.930 3.719 1.00 0.00 O ATOM 753 CB VAL A 582 -1.335 5.593 3.517 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.871 6.147 2.178 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.510 4.378 3.914 1.00 0.00 C ATOM 0 H VAL A 582 -2.885 6.283 5.870 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.211 6.888 4.828 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.374 5.281 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.933 5.366 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.508 6.983 1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.160 6.489 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.576 3.622 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.531 4.673 4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -0.893 3.968 4.848 1.00 0.00 H new ATOM 765 N LYS A 583 -1.184 9.044 4.086 1.00 0.00 N ATOM 766 CA LYS A 583 -1.708 10.322 3.620 1.00 0.00 C ATOM 767 C LYS A 583 -1.485 10.487 2.120 1.00 0.00 C ATOM 768 O LYS A 583 -0.655 9.797 1.526 1.00 0.00 O ATOM 769 CB LYS A 583 -1.042 11.475 4.375 1.00 0.00 C ATOM 770 CG LYS A 583 -1.763 11.860 5.655 1.00 0.00 C ATOM 771 CD LYS A 583 -1.210 11.108 6.854 1.00 0.00 C ATOM 772 CE LYS A 583 -1.953 9.800 7.082 1.00 0.00 C ATOM 773 NZ LYS A 583 -3.103 9.971 8.013 1.00 0.00 N ATOM 0 H LYS A 583 -0.213 9.075 4.396 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.780 10.339 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.016 11.196 4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -0.991 12.345 3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.665 12.933 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.827 11.649 5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -0.150 10.904 6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -1.288 11.732 7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -2.312 9.415 6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -1.265 9.057 7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -3.881 9.345 7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -2.806 9.728 8.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -3.426 10.959 7.988 1.00 0.00 H new ATOM 787 N PHE A 584 -2.229 11.405 1.513 1.00 0.00 N ATOM 788 CA PHE A 584 -2.111 11.661 0.082 1.00 0.00 C ATOM 789 C PHE A 584 -2.155 13.158 -0.209 1.00 0.00 C ATOM 790 O PHE A 584 -2.544 13.955 0.644 1.00 0.00 O ATOM 791 CB PHE A 584 -3.233 10.949 -0.678 1.00 0.00 C ATOM 792 CG PHE A 584 -3.112 9.452 -0.662 1.00 0.00 C ATOM 793 CD1 PHE A 584 -2.323 8.798 -1.594 1.00 0.00 C ATOM 794 CD2 PHE A 584 -3.788 8.700 0.284 1.00 0.00 C ATOM 795 CE1 PHE A 584 -2.209 7.420 -1.582 1.00 0.00 C ATOM 796 CE2 PHE A 584 -3.678 7.322 0.301 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.889 6.682 -0.634 1.00 0.00 C ATOM 0 H PHE A 584 -2.920 11.984 1.989 1.00 0.00 H new ATOM 0 HA PHE A 584 -1.149 11.272 -0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -4.192 11.233 -0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -3.237 11.294 -1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -1.791 9.371 -2.339 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -4.408 9.195 1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -1.589 6.922 -2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -4.209 6.747 1.045 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.804 5.605 -0.624 1.00 0.00 H new ATOM 807 N GLU A 585 -1.752 13.532 -1.419 1.00 0.00 N ATOM 808 CA GLU A 585 -1.743 14.933 -1.822 1.00 0.00 C ATOM 809 C GLU A 585 -3.165 15.455 -2.006 1.00 0.00 C ATOM 810 O GLU A 585 -3.487 16.570 -1.596 1.00 0.00 O ATOM 811 CB GLU A 585 -0.951 15.109 -3.119 1.00 0.00 C ATOM 812 CG GLU A 585 0.554 15.139 -2.914 1.00 0.00 C ATOM 813 CD GLU A 585 1.299 15.644 -4.135 1.00 0.00 C ATOM 814 OE1 GLU A 585 1.181 15.013 -5.205 1.00 0.00 O ATOM 815 OE2 GLU A 585 2.000 16.671 -4.018 1.00 0.00 O ATOM 0 H GLU A 585 -1.428 12.884 -2.137 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.263 15.509 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.200 14.295 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.262 16.035 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.788 15.776 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.904 14.136 -2.669 1.00 0.00 H new ATOM 822 N SER A 586 -4.012 14.640 -2.627 1.00 0.00 N ATOM 823 CA SER A 586 -5.399 15.020 -2.870 1.00 0.00 C ATOM 824 C SER A 586 -6.355 14.092 -2.127 1.00 0.00 C ATOM 825 O SER A 586 -6.011 12.968 -1.761 1.00 0.00 O ATOM 826 CB SER A 586 -5.703 14.990 -4.369 1.00 0.00 C ATOM 827 OG SER A 586 -5.359 16.220 -4.984 1.00 0.00 O ATOM 0 H SER A 586 -3.762 13.713 -2.971 1.00 0.00 H new ATOM 0 HA SER A 586 -5.542 16.034 -2.498 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.149 14.177 -4.839 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.762 14.786 -4.524 1.00 0.00 H new ATOM 0 HG SER A 586 -5.561 16.175 -5.942 1.00 0.00 H new ATOM 833 N PRO A 587 -7.587 14.572 -1.899 1.00 0.00 N ATOM 834 CA PRO A 587 -8.619 13.802 -1.198 1.00 0.00 C ATOM 835 C PRO A 587 -9.125 12.625 -2.025 1.00 0.00 C ATOM 836 O PRO A 587 -9.328 11.530 -1.502 1.00 0.00 O ATOM 837 CB PRO A 587 -9.738 14.824 -0.982 1.00 0.00 C ATOM 838 CG PRO A 587 -9.548 15.828 -2.066 1.00 0.00 C ATOM 839 CD PRO A 587 -8.066 15.903 -2.307 1.00 0.00 C ATOM 0 HA PRO A 587 -8.242 13.360 -0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.720 14.355 -1.044 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.667 15.286 0.003 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.076 15.529 -2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.945 16.800 -1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.839 16.109 -3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.603 16.695 -1.718 1.00 0.00 H new ATOM 847 N GLU A 588 -9.327 12.859 -3.318 1.00 0.00 N ATOM 848 CA GLU A 588 -9.810 11.816 -4.216 1.00 0.00 C ATOM 849 C GLU A 588 -8.892 10.597 -4.178 1.00 0.00 C ATOM 850 O GLU A 588 -9.352 9.457 -4.245 1.00 0.00 O ATOM 851 CB GLU A 588 -9.908 12.350 -5.646 1.00 0.00 C ATOM 852 CG GLU A 588 -10.427 11.327 -6.643 1.00 0.00 C ATOM 853 CD GLU A 588 -10.813 11.950 -7.971 1.00 0.00 C ATOM 854 OE1 GLU A 588 -9.936 12.558 -8.618 1.00 0.00 O ATOM 855 OE2 GLU A 588 -11.992 11.828 -8.362 1.00 0.00 O ATOM 0 H GLU A 588 -9.164 13.760 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.802 11.513 -3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.564 13.220 -5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -8.923 12.690 -5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -9.663 10.568 -6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -11.293 10.819 -6.219 1.00 0.00 H new ATOM 862 N VAL A 589 -7.591 10.847 -4.070 1.00 0.00 N ATOM 863 CA VAL A 589 -6.608 9.771 -4.022 1.00 0.00 C ATOM 864 C VAL A 589 -6.671 9.027 -2.693 1.00 0.00 C ATOM 865 O VAL A 589 -6.406 7.827 -2.628 1.00 0.00 O ATOM 866 CB VAL A 589 -5.179 10.307 -4.231 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.181 9.160 -4.280 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.104 11.144 -5.499 1.00 0.00 C ATOM 0 H VAL A 589 -7.193 11.785 -4.014 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.852 9.083 -4.831 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.922 10.946 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.177 9.557 -4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.217 8.606 -3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.433 8.494 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.087 11.514 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.381 10.531 -6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.790 11.987 -5.419 1.00 0.00 H new ATOM 878 N ALA A 590 -7.024 9.748 -1.634 1.00 0.00 N ATOM 879 CA ALA A 590 -7.124 9.156 -0.306 1.00 0.00 C ATOM 880 C ALA A 590 -8.163 8.040 -0.279 1.00 0.00 C ATOM 881 O ALA A 590 -7.871 6.919 0.137 1.00 0.00 O ATOM 882 CB ALA A 590 -7.468 10.224 0.723 1.00 0.00 C ATOM 0 H ALA A 590 -7.245 10.743 -1.670 1.00 0.00 H new ATOM 0 HA ALA A 590 -6.156 8.722 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.540 9.768 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.689 10.986 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.422 10.683 0.465 1.00 0.00 H new ATOM 888 N GLU A 591 -9.375 8.354 -0.726 1.00 0.00 N ATOM 889 CA GLU A 591 -10.456 7.376 -0.751 1.00 0.00 C ATOM 890 C GLU A 591 -10.246 6.362 -1.872 1.00 0.00 C ATOM 891 O GLU A 591 -10.725 5.231 -1.798 1.00 0.00 O ATOM 892 CB GLU A 591 -11.804 8.078 -0.929 1.00 0.00 C ATOM 893 CG GLU A 591 -12.208 8.261 -2.383 1.00 0.00 C ATOM 894 CD GLU A 591 -13.168 9.418 -2.580 1.00 0.00 C ATOM 895 OE1 GLU A 591 -13.112 10.378 -1.783 1.00 0.00 O ATOM 896 OE2 GLU A 591 -13.976 9.363 -3.530 1.00 0.00 O ATOM 0 H GLU A 591 -9.633 9.277 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.454 6.845 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.574 7.502 -0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.762 9.055 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.315 8.428 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.671 7.343 -2.746 1.00 0.00 H new ATOM 903 N ARG A 592 -9.528 6.777 -2.911 1.00 0.00 N ATOM 904 CA ARG A 592 -9.256 5.907 -4.048 1.00 0.00 C ATOM 905 C ARG A 592 -8.506 4.653 -3.606 1.00 0.00 C ATOM 906 O ARG A 592 -8.872 3.537 -3.974 1.00 0.00 O ATOM 907 CB ARG A 592 -8.442 6.654 -5.106 1.00 0.00 C ATOM 908 CG ARG A 592 -7.944 5.764 -6.233 1.00 0.00 C ATOM 909 CD ARG A 592 -6.978 6.505 -7.143 1.00 0.00 C ATOM 910 NE ARG A 592 -7.015 5.995 -8.512 1.00 0.00 N ATOM 911 CZ ARG A 592 -6.295 6.505 -9.505 1.00 0.00 C ATOM 912 NH1 ARG A 592 -5.486 7.531 -9.283 1.00 0.00 N ATOM 913 NH2 ARG A 592 -6.383 5.986 -10.723 1.00 0.00 N ATOM 0 H ARG A 592 -9.124 7.711 -2.988 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.211 5.606 -4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.055 7.451 -5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.587 7.130 -4.625 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -7.451 4.887 -5.814 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -8.792 5.405 -6.816 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -7.224 7.567 -7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -5.966 6.413 -6.749 1.00 0.00 H new ATOM 0 HE ARG A 592 -7.627 5.205 -8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -5.415 7.931 -8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -4.934 7.920 -10.048 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -7.004 5.195 -10.897 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -5.830 6.378 -11.485 1.00 0.00 H new ATOM 927 N ALA A 593 -7.455 4.846 -2.817 1.00 0.00 N ATOM 928 CA ALA A 593 -6.655 3.732 -2.324 1.00 0.00 C ATOM 929 C ALA A 593 -7.482 2.817 -1.427 1.00 0.00 C ATOM 930 O ALA A 593 -7.187 1.628 -1.297 1.00 0.00 O ATOM 931 CB ALA A 593 -5.436 4.248 -1.574 1.00 0.00 C ATOM 0 H ALA A 593 -7.137 5.764 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.320 3.150 -3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.848 3.405 -1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.826 4.854 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.759 4.855 -0.728 1.00 0.00 H new ATOM 937 N CYS A 594 -8.516 3.378 -0.810 1.00 0.00 N ATOM 938 CA CYS A 594 -9.385 2.612 0.077 1.00 0.00 C ATOM 939 C CYS A 594 -10.247 1.636 -0.717 1.00 0.00 C ATOM 940 O CYS A 594 -10.766 0.663 -0.169 1.00 0.00 O ATOM 941 CB CYS A 594 -10.275 3.553 0.890 1.00 0.00 C ATOM 942 SG CYS A 594 -9.375 4.578 2.077 1.00 0.00 S ATOM 0 H CYS A 594 -8.773 4.360 -0.907 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.755 2.041 0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.820 4.203 0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -11.017 2.961 1.426 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.869 5.608 1.465 1.00 0.00 H new ATOM 948 N ARG A 595 -10.396 1.903 -2.010 1.00 0.00 N ATOM 949 CA ARG A 595 -11.198 1.049 -2.879 1.00 0.00 C ATOM 950 C ARG A 595 -10.328 -0.002 -3.561 1.00 0.00 C ATOM 951 O ARG A 595 -10.762 -1.133 -3.782 1.00 0.00 O ATOM 952 CB ARG A 595 -11.919 1.892 -3.933 1.00 0.00 C ATOM 953 CG ARG A 595 -12.971 2.823 -3.352 1.00 0.00 C ATOM 954 CD ARG A 595 -13.433 3.849 -4.376 1.00 0.00 C ATOM 955 NE ARG A 595 -14.379 3.281 -5.332 1.00 0.00 N ATOM 956 CZ ARG A 595 -15.610 2.899 -5.009 1.00 0.00 C ATOM 957 NH1 ARG A 595 -16.041 3.024 -3.761 1.00 0.00 N ATOM 958 NH2 ARG A 595 -16.412 2.391 -5.936 1.00 0.00 N ATOM 0 H ARG A 595 -9.972 2.703 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.938 0.539 -2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.184 2.484 -4.478 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.393 1.228 -4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.825 2.240 -3.009 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.564 3.335 -2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -13.898 4.690 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -12.568 4.241 -4.911 1.00 0.00 H new ATOM 0 HE ARG A 595 -14.079 3.171 -6.301 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -15.427 3.414 -3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -16.986 2.730 -3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -16.084 2.294 -6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -17.357 2.098 -5.688 1.00 0.00 H new ATOM 972 N MET A 596 -9.099 0.379 -3.893 1.00 0.00 N ATOM 973 CA MET A 596 -8.168 -0.532 -4.550 1.00 0.00 C ATOM 974 C MET A 596 -7.477 -1.431 -3.530 1.00 0.00 C ATOM 975 O MET A 596 -7.428 -2.650 -3.696 1.00 0.00 O ATOM 976 CB MET A 596 -7.124 0.256 -5.343 1.00 0.00 C ATOM 977 CG MET A 596 -7.727 1.277 -6.295 1.00 0.00 C ATOM 978 SD MET A 596 -6.691 1.577 -7.739 1.00 0.00 S ATOM 979 CE MET A 596 -5.792 3.035 -7.215 1.00 0.00 C ATOM 0 H MET A 596 -8.724 1.312 -3.718 1.00 0.00 H new ATOM 0 HA MET A 596 -8.736 -1.160 -5.236 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.461 0.769 -4.646 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.510 -0.441 -5.913 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.707 0.929 -6.622 1.00 0.00 H new ATOM 0 HG3 MET A 596 -7.883 2.216 -5.763 1.00 0.00 H new ATOM 0 HE1 MET A 596 -6.152 3.903 -7.768 1.00 0.00 H new ATOM 0 HE2 MET A 596 -5.948 3.195 -6.148 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.729 2.896 -7.410 1.00 0.00 H new ATOM 989 N MET A 597 -6.943 -0.822 -2.476 1.00 0.00 N ATOM 990 CA MET A 597 -6.255 -1.569 -1.430 1.00 0.00 C ATOM 991 C MET A 597 -7.237 -2.432 -0.643 1.00 0.00 C ATOM 992 O MET A 597 -7.179 -3.660 -0.696 1.00 0.00 O ATOM 993 CB MET A 597 -5.528 -0.611 -0.484 1.00 0.00 C ATOM 994 CG MET A 597 -4.528 0.293 -1.185 1.00 0.00 C ATOM 995 SD MET A 597 -3.594 -0.565 -2.467 1.00 0.00 S ATOM 996 CE MET A 597 -1.970 -0.633 -1.714 1.00 0.00 C ATOM 0 H MET A 597 -6.974 0.186 -2.324 1.00 0.00 H new ATOM 0 HA MET A 597 -5.524 -2.223 -1.905 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.264 0.006 0.031 1.00 0.00 H new ATOM 0 HB3 MET A 597 -5.008 -1.191 0.279 1.00 0.00 H new ATOM 0 HG2 MET A 597 -5.056 1.137 -1.629 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.836 0.702 -0.449 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.566 -1.641 -1.810 1.00 0.00 H new ATOM 0 HE2 MET A 597 -1.307 0.073 -2.215 1.00 0.00 H new ATOM 0 HE3 MET A 597 -2.047 -0.372 -0.659 1.00 0.00 H new ATOM 1006 N ASN A 598 -8.137 -1.781 0.087 1.00 0.00 N ATOM 1007 CA ASN A 598 -9.130 -2.490 0.886 1.00 0.00 C ATOM 1008 C ASN A 598 -9.590 -3.761 0.179 1.00 0.00 C ATOM 1009 O ASN A 598 -10.465 -3.723 -0.685 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.332 -1.584 1.163 1.00 0.00 C ATOM 1011 CG ASN A 598 -11.225 -2.129 2.261 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -11.225 -1.623 3.384 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.991 -3.165 1.942 1.00 0.00 N ATOM 0 H ASN A 598 -8.199 -0.764 0.142 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.667 -2.769 1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.979 -0.592 1.444 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.914 -1.468 0.249 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.612 -3.574 2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -11.958 -3.552 0.999 1.00 0.00 H new ATOM 1020 N GLY A 599 -8.992 -4.889 0.553 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.353 -6.157 -0.054 1.00 0.00 C ATOM 1022 C GLY A 599 -8.163 -6.863 -0.672 1.00 0.00 C ATOM 1023 O GLY A 599 -8.321 -7.863 -1.372 1.00 0.00 O ATOM 0 H GLY A 599 -8.264 -4.947 1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -9.803 -6.802 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -10.109 -5.987 -0.820 1.00 0.00 H new ATOM 1027 N MET A 600 -6.968 -6.341 -0.415 1.00 0.00 N ATOM 1028 CA MET A 600 -5.747 -6.929 -0.953 1.00 0.00 C ATOM 1029 C MET A 600 -5.072 -7.822 0.083 1.00 0.00 C ATOM 1030 O MET A 600 -4.606 -7.347 1.119 1.00 0.00 O ATOM 1031 CB MET A 600 -4.781 -5.830 -1.402 1.00 0.00 C ATOM 1032 CG MET A 600 -4.103 -5.108 -0.249 1.00 0.00 C ATOM 1033 SD MET A 600 -3.299 -3.579 -0.764 1.00 0.00 S ATOM 1034 CE MET A 600 -2.159 -3.322 0.594 1.00 0.00 C ATOM 0 H MET A 600 -6.819 -5.513 0.162 1.00 0.00 H new ATOM 0 HA MET A 600 -6.017 -7.540 -1.814 1.00 0.00 H new ATOM 0 HB2 MET A 600 -4.017 -6.269 -2.044 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.325 -5.103 -2.005 1.00 0.00 H new ATOM 0 HG2 MET A 600 -4.843 -4.884 0.520 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.363 -5.768 0.203 1.00 0.00 H new ATOM 0 HE1 MET A 600 -2.557 -2.559 1.263 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.030 -4.255 1.143 1.00 0.00 H new ATOM 0 HE3 MET A 600 -1.195 -2.995 0.203 1.00 0.00 H new ATOM 1044 N LYS A 601 -5.022 -9.119 -0.203 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.404 -10.080 0.703 1.00 0.00 C ATOM 1046 C LYS A 601 -2.884 -10.046 0.577 1.00 0.00 C ATOM 1047 O LYS A 601 -2.320 -10.542 -0.399 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.919 -11.491 0.412 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.363 -11.709 0.826 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.704 -13.188 0.905 1.00 0.00 C ATOM 1051 CE LYS A 601 -7.868 -13.443 1.850 1.00 0.00 C ATOM 1052 NZ LYS A 601 -8.003 -14.887 2.188 1.00 0.00 N ATOM 0 H LYS A 601 -5.403 -9.529 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.673 -9.805 1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.822 -11.691 -0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.288 -12.213 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.539 -11.242 1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -7.025 -11.220 0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.954 -13.558 -0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.831 -13.746 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -7.726 -12.868 2.765 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.792 -13.090 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -8.807 -15.019 2.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -8.164 -15.434 1.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -7.131 -15.219 2.648 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.226 -9.459 1.571 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.770 -9.362 1.572 1.00 0.00 C ATOM 1068 C LEU A 602 -0.139 -10.651 2.087 1.00 0.00 C ATOM 1069 O LEU A 602 0.028 -10.834 3.293 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.319 -8.180 2.433 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.849 -6.807 2.019 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.144 -5.706 2.795 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.680 -6.600 0.521 1.00 0.00 C ATOM 0 H LEU A 602 -2.677 -9.043 2.386 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.440 -9.203 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.623 -8.369 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.770 -8.145 2.424 1.00 0.00 H new ATOM 0 HG LEU A 602 -1.913 -6.763 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.535 -4.736 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.318 -5.845 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.926 -5.747 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.063 -5.618 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.377 -6.664 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.233 -7.370 -0.017 1.00 0.00 H new ATOM 1085 N SER A 603 0.213 -11.542 1.165 1.00 0.00 N ATOM 1086 CA SER A 603 0.825 -12.815 1.526 1.00 0.00 C ATOM 1087 C SER A 603 -0.182 -13.722 2.226 1.00 0.00 C ATOM 1088 O SER A 603 0.190 -14.578 3.028 1.00 0.00 O ATOM 1089 CB SER A 603 2.036 -12.584 2.431 1.00 0.00 C ATOM 1090 OG SER A 603 2.983 -13.630 2.292 1.00 0.00 O ATOM 0 H SER A 603 0.085 -11.405 0.162 1.00 0.00 H new ATOM 0 HA SER A 603 1.154 -13.305 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.503 -11.631 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.711 -12.519 3.469 1.00 0.00 H new ATOM 0 HG SER A 603 3.748 -13.459 2.879 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.461 -13.528 1.916 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.502 -14.335 2.524 1.00 0.00 C ATOM 1098 C GLY A 604 -3.146 -13.651 3.714 1.00 0.00 C ATOM 1099 O GLY A 604 -3.835 -14.291 4.509 1.00 0.00 O ATOM 0 H GLY A 604 -1.794 -12.826 1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.266 -14.557 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -2.079 -15.288 2.842 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.922 -12.347 3.837 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.484 -11.576 4.939 1.00 0.00 C ATOM 1105 C ARG A 605 -4.405 -10.476 4.420 1.00 0.00 C ATOM 1106 O ARG A 605 -3.956 -9.534 3.768 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.364 -10.962 5.782 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.624 -11.974 6.641 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.093 -11.339 7.917 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.470 -12.322 8.799 1.00 0.00 N ATOM 1111 CZ ARG A 605 -1.148 -13.074 9.659 1.00 0.00 C ATOM 1112 NH1 ARG A 605 -2.466 -12.956 9.752 1.00 0.00 N ATOM 1113 NH2 ARG A 605 -0.509 -13.947 10.427 1.00 0.00 N ATOM 0 H ARG A 605 -2.355 -11.802 3.187 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.070 -12.253 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.651 -10.469 5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.787 -10.191 6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.293 -12.797 6.894 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.796 -12.399 6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.366 -10.568 7.663 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.910 -10.846 8.444 1.00 0.00 H new ATOM 0 HE ARG A 605 0.542 -12.438 8.752 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -2.961 -12.287 9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -2.984 -13.534 10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 605 0.504 -14.041 10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -1.031 -14.524 11.087 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.695 -10.605 4.713 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.680 -9.622 4.273 1.00 0.00 C ATOM 1129 C GLU A 606 -6.606 -8.360 5.127 1.00 0.00 C ATOM 1130 O GLU A 606 -6.462 -8.431 6.348 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.089 -10.215 4.339 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.021 -9.690 3.260 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.472 -9.677 3.698 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.775 -9.033 4.724 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.304 -10.310 3.015 1.00 0.00 O ATOM 0 H GLU A 606 -6.083 -11.379 5.252 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.455 -9.355 3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.022 -11.300 4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.520 -9.998 5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.719 -8.679 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -8.921 -10.307 2.367 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.706 -7.206 4.476 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.652 -5.928 5.175 1.00 0.00 C ATOM 1144 C ILE A 607 -7.825 -5.036 4.782 1.00 0.00 C ATOM 1145 O ILE A 607 -8.368 -5.156 3.684 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.336 -5.183 4.885 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.082 -5.120 3.377 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.175 -5.863 5.595 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.759 -4.483 3.013 1.00 0.00 C ATOM 0 H ILE A 607 -6.825 -7.130 3.466 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.708 -6.149 6.241 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.421 -4.164 5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.114 -6.130 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -5.888 -4.559 2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.252 -5.325 5.380 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.355 -5.861 6.670 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.086 -6.891 5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.646 -4.472 1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.731 -3.461 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -2.945 -5.056 3.457 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.209 -4.141 5.686 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.316 -3.226 5.433 1.00 0.00 C ATOM 1163 C ASP A 608 -8.830 -1.781 5.399 1.00 0.00 C ATOM 1164 O ASP A 608 -8.415 -1.230 6.419 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.396 -3.389 6.504 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.383 -4.490 6.169 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -11.845 -4.541 5.010 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.692 -5.302 7.066 1.00 0.00 O ATOM 0 H ASP A 608 -7.770 -4.030 6.600 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.741 -3.470 4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -9.924 -3.608 7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -10.933 -2.447 6.621 1.00 0.00 H new ATOM 1173 N VAL A 609 -8.882 -1.172 4.219 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.447 0.210 4.051 1.00 0.00 C ATOM 1175 C VAL A 609 -9.640 1.152 3.942 1.00 0.00 C ATOM 1176 O VAL A 609 -10.413 1.084 2.987 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.563 0.372 2.801 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -6.947 1.762 2.758 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.483 -0.699 2.769 1.00 0.00 C ATOM 0 H VAL A 609 -9.221 -1.614 3.365 1.00 0.00 H new ATOM 0 HA VAL A 609 -7.864 0.468 4.935 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.190 0.251 1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.326 1.857 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.739 2.510 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.334 1.916 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -5.868 -0.569 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -5.858 -0.612 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -6.948 -1.684 2.748 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.784 2.033 4.928 1.00 0.00 N ATOM 1190 CA ARG A 610 -10.883 2.990 4.943 1.00 0.00 C ATOM 1191 C ARG A 610 -10.371 4.403 5.206 1.00 0.00 C ATOM 1192 O ARG A 610 -9.254 4.588 5.691 1.00 0.00 O ATOM 1193 CB ARG A 610 -11.910 2.601 6.009 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.267 1.124 6.001 1.00 0.00 C ATOM 1195 CD ARG A 610 -12.938 0.719 4.698 1.00 0.00 C ATOM 1196 NE ARG A 610 -14.379 0.956 4.728 1.00 0.00 N ATOM 1197 CZ ARG A 610 -15.218 0.283 5.508 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -14.761 -0.662 6.319 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -16.516 0.556 5.479 1.00 0.00 N ATOM 0 H ARG A 610 -9.153 2.103 5.726 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.361 2.973 3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.519 2.866 6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.817 3.186 5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -11.365 0.530 6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.931 0.905 6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -12.496 1.278 3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -12.748 -0.337 4.505 1.00 0.00 H new ATOM 0 HE ARG A 610 -14.762 1.677 4.117 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -13.763 -0.873 6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -15.407 -1.177 6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -16.870 1.283 4.858 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -17.159 0.039 6.078 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.194 5.395 4.883 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.824 6.790 5.085 1.00 0.00 C ATOM 1215 C ILE A 611 -10.805 7.145 6.568 1.00 0.00 C ATOM 1216 O ILE A 611 -11.747 6.842 7.301 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.790 7.740 4.353 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.584 7.646 2.840 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.591 9.170 4.832 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.327 8.334 2.357 1.00 0.00 C ATOM 0 H ILE A 611 -12.121 5.258 4.480 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.823 6.914 4.672 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.813 7.440 4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.547 6.596 2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.445 8.085 2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.281 9.829 4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.783 9.225 5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.566 9.482 4.631 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.246 8.227 1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.370 9.392 2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.458 7.880 2.833 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.728 7.789 7.003 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.588 8.189 8.398 1.00 0.00 C ATOM 1234 C ASP A 612 -9.749 9.698 8.550 1.00 0.00 C ATOM 1235 O ASP A 612 -8.791 10.454 8.391 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.227 7.751 8.942 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.247 7.527 10.441 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -9.286 7.067 10.959 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -7.223 7.811 11.096 1.00 0.00 O ATOM 0 H ASP A 612 -8.939 8.045 6.410 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.375 7.699 8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -7.919 6.831 8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.482 8.509 8.701 1.00 0.00 H new