USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 880 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 631 TYR OH : rot 30:sc= 0.837 USER MOD Set 1.2: A 656 LYS NZ :NH3+ -113:sc= 0.466 (180deg=0.632) USER MOD Single : A 589 LYS NZ :NH3+ 146:sc=-0.00827 (180deg=-0.154) USER MOD Single : A 592 HIS : no HD1:sc= -0.259 K(o=-0.26,f=-0.93) USER MOD Single : A 594 HIS : no HE2:sc= 0.89 K(o=0.89,f=-5.1!) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.0603 USER MOD Single : A 597 GLN : amide:sc= 0.835 K(o=0.83,f=-8.9!) USER MOD Single : A 601 SER OG : rot 5:sc= -0.217 USER MOD Single : A 602 HIS : no HE2:sc= 0.0574 K(o=0.057,f=-1.4) USER MOD Single : A 605 HIS :FLIP no HE2:sc= 0.698 F(o=-2.2!,f=0.7) USER MOD Single : A 606 LYS NZ :NH3+ -160:sc= -0.193 (180deg=-0.639) USER MOD Single : A 609 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 614 THR OG1 : rot 42:sc= 0.289 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl -175:sc= -0.878 (180deg=-0.886) USER MOD Single : A 627 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 633 LYS NZ :NH3+ 154:sc= -1.04 (180deg=-3.48!) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 MET CE :methyl 171:sc= -0.107 (180deg=-0.307) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot -49:sc= 0.922 USER MOD Single : A 644 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.14) USER MOD Single : A 645 SER OG : rot 180:sc= -0.201 USER MOD Single : A 649 TYR OH : rot 30:sc= -0.434 USER MOD Single : A 650 TYR OH : rot -170:sc= -1.02 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ -149:sc= -0.584 (180deg=-1.59!) USER MOD Single : A 661 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 662 LYS NZ :NH3+ 145:sc= 0.97 (180deg=0.178) USER MOD Single : A 667 LYS NZ :NH3+ -176:sc= 0.766 (180deg=0.642) USER MOD Single : A 670 SER OG : rot -37:sc= 0.346 USER MOD Single : B 843 ASN :FLIP amide:sc= -0.0135 F(o=-0.99,f=-0.014) USER MOD Single : B 847 SER OG : rot 180:sc= 0 USER MOD Single : B 850 MET CE :methyl -116:sc= -1.35 (180deg=-2.75!) USER MOD Single : B 855 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 856 ASN : amide:sc= -0.69 X(o=-0.69,f=-0.71) USER MOD Single : B 857 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 586 30.454 -0.531 -1.631 1.00 0.00 N ATOM 2 CA GLY A 586 31.098 0.554 -0.922 1.00 0.00 C ATOM 3 C GLY A 586 30.486 0.822 0.431 1.00 0.00 C ATOM 4 O GLY A 586 29.510 0.176 0.812 1.00 0.00 O ATOM 0 HA2 GLY A 586 32.155 0.321 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 586 31.041 1.460 -1.526 1.00 0.00 H new ATOM 8 N VAL A 587 31.046 1.827 1.109 1.00 0.00 N ATOM 9 CA VAL A 587 30.699 2.203 2.496 1.00 0.00 C ATOM 10 C VAL A 587 30.520 0.982 3.421 1.00 0.00 C ATOM 11 O VAL A 587 30.894 -0.137 3.070 1.00 0.00 O ATOM 12 CB VAL A 587 29.446 3.125 2.552 1.00 0.00 C ATOM 13 CG1 VAL A 587 29.683 4.382 1.729 1.00 0.00 C ATOM 14 CG2 VAL A 587 28.181 2.424 2.072 1.00 0.00 C ATOM 0 H VAL A 587 31.771 2.420 0.706 1.00 0.00 H new ATOM 0 HA VAL A 587 31.552 2.767 2.872 1.00 0.00 H new ATOM 0 HB VAL A 587 29.293 3.390 3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 587 28.800 5.019 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 587 30.542 4.922 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 587 29.878 4.107 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 587 27.338 3.113 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 587 28.313 2.102 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 587 27.985 1.555 2.701 1.00 0.00 H new ATOM 24 N ARG A 588 30.011 1.200 4.632 1.00 0.00 N ATOM 25 CA ARG A 588 29.712 0.083 5.525 1.00 0.00 C ATOM 26 C ARG A 588 28.202 -0.093 5.672 1.00 0.00 C ATOM 27 O ARG A 588 27.731 -1.094 6.216 1.00 0.00 O ATOM 28 CB ARG A 588 30.399 0.270 6.896 1.00 0.00 C ATOM 29 CG ARG A 588 29.890 1.439 7.741 1.00 0.00 C ATOM 30 CD ARG A 588 28.618 1.093 8.509 1.00 0.00 C ATOM 31 NE ARG A 588 28.831 -0.013 9.442 1.00 0.00 N ATOM 32 CZ ARG A 588 27.852 -0.721 10.006 1.00 0.00 C ATOM 33 NH1 ARG A 588 26.579 -0.441 9.746 1.00 0.00 N ATOM 34 NH2 ARG A 588 28.150 -1.709 10.837 1.00 0.00 N ATOM 0 H ARG A 588 29.800 2.123 5.012 1.00 0.00 H new ATOM 0 HA ARG A 588 30.114 -0.829 5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 588 30.278 -0.649 7.470 1.00 0.00 H new ATOM 0 HB3 ARG A 588 31.468 0.404 6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 588 30.666 1.739 8.445 1.00 0.00 H new ATOM 0 HG3 ARG A 588 29.699 2.295 7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 588 28.275 1.970 9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 588 27.829 0.828 7.805 1.00 0.00 H new ATOM 0 HE ARG A 588 29.793 -0.259 9.677 1.00 0.00 H new ATOM 0 HH11 ARG A 588 26.344 0.321 9.110 1.00 0.00 H new ATOM 0 HH12 ARG A 588 25.837 -0.988 10.182 1.00 0.00 H new ATOM 0 HH21 ARG A 588 29.125 -1.925 11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 588 27.404 -2.253 11.271 1.00 0.00 H new ATOM 48 N LYS A 589 27.453 0.885 5.185 1.00 0.00 N ATOM 49 CA LYS A 589 25.999 0.833 5.234 1.00 0.00 C ATOM 50 C LYS A 589 25.439 0.684 3.827 1.00 0.00 C ATOM 51 O LYS A 589 25.274 1.655 3.090 1.00 0.00 O ATOM 52 CB LYS A 589 25.444 2.080 5.952 1.00 0.00 C ATOM 53 CG LYS A 589 23.945 2.324 5.789 1.00 0.00 C ATOM 54 CD LYS A 589 23.658 3.404 4.752 1.00 0.00 C ATOM 55 CE LYS A 589 22.178 3.746 4.680 1.00 0.00 C ATOM 56 NZ LYS A 589 21.696 4.402 5.924 1.00 0.00 N ATOM 0 H LYS A 589 27.830 1.727 4.750 1.00 0.00 H new ATOM 0 HA LYS A 589 25.683 -0.038 5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 589 25.666 1.993 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 589 25.978 2.956 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 589 23.456 1.396 5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 589 23.518 2.618 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 589 24.226 4.302 4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 589 24.000 3.067 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 589 21.999 4.405 3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 589 21.604 2.836 4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 20.960 5.098 5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 21.300 3.684 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 22.490 4.883 6.393 1.00 0.00 H new ATOM 70 N GLY A 590 25.204 -0.553 3.441 1.00 0.00 N ATOM 71 CA GLY A 590 24.646 -0.830 2.150 1.00 0.00 C ATOM 72 C GLY A 590 23.933 -2.161 2.108 1.00 0.00 C ATOM 73 O GLY A 590 24.330 -3.064 1.372 1.00 0.00 O ATOM 0 H GLY A 590 25.394 -1.378 4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 590 23.948 -0.038 1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 590 25.440 -0.822 1.404 1.00 0.00 H new ATOM 77 N TRP A 591 22.882 -2.290 2.902 1.00 0.00 N ATOM 78 CA TRP A 591 22.074 -3.500 2.889 1.00 0.00 C ATOM 79 C TRP A 591 21.059 -3.415 1.757 1.00 0.00 C ATOM 80 O TRP A 591 21.000 -4.274 0.880 1.00 0.00 O ATOM 81 CB TRP A 591 21.321 -3.705 4.214 1.00 0.00 C ATOM 82 CG TRP A 591 21.612 -2.697 5.289 1.00 0.00 C ATOM 83 CD1 TRP A 591 22.459 -2.845 6.352 1.00 0.00 C ATOM 84 CD2 TRP A 591 21.032 -1.393 5.419 1.00 0.00 C ATOM 85 NE1 TRP A 591 22.431 -1.715 7.137 1.00 0.00 N ATOM 86 CE2 TRP A 591 21.565 -0.809 6.582 1.00 0.00 C ATOM 87 CE3 TRP A 591 20.109 -0.664 4.664 1.00 0.00 C ATOM 88 CZ2 TRP A 591 21.205 0.471 7.004 1.00 0.00 C ATOM 89 CZ3 TRP A 591 19.756 0.602 5.083 1.00 0.00 C ATOM 90 CH2 TRP A 591 20.303 1.159 6.243 1.00 0.00 C ATOM 0 H TRP A 591 22.569 -1.576 3.560 1.00 0.00 H new ATOM 0 HA TRP A 591 22.747 -4.345 2.746 1.00 0.00 H new ATOM 0 HB2 TRP A 591 20.251 -3.692 4.009 1.00 0.00 H new ATOM 0 HB3 TRP A 591 21.560 -4.697 4.597 1.00 0.00 H new ATOM 0 HD1 TRP A 591 23.061 -3.720 6.547 1.00 0.00 H new ATOM 0 HE1 TRP A 591 22.968 -1.574 7.993 1.00 0.00 H new ATOM 0 HE3 TRP A 591 19.679 -1.085 3.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 591 21.625 0.903 7.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 591 19.045 1.173 4.505 1.00 0.00 H new ATOM 0 HH2 TRP A 591 20.006 2.153 6.543 1.00 0.00 H new ATOM 101 N HIS A 592 20.276 -2.345 1.781 1.00 0.00 N ATOM 102 CA HIS A 592 19.194 -2.141 0.829 1.00 0.00 C ATOM 103 C HIS A 592 19.637 -1.249 -0.318 1.00 0.00 C ATOM 104 O HIS A 592 18.822 -0.867 -1.150 1.00 0.00 O ATOM 105 CB HIS A 592 17.958 -1.553 1.517 1.00 0.00 C ATOM 106 CG HIS A 592 17.137 -2.571 2.244 1.00 0.00 C ATOM 107 ND1 HIS A 592 17.123 -2.700 3.616 1.00 0.00 N ATOM 108 CD2 HIS A 592 16.279 -3.509 1.775 1.00 0.00 C ATOM 109 CE1 HIS A 592 16.300 -3.671 3.955 1.00 0.00 C ATOM 110 NE2 HIS A 592 15.771 -4.179 2.859 1.00 0.00 N ATOM 0 H HIS A 592 20.374 -1.593 2.463 1.00 0.00 H new ATOM 0 HA HIS A 592 18.926 -3.116 0.421 1.00 0.00 H new ATOM 0 HB2 HIS A 592 18.276 -0.784 2.221 1.00 0.00 H new ATOM 0 HB3 HIS A 592 17.335 -1.062 0.769 1.00 0.00 H new ATOM 0 HD2 HIS A 592 16.039 -3.695 0.739 1.00 0.00 H new ATOM 0 HE1 HIS A 592 16.093 -3.997 4.964 1.00 0.00 H new ATOM 0 HE2 HIS A 592 15.096 -4.943 2.823 1.00 0.00 H new ATOM 119 N GLU A 593 20.925 -0.906 -0.340 1.00 0.00 N ATOM 120 CA GLU A 593 21.464 0.095 -1.259 1.00 0.00 C ATOM 121 C GLU A 593 21.071 -0.137 -2.722 1.00 0.00 C ATOM 122 O GLU A 593 21.002 0.811 -3.503 1.00 0.00 O ATOM 123 CB GLU A 593 22.990 0.180 -1.100 1.00 0.00 C ATOM 124 CG GLU A 593 23.760 -1.132 -1.283 1.00 0.00 C ATOM 125 CD GLU A 593 23.858 -1.594 -2.719 1.00 0.00 C ATOM 126 OE1 GLU A 593 24.282 -0.796 -3.578 1.00 0.00 O ATOM 127 OE2 GLU A 593 23.513 -2.764 -2.994 1.00 0.00 O ATOM 0 H GLU A 593 21.624 -1.315 0.280 1.00 0.00 H new ATOM 0 HA GLU A 593 21.014 1.050 -0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 593 23.370 0.905 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 593 23.210 0.572 -0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 593 24.766 -1.009 -0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 593 23.275 -1.911 -0.694 1.00 0.00 H new ATOM 134 N HIS A 594 20.810 -1.386 -3.097 1.00 0.00 N ATOM 135 CA HIS A 594 20.362 -1.696 -4.456 1.00 0.00 C ATOM 136 C HIS A 594 18.855 -1.496 -4.606 1.00 0.00 C ATOM 137 O HIS A 594 18.196 -2.192 -5.378 1.00 0.00 O ATOM 138 CB HIS A 594 20.773 -3.120 -4.869 1.00 0.00 C ATOM 139 CG HIS A 594 20.536 -4.165 -3.820 1.00 0.00 C ATOM 140 ND1 HIS A 594 21.478 -4.490 -2.870 1.00 0.00 N ATOM 141 CD2 HIS A 594 19.468 -4.960 -3.575 1.00 0.00 C ATOM 142 CE1 HIS A 594 21.004 -5.441 -2.089 1.00 0.00 C ATOM 143 NE2 HIS A 594 19.785 -5.746 -2.494 1.00 0.00 N ATOM 0 H HIS A 594 20.899 -2.197 -2.485 1.00 0.00 H new ATOM 0 HA HIS A 594 20.858 -0.997 -5.130 1.00 0.00 H new ATOM 0 HB2 HIS A 594 20.224 -3.396 -5.769 1.00 0.00 H new ATOM 0 HB3 HIS A 594 21.832 -3.118 -5.129 1.00 0.00 H new ATOM 0 HD1 HIS A 594 22.400 -4.062 -2.784 1.00 0.00 H new ATOM 0 HD2 HIS A 594 18.540 -4.974 -4.127 1.00 0.00 H new ATOM 0 HE1 HIS A 594 21.525 -5.894 -1.258 1.00 0.00 H new ATOM 152 N VAL A 595 18.319 -0.565 -3.829 1.00 0.00 N ATOM 153 CA VAL A 595 16.958 -0.084 -3.996 1.00 0.00 C ATOM 154 C VAL A 595 16.961 1.439 -3.917 1.00 0.00 C ATOM 155 O VAL A 595 17.586 2.015 -3.024 1.00 0.00 O ATOM 156 CB VAL A 595 16.013 -0.634 -2.903 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.632 0.010 -2.991 1.00 0.00 C ATOM 158 CG2 VAL A 595 15.902 -2.148 -2.984 1.00 0.00 C ATOM 0 H VAL A 595 18.821 -0.120 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 595 16.595 -0.430 -4.964 1.00 0.00 H new ATOM 0 HB VAL A 595 16.446 -0.376 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 595 13.990 -0.397 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.724 1.088 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 595 14.194 -0.200 -3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 595 15.231 -2.506 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.508 -2.432 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 595 16.888 -2.593 -2.847 1.00 0.00 H new ATOM 168 N THR A 596 16.290 2.090 -4.851 1.00 0.00 N ATOM 169 CA THR A 596 16.205 3.538 -4.844 1.00 0.00 C ATOM 170 C THR A 596 14.964 4.006 -4.084 1.00 0.00 C ATOM 171 O THR A 596 13.990 3.261 -3.945 1.00 0.00 O ATOM 172 CB THR A 596 16.206 4.107 -6.285 1.00 0.00 C ATOM 173 OG1 THR A 596 15.951 5.517 -6.274 1.00 0.00 O ATOM 174 CG2 THR A 596 15.174 3.407 -7.157 1.00 0.00 C ATOM 0 H THR A 596 15.797 1.639 -5.622 1.00 0.00 H new ATOM 0 HA THR A 596 17.088 3.919 -4.331 1.00 0.00 H new ATOM 0 HB THR A 596 17.195 3.926 -6.706 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.957 5.858 -7.193 1.00 0.00 H new ATOM 0 HG21 THR A 596 15.200 3.829 -8.162 1.00 0.00 H new ATOM 0 HG22 THR A 596 15.401 2.342 -7.205 1.00 0.00 H new ATOM 0 HG23 THR A 596 14.181 3.548 -6.730 1.00 0.00 H new ATOM 182 N GLN A 597 15.007 5.238 -3.592 1.00 0.00 N ATOM 183 CA GLN A 597 13.896 5.810 -2.845 1.00 0.00 C ATOM 184 C GLN A 597 12.676 5.945 -3.747 1.00 0.00 C ATOM 185 O GLN A 597 11.544 5.713 -3.321 1.00 0.00 O ATOM 186 CB GLN A 597 14.288 7.168 -2.253 1.00 0.00 C ATOM 187 CG GLN A 597 13.165 7.845 -1.482 1.00 0.00 C ATOM 188 CD GLN A 597 12.581 6.965 -0.394 1.00 0.00 C ATOM 189 OE1 GLN A 597 13.265 6.120 0.185 1.00 0.00 O ATOM 190 NE2 GLN A 597 11.305 7.155 -0.115 1.00 0.00 N ATOM 0 H GLN A 597 15.806 5.863 -3.699 1.00 0.00 H new ATOM 0 HA GLN A 597 13.646 5.143 -2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 597 15.142 7.032 -1.590 1.00 0.00 H new ATOM 0 HB3 GLN A 597 14.612 7.826 -3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 597 13.542 8.765 -1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 597 12.374 8.129 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 597 10.773 7.866 -0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 597 10.851 6.591 0.603 1.00 0.00 H new ATOM 199 N ASP A 598 12.928 6.317 -4.998 1.00 0.00 N ATOM 200 CA ASP A 598 11.867 6.451 -5.991 1.00 0.00 C ATOM 201 C ASP A 598 11.080 5.152 -6.104 1.00 0.00 C ATOM 202 O ASP A 598 9.858 5.167 -6.266 1.00 0.00 O ATOM 203 CB ASP A 598 12.430 6.837 -7.361 1.00 0.00 C ATOM 204 CG ASP A 598 11.338 6.998 -8.402 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.798 8.115 -8.536 1.00 0.00 O ATOM 206 OD2 ASP A 598 11.006 6.003 -9.085 1.00 0.00 O ATOM 0 H ASP A 598 13.861 6.532 -5.349 1.00 0.00 H new ATOM 0 HA ASP A 598 11.202 7.248 -5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.987 7.770 -7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 598 13.135 6.074 -7.691 1.00 0.00 H new ATOM 211 N LEU A 599 11.792 4.029 -6.030 1.00 0.00 N ATOM 212 CA LEU A 599 11.163 2.721 -6.074 1.00 0.00 C ATOM 213 C LEU A 599 10.146 2.576 -4.947 1.00 0.00 C ATOM 214 O LEU A 599 8.997 2.211 -5.184 1.00 0.00 O ATOM 215 CB LEU A 599 12.222 1.610 -5.982 1.00 0.00 C ATOM 216 CG LEU A 599 11.741 0.241 -6.451 1.00 0.00 C ATOM 217 CD1 LEU A 599 11.355 0.311 -7.916 1.00 0.00 C ATOM 218 CD2 LEU A 599 12.812 -0.817 -6.226 1.00 0.00 C ATOM 0 H LEU A 599 12.808 4.004 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 599 10.641 2.626 -7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 599 13.088 1.900 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.557 1.529 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 599 10.866 -0.044 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 599 11.012 -0.668 -8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.555 1.040 -8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 599 12.220 0.612 -8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.445 -1.785 -6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.709 -0.551 -6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 599 13.049 -0.874 -5.164 1.00 0.00 H new ATOM 230 N ARG A 600 10.567 2.900 -3.728 1.00 0.00 N ATOM 231 CA ARG A 600 9.699 2.771 -2.560 1.00 0.00 C ATOM 232 C ARG A 600 8.509 3.720 -2.642 1.00 0.00 C ATOM 233 O ARG A 600 7.368 3.315 -2.417 1.00 0.00 O ATOM 234 CB ARG A 600 10.471 3.028 -1.262 1.00 0.00 C ATOM 235 CG ARG A 600 11.608 2.049 -1.018 1.00 0.00 C ATOM 236 CD ARG A 600 12.000 2.005 0.452 1.00 0.00 C ATOM 237 NE ARG A 600 12.409 3.314 0.962 1.00 0.00 N ATOM 238 CZ ARG A 600 12.391 3.648 2.254 1.00 0.00 C ATOM 239 NH1 ARG A 600 11.957 2.785 3.167 1.00 0.00 N ATOM 240 NH2 ARG A 600 12.796 4.855 2.627 1.00 0.00 N ATOM 0 H ARG A 600 11.502 3.253 -3.523 1.00 0.00 H new ATOM 0 HA ARG A 600 9.329 1.746 -2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.875 4.040 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.777 2.981 -0.423 1.00 0.00 H new ATOM 0 HG2 ARG A 600 11.309 1.053 -1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.472 2.336 -1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 600 11.158 1.637 1.038 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.816 1.295 0.586 1.00 0.00 H new ATOM 0 HE ARG A 600 12.727 4.013 0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 600 11.635 1.860 2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 600 11.946 3.048 4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 600 13.119 5.523 1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 600 12.784 5.115 3.613 1.00 0.00 H new ATOM 254 N SER A 601 8.777 4.974 -2.984 1.00 0.00 N ATOM 255 CA SER A 601 7.741 5.995 -3.007 1.00 0.00 C ATOM 256 C SER A 601 6.671 5.674 -4.045 1.00 0.00 C ATOM 257 O SER A 601 5.477 5.847 -3.792 1.00 0.00 O ATOM 258 CB SER A 601 8.358 7.374 -3.265 1.00 0.00 C ATOM 259 OG SER A 601 9.211 7.356 -4.400 1.00 0.00 O ATOM 0 H SER A 601 9.704 5.307 -3.249 1.00 0.00 H new ATOM 0 HA SER A 601 7.257 6.010 -2.031 1.00 0.00 H new ATOM 0 HB2 SER A 601 7.565 8.107 -3.416 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.923 7.691 -2.388 1.00 0.00 H new ATOM 0 HG SER A 601 9.167 6.476 -4.829 1.00 0.00 H new ATOM 265 N HIS A 602 7.099 5.186 -5.205 1.00 0.00 N ATOM 266 CA HIS A 602 6.168 4.832 -6.267 1.00 0.00 C ATOM 267 C HIS A 602 5.233 3.704 -5.824 1.00 0.00 C ATOM 268 O HIS A 602 4.041 3.725 -6.129 1.00 0.00 O ATOM 269 CB HIS A 602 6.908 4.461 -7.561 1.00 0.00 C ATOM 270 CG HIS A 602 6.925 5.572 -8.562 1.00 0.00 C ATOM 271 ND1 HIS A 602 8.068 6.261 -8.907 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.925 6.114 -9.294 1.00 0.00 C ATOM 273 CE1 HIS A 602 7.766 7.181 -9.805 1.00 0.00 C ATOM 274 NE2 HIS A 602 6.474 7.112 -10.057 1.00 0.00 N ATOM 0 H HIS A 602 8.081 5.028 -5.432 1.00 0.00 H new ATOM 0 HA HIS A 602 5.558 5.711 -6.478 1.00 0.00 H new ATOM 0 HB2 HIS A 602 7.933 4.181 -7.319 1.00 0.00 H new ATOM 0 HB3 HIS A 602 6.435 3.586 -8.006 1.00 0.00 H new ATOM 0 HD1 HIS A 602 8.999 6.088 -8.529 1.00 0.00 H new ATOM 0 HD2 HIS A 602 4.887 5.816 -9.280 1.00 0.00 H new ATOM 0 HE1 HIS A 602 8.461 7.873 -10.257 1.00 0.00 H new ATOM 283 N LEU A 603 5.778 2.736 -5.093 1.00 0.00 N ATOM 284 CA LEU A 603 5.012 1.587 -4.626 1.00 0.00 C ATOM 285 C LEU A 603 3.922 1.997 -3.639 1.00 0.00 C ATOM 286 O LEU A 603 2.819 1.451 -3.665 1.00 0.00 O ATOM 287 CB LEU A 603 5.950 0.551 -4.009 1.00 0.00 C ATOM 288 CG LEU A 603 6.996 -0.009 -4.982 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.117 -0.710 -4.234 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.345 -0.958 -5.978 1.00 0.00 C ATOM 0 H LEU A 603 6.758 2.726 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 603 4.511 1.141 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.464 1.003 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.355 -0.274 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 603 7.428 0.828 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 603 8.844 -1.097 -4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.606 -0.002 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.706 -1.534 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.102 -1.345 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 603 5.882 -1.786 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 603 5.584 -0.423 -6.546 1.00 0.00 H new ATOM 302 N VAL A 604 4.226 2.965 -2.779 1.00 0.00 N ATOM 303 CA VAL A 604 3.273 3.406 -1.762 1.00 0.00 C ATOM 304 C VAL A 604 2.035 4.015 -2.414 1.00 0.00 C ATOM 305 O VAL A 604 0.904 3.702 -2.039 1.00 0.00 O ATOM 306 CB VAL A 604 3.890 4.443 -0.796 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.832 4.992 0.145 1.00 0.00 C ATOM 308 CG2 VAL A 604 5.018 3.828 0.007 1.00 0.00 C ATOM 0 H VAL A 604 5.119 3.457 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 604 2.997 2.521 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 604 4.291 5.260 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.286 5.720 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.045 5.474 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.405 4.176 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.436 4.577 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.635 2.990 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.795 3.474 -0.670 1.00 0.00 H new ATOM 318 N HIS A 605 2.259 4.874 -3.403 1.00 0.00 N ATOM 319 CA HIS A 605 1.157 5.527 -4.109 1.00 0.00 C ATOM 320 C HIS A 605 0.293 4.495 -4.820 1.00 0.00 C ATOM 321 O HIS A 605 -0.926 4.627 -4.864 1.00 0.00 O ATOM 322 CB HIS A 605 1.661 6.581 -5.104 1.00 0.00 C ATOM 323 CG HIS A 605 2.250 7.798 -4.450 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.473 8.015 -3.914 1.00 0.00 N flip ATOM 325 CD2 HIS A 605 1.556 8.978 -4.295 1.00 0.00 C flip ATOM 326 CE1 HIS A 605 3.494 9.306 -3.451 1.00 0.00 C flip ATOM 327 NE2 HIS A 605 2.327 9.864 -3.693 1.00 0.00 N flip ATOM 0 H HIS A 605 3.188 5.135 -3.734 1.00 0.00 H new ATOM 0 HA HIS A 605 0.551 6.042 -3.364 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.413 6.127 -5.750 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.834 6.888 -5.744 1.00 0.00 H new ATOM 0 HD1 HIS A 605 4.238 7.343 -3.863 1.00 0.00 H new ATOM 0 HD2 HIS A 605 0.539 9.151 -4.616 1.00 0.00 H new ATOM 0 HE1 HIS A 605 4.332 9.786 -2.967 1.00 0.00 H new ATOM 336 N LYS A 606 0.929 3.473 -5.382 1.00 0.00 N ATOM 337 CA LYS A 606 0.201 2.389 -6.035 1.00 0.00 C ATOM 338 C LYS A 606 -0.726 1.683 -5.050 1.00 0.00 C ATOM 339 O LYS A 606 -1.854 1.324 -5.393 1.00 0.00 O ATOM 340 CB LYS A 606 1.167 1.380 -6.654 1.00 0.00 C ATOM 341 CG LYS A 606 1.949 1.940 -7.826 1.00 0.00 C ATOM 342 CD LYS A 606 2.810 0.875 -8.480 1.00 0.00 C ATOM 343 CE LYS A 606 3.442 1.391 -9.761 1.00 0.00 C ATOM 344 NZ LYS A 606 2.417 1.861 -10.730 1.00 0.00 N ATOM 0 H LYS A 606 1.944 3.372 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.403 2.828 -6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 606 1.865 1.040 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 606 0.606 0.506 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 606 1.259 2.353 -8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 606 2.580 2.761 -7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 606 3.590 0.559 -7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 606 2.203 -0.003 -8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 606 4.123 2.209 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 606 4.038 0.600 -10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 2.827 1.884 -11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 1.604 1.212 -10.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 2.102 2.816 -10.466 1.00 0.00 H new ATOM 358 N LEU A 607 -0.241 1.476 -3.831 1.00 0.00 N ATOM 359 CA LEU A 607 -1.044 0.864 -2.784 1.00 0.00 C ATOM 360 C LEU A 607 -2.215 1.776 -2.421 1.00 0.00 C ATOM 361 O LEU A 607 -3.339 1.313 -2.225 1.00 0.00 O ATOM 362 CB LEU A 607 -0.173 0.557 -1.559 1.00 0.00 C ATOM 363 CG LEU A 607 -0.776 -0.426 -0.549 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.326 -1.101 0.244 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.734 0.279 0.399 1.00 0.00 C ATOM 0 H LEU A 607 0.706 1.724 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.452 -0.079 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.780 0.157 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 607 0.042 1.493 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 607 -1.335 -1.178 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 607 -0.114 -1.797 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 607 0.982 -1.645 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 607 0.903 -0.347 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.146 -0.443 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.199 1.055 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.545 0.731 -0.173 1.00 0.00 H new ATOM 377 N VAL A 608 -1.948 3.077 -2.348 1.00 0.00 N ATOM 378 CA VAL A 608 -3.000 4.063 -2.119 1.00 0.00 C ATOM 379 C VAL A 608 -4.016 4.024 -3.258 1.00 0.00 C ATOM 380 O VAL A 608 -5.222 4.044 -3.030 1.00 0.00 O ATOM 381 CB VAL A 608 -2.415 5.489 -1.995 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.518 6.536 -1.919 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.508 5.586 -0.779 1.00 0.00 C ATOM 0 H VAL A 608 -1.013 3.473 -2.444 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.494 3.811 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.826 5.688 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.073 7.527 -1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.127 6.489 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.144 6.342 -1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.104 6.596 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -2.080 5.358 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.689 4.874 -0.878 1.00 0.00 H new ATOM 393 N GLN A 609 -3.505 3.951 -4.484 1.00 0.00 N ATOM 394 CA GLN A 609 -4.336 3.845 -5.678 1.00 0.00 C ATOM 395 C GLN A 609 -5.248 2.626 -5.593 1.00 0.00 C ATOM 396 O GLN A 609 -6.407 2.674 -6.008 1.00 0.00 O ATOM 397 CB GLN A 609 -3.458 3.759 -6.929 1.00 0.00 C ATOM 398 CG GLN A 609 -4.248 3.730 -8.228 1.00 0.00 C ATOM 399 CD GLN A 609 -3.368 3.562 -9.453 1.00 0.00 C ATOM 400 OE1 GLN A 609 -2.147 4.073 -9.392 1.00 0.00 O flip ATOM 401 NE2 GLN A 609 -3.790 2.985 -10.456 1.00 0.00 N flip ATOM 0 H GLN A 609 -2.503 3.964 -4.677 1.00 0.00 H new ATOM 0 HA GLN A 609 -4.958 4.738 -5.743 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.779 4.612 -6.945 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.841 2.862 -6.869 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -4.969 2.913 -8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -4.818 4.654 -8.321 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -4.736 2.604 -10.465 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -3.193 2.888 -11.277 1.00 0.00 H new ATOM 410 N ALA A 610 -4.711 1.535 -5.056 1.00 0.00 N ATOM 411 CA ALA A 610 -5.469 0.305 -4.884 1.00 0.00 C ATOM 412 C ALA A 610 -6.699 0.545 -4.014 1.00 0.00 C ATOM 413 O ALA A 610 -7.771 0.003 -4.280 1.00 0.00 O ATOM 414 CB ALA A 610 -4.590 -0.782 -4.284 1.00 0.00 C ATOM 0 H ALA A 610 -3.746 1.480 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.808 -0.029 -5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -5.173 -1.695 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.747 -0.975 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.220 -0.455 -3.312 1.00 0.00 H new ATOM 420 N ILE A 611 -6.545 1.365 -2.978 1.00 0.00 N ATOM 421 CA ILE A 611 -7.659 1.678 -2.090 1.00 0.00 C ATOM 422 C ILE A 611 -8.522 2.796 -2.690 1.00 0.00 C ATOM 423 O ILE A 611 -9.747 2.767 -2.576 1.00 0.00 O ATOM 424 CB ILE A 611 -7.173 2.103 -0.648 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.491 0.941 0.111 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.320 2.673 0.190 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.449 1.403 1.109 1.00 0.00 C ATOM 0 H ILE A 611 -5.666 1.822 -2.734 1.00 0.00 H new ATOM 0 HA ILE A 611 -8.250 0.768 -1.989 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.429 2.885 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -7.252 0.362 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -6.021 0.272 -0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.947 2.954 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.731 3.552 -0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -9.100 1.920 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -5.011 0.537 1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.667 1.957 0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.918 2.048 1.852 1.00 0.00 H new ATOM 439 N PHE A 612 -7.895 3.742 -3.378 1.00 0.00 N ATOM 440 CA PHE A 612 -8.596 4.924 -3.854 1.00 0.00 C ATOM 441 C PHE A 612 -7.872 5.510 -5.063 1.00 0.00 C ATOM 442 O PHE A 612 -6.845 6.175 -4.919 1.00 0.00 O ATOM 443 CB PHE A 612 -8.677 5.961 -2.731 1.00 0.00 C ATOM 444 CG PHE A 612 -9.920 6.804 -2.776 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.170 6.209 -2.795 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.841 8.185 -2.789 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.318 6.976 -2.828 1.00 0.00 C ATOM 448 CE2 PHE A 612 -10.987 8.958 -2.819 1.00 0.00 C ATOM 449 CZ PHE A 612 -12.227 8.352 -2.839 1.00 0.00 C ATOM 0 H PHE A 612 -6.904 3.712 -3.618 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.606 4.646 -4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -8.631 5.448 -1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -7.805 6.612 -2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.248 5.132 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -8.873 8.665 -2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.287 6.498 -2.845 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -10.912 10.035 -2.827 1.00 0.00 H new ATOM 0 HZ PHE A 612 -13.123 8.954 -2.863 1.00 0.00 H new ATOM 459 N PRO A 613 -8.387 5.262 -6.276 1.00 0.00 N ATOM 460 CA PRO A 613 -7.715 5.685 -7.509 1.00 0.00 C ATOM 461 C PRO A 613 -7.957 7.156 -7.846 1.00 0.00 C ATOM 462 O PRO A 613 -7.094 7.814 -8.426 1.00 0.00 O ATOM 463 CB PRO A 613 -8.339 4.776 -8.574 1.00 0.00 C ATOM 464 CG PRO A 613 -9.705 4.439 -8.053 1.00 0.00 C ATOM 465 CD PRO A 613 -9.655 4.539 -6.543 1.00 0.00 C ATOM 0 HA PRO A 613 -6.631 5.599 -7.430 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -8.399 5.282 -9.537 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -7.742 3.877 -8.723 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.449 5.125 -8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -9.996 3.435 -8.361 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.515 5.081 -6.150 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.659 3.554 -6.077 1.00 0.00 H new ATOM 473 N THR A 614 -9.129 7.663 -7.482 1.00 0.00 N ATOM 474 CA THR A 614 -9.512 9.034 -7.804 1.00 0.00 C ATOM 475 C THR A 614 -8.913 10.042 -6.820 1.00 0.00 C ATOM 476 O THR A 614 -9.301 10.080 -5.650 1.00 0.00 O ATOM 477 CB THR A 614 -11.046 9.179 -7.807 1.00 0.00 C ATOM 478 OG1 THR A 614 -11.584 8.612 -6.604 1.00 0.00 O ATOM 479 CG2 THR A 614 -11.657 8.485 -9.016 1.00 0.00 C ATOM 0 H THR A 614 -9.835 7.143 -6.961 1.00 0.00 H new ATOM 0 HA THR A 614 -9.118 9.249 -8.797 1.00 0.00 H new ATOM 0 HB THR A 614 -11.292 10.240 -7.859 1.00 0.00 H new ATOM 0 HG1 THR A 614 -11.023 8.869 -5.842 1.00 0.00 H new ATOM 0 HG21 THR A 614 -12.740 8.602 -8.994 1.00 0.00 H new ATOM 0 HG22 THR A 614 -11.262 8.930 -9.929 1.00 0.00 H new ATOM 0 HG23 THR A 614 -11.406 7.424 -8.992 1.00 0.00 H new ATOM 487 N PRO A 615 -7.955 10.869 -7.277 1.00 0.00 N ATOM 488 CA PRO A 615 -7.351 11.924 -6.455 1.00 0.00 C ATOM 489 C PRO A 615 -8.255 13.152 -6.362 1.00 0.00 C ATOM 490 O PRO A 615 -8.028 14.162 -7.035 1.00 0.00 O ATOM 491 CB PRO A 615 -6.050 12.273 -7.203 1.00 0.00 C ATOM 492 CG PRO A 615 -5.950 11.277 -8.329 1.00 0.00 C ATOM 493 CD PRO A 615 -7.363 10.852 -8.621 1.00 0.00 C ATOM 0 HA PRO A 615 -7.185 11.599 -5.428 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -6.079 13.294 -7.584 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -5.187 12.204 -6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -5.486 11.725 -9.208 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -5.335 10.423 -8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -7.867 11.540 -9.300 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -7.408 9.863 -9.077 1.00 0.00 H new ATOM 501 N ASP A 616 -9.279 13.056 -5.528 1.00 0.00 N ATOM 502 CA ASP A 616 -10.237 14.146 -5.349 1.00 0.00 C ATOM 503 C ASP A 616 -9.578 15.298 -4.596 1.00 0.00 C ATOM 504 O ASP A 616 -8.973 15.089 -3.546 1.00 0.00 O ATOM 505 CB ASP A 616 -11.471 13.652 -4.574 1.00 0.00 C ATOM 506 CG ASP A 616 -12.538 14.720 -4.432 1.00 0.00 C ATOM 507 OD1 ASP A 616 -12.447 15.548 -3.498 1.00 0.00 O ATOM 508 OD2 ASP A 616 -13.476 14.737 -5.255 1.00 0.00 O ATOM 0 H ASP A 616 -9.472 12.231 -4.960 1.00 0.00 H new ATOM 0 HA ASP A 616 -10.557 14.496 -6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -11.894 12.787 -5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -11.163 13.318 -3.583 1.00 0.00 H new ATOM 513 N PRO A 617 -9.685 16.533 -5.137 1.00 0.00 N ATOM 514 CA PRO A 617 -9.025 17.726 -4.578 1.00 0.00 C ATOM 515 C PRO A 617 -9.354 17.982 -3.107 1.00 0.00 C ATOM 516 O PRO A 617 -8.564 18.597 -2.390 1.00 0.00 O ATOM 517 CB PRO A 617 -9.548 18.887 -5.447 1.00 0.00 C ATOM 518 CG PRO A 617 -10.714 18.334 -6.192 1.00 0.00 C ATOM 519 CD PRO A 617 -10.441 16.867 -6.359 1.00 0.00 C ATOM 0 HA PRO A 617 -7.942 17.606 -4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -9.843 19.736 -4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -8.778 19.242 -6.132 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -11.641 18.498 -5.643 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -10.826 18.823 -7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -11.363 16.290 -6.434 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -9.863 16.663 -7.260 1.00 0.00 H new ATOM 527 N ALA A 618 -10.514 17.522 -2.661 1.00 0.00 N ATOM 528 CA ALA A 618 -10.919 17.709 -1.275 1.00 0.00 C ATOM 529 C ALA A 618 -10.503 16.511 -0.434 1.00 0.00 C ATOM 530 O ALA A 618 -9.947 16.664 0.656 1.00 0.00 O ATOM 531 CB ALA A 618 -12.419 17.928 -1.184 1.00 0.00 C ATOM 0 H ALA A 618 -11.189 17.018 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 618 -10.418 18.595 -0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -12.704 18.066 -0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -12.692 18.815 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -12.939 17.060 -1.590 1.00 0.00 H new ATOM 537 N ALA A 619 -10.788 15.319 -0.949 1.00 0.00 N ATOM 538 CA ALA A 619 -10.419 14.069 -0.289 1.00 0.00 C ATOM 539 C ALA A 619 -8.914 13.980 -0.047 1.00 0.00 C ATOM 540 O ALA A 619 -8.468 13.340 0.901 1.00 0.00 O ATOM 541 CB ALA A 619 -10.893 12.885 -1.118 1.00 0.00 C ATOM 0 H ALA A 619 -11.280 15.191 -1.833 1.00 0.00 H new ATOM 0 HA ALA A 619 -10.909 14.047 0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -10.614 11.957 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -11.977 12.927 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -10.428 12.921 -2.103 1.00 0.00 H new ATOM 547 N LEU A 620 -8.140 14.633 -0.905 1.00 0.00 N ATOM 548 CA LEU A 620 -6.687 14.646 -0.780 1.00 0.00 C ATOM 549 C LEU A 620 -6.264 15.250 0.561 1.00 0.00 C ATOM 550 O LEU A 620 -5.262 14.847 1.152 1.00 0.00 O ATOM 551 CB LEU A 620 -6.070 15.449 -1.930 1.00 0.00 C ATOM 552 CG LEU A 620 -5.026 14.709 -2.775 1.00 0.00 C ATOM 553 CD1 LEU A 620 -3.851 14.261 -1.919 1.00 0.00 C ATOM 554 CD2 LEU A 620 -5.656 13.519 -3.482 1.00 0.00 C ATOM 0 H LEU A 620 -8.497 15.164 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 620 -6.328 13.618 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -6.873 15.782 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -5.606 16.344 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 620 -4.651 15.400 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -3.125 13.739 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -3.379 15.132 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.206 13.591 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -4.900 13.007 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -6.064 12.830 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -6.457 13.866 -4.135 1.00 0.00 H new ATOM 566 N LYS A 621 -7.045 16.212 1.035 1.00 0.00 N ATOM 567 CA LYS A 621 -6.758 16.898 2.294 1.00 0.00 C ATOM 568 C LYS A 621 -7.627 16.354 3.428 1.00 0.00 C ATOM 569 O LYS A 621 -7.786 16.991 4.469 1.00 0.00 O ATOM 570 CB LYS A 621 -6.985 18.405 2.140 1.00 0.00 C ATOM 571 CG LYS A 621 -6.042 19.059 1.141 1.00 0.00 C ATOM 572 CD LYS A 621 -6.338 20.541 0.969 1.00 0.00 C ATOM 573 CE LYS A 621 -6.174 21.306 2.272 1.00 0.00 C ATOM 574 NZ LYS A 621 -6.438 22.759 2.100 1.00 0.00 N ATOM 0 H LYS A 621 -7.889 16.539 0.564 1.00 0.00 H new ATOM 0 HA LYS A 621 -5.713 16.716 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -8.014 18.580 1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -6.863 18.884 3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -5.013 18.931 1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -6.129 18.557 0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -5.671 20.960 0.216 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -7.355 20.668 0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -6.855 20.899 3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -5.162 21.163 2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -6.315 23.244 3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -5.772 23.153 1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -7.412 22.897 1.762 1.00 0.00 H new ATOM 588 N ASP A 622 -8.180 15.172 3.220 1.00 0.00 N ATOM 589 CA ASP A 622 -9.126 14.577 4.159 1.00 0.00 C ATOM 590 C ASP A 622 -8.418 13.635 5.133 1.00 0.00 C ATOM 591 O ASP A 622 -7.638 12.770 4.731 1.00 0.00 O ATOM 592 CB ASP A 622 -10.199 13.825 3.373 1.00 0.00 C ATOM 593 CG ASP A 622 -11.090 12.971 4.238 1.00 0.00 C ATOM 594 OD1 ASP A 622 -11.926 13.528 4.975 1.00 0.00 O ATOM 595 OD2 ASP A 622 -10.979 11.737 4.158 1.00 0.00 O ATOM 0 H ASP A 622 -7.990 14.596 2.400 1.00 0.00 H new ATOM 0 HA ASP A 622 -9.588 15.369 4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -10.813 14.545 2.832 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -9.716 13.193 2.627 1.00 0.00 H new ATOM 600 N ARG A 623 -8.697 13.831 6.424 1.00 0.00 N ATOM 601 CA ARG A 623 -8.089 13.044 7.499 1.00 0.00 C ATOM 602 C ARG A 623 -8.400 11.551 7.367 1.00 0.00 C ATOM 603 O ARG A 623 -7.552 10.711 7.662 1.00 0.00 O ATOM 604 CB ARG A 623 -8.549 13.561 8.867 1.00 0.00 C ATOM 605 CG ARG A 623 -7.950 14.908 9.253 1.00 0.00 C ATOM 606 CD ARG A 623 -6.451 14.804 9.485 1.00 0.00 C ATOM 607 NE ARG A 623 -5.855 16.091 9.839 1.00 0.00 N ATOM 608 CZ ARG A 623 -4.685 16.224 10.464 1.00 0.00 C ATOM 609 NH1 ARG A 623 -4.008 15.153 10.852 1.00 0.00 N ATOM 610 NH2 ARG A 623 -4.202 17.433 10.709 1.00 0.00 N ATOM 0 H ARG A 623 -9.351 14.541 6.753 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.009 13.162 7.414 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -9.636 13.645 8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -8.287 12.827 9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -8.148 15.635 8.465 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -8.435 15.278 10.157 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -6.258 14.085 10.281 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -5.972 14.419 8.585 1.00 0.00 H new ATOM 0 HE ARG A 623 -6.365 16.939 9.593 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -4.382 14.221 10.673 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -3.113 15.261 11.330 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -4.725 18.259 10.420 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -3.307 17.537 11.187 1.00 0.00 H new ATOM 624 N ARG A 624 -9.624 11.229 6.964 1.00 0.00 N ATOM 625 CA ARG A 624 -10.025 9.847 6.729 1.00 0.00 C ATOM 626 C ARG A 624 -9.113 9.180 5.693 1.00 0.00 C ATOM 627 O ARG A 624 -8.635 8.064 5.910 1.00 0.00 O ATOM 628 CB ARG A 624 -11.495 9.827 6.297 1.00 0.00 C ATOM 629 CG ARG A 624 -11.872 8.729 5.317 1.00 0.00 C ATOM 630 CD ARG A 624 -13.243 8.998 4.730 1.00 0.00 C ATOM 631 NE ARG A 624 -13.327 10.358 4.202 1.00 0.00 N ATOM 632 CZ ARG A 624 -14.463 10.992 3.923 1.00 0.00 C ATOM 633 NH1 ARG A 624 -15.634 10.388 4.100 1.00 0.00 N ATOM 634 NH2 ARG A 624 -14.427 12.240 3.479 1.00 0.00 N ATOM 0 H ARG A 624 -10.361 11.913 6.792 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.922 9.270 7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -12.116 9.725 7.187 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.737 10.790 5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.131 8.674 4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -11.868 7.763 5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.449 8.282 3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -14.005 8.853 5.495 1.00 0.00 H new ATOM 0 HE ARG A 624 -12.453 10.857 4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -15.666 9.431 4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -16.500 10.881 3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -13.531 12.711 3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -15.295 12.730 3.264 1.00 0.00 H new ATOM 648 N MET A 625 -8.854 9.869 4.582 1.00 0.00 N ATOM 649 CA MET A 625 -7.912 9.367 3.581 1.00 0.00 C ATOM 650 C MET A 625 -6.519 9.189 4.186 1.00 0.00 C ATOM 651 O MET A 625 -5.818 8.228 3.871 1.00 0.00 O ATOM 652 CB MET A 625 -7.844 10.269 2.336 1.00 0.00 C ATOM 653 CG MET A 625 -6.669 9.924 1.419 1.00 0.00 C ATOM 654 SD MET A 625 -6.522 11.015 -0.009 1.00 0.00 S ATOM 655 CE MET A 625 -7.999 10.576 -0.919 1.00 0.00 C ATOM 0 H MET A 625 -9.278 10.768 4.353 1.00 0.00 H new ATOM 0 HA MET A 625 -8.284 8.395 3.257 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.775 10.179 1.776 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.761 11.309 2.650 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.745 9.967 1.995 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.780 8.897 1.071 1.00 0.00 H new ATOM 0 HE1 MET A 625 -8.008 11.102 -1.874 1.00 0.00 H new ATOM 0 HE2 MET A 625 -8.011 9.501 -1.097 1.00 0.00 H new ATOM 0 HE3 MET A 625 -8.879 10.858 -0.342 1.00 0.00 H new ATOM 665 N GLU A 626 -6.133 10.110 5.066 1.00 0.00 N ATOM 666 CA GLU A 626 -4.810 10.093 5.680 1.00 0.00 C ATOM 667 C GLU A 626 -4.540 8.747 6.354 1.00 0.00 C ATOM 668 O GLU A 626 -3.437 8.212 6.268 1.00 0.00 O ATOM 669 CB GLU A 626 -4.696 11.234 6.694 1.00 0.00 C ATOM 670 CG GLU A 626 -3.344 11.326 7.378 1.00 0.00 C ATOM 671 CD GLU A 626 -2.205 11.539 6.404 1.00 0.00 C ATOM 672 OE1 GLU A 626 -2.090 12.653 5.845 1.00 0.00 O ATOM 673 OE2 GLU A 626 -1.408 10.604 6.205 1.00 0.00 O ATOM 0 H GLU A 626 -6.724 10.883 5.371 1.00 0.00 H new ATOM 0 HA GLU A 626 -4.061 10.234 4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -4.899 12.177 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -5.467 11.108 7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -3.360 12.147 8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -3.166 10.412 7.944 1.00 0.00 H new ATOM 680 N ASN A 627 -5.563 8.193 7.001 1.00 0.00 N ATOM 681 CA ASN A 627 -5.430 6.904 7.681 1.00 0.00 C ATOM 682 C ASN A 627 -5.016 5.806 6.710 1.00 0.00 C ATOM 683 O ASN A 627 -4.136 4.998 7.009 1.00 0.00 O ATOM 684 CB ASN A 627 -6.736 6.500 8.369 1.00 0.00 C ATOM 685 CG ASN A 627 -6.971 7.219 9.685 1.00 0.00 C ATOM 686 OD1 ASN A 627 -6.489 8.446 9.800 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -7.581 6.667 10.600 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.490 8.613 7.069 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.653 7.024 8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.570 6.704 7.698 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.727 5.425 8.547 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -7.939 5.720 10.476 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -7.729 7.157 11.483 1.00 0.00 H new ATOM 694 N LEU A 628 -5.649 5.783 5.541 1.00 0.00 N ATOM 695 CA LEU A 628 -5.344 4.766 4.536 1.00 0.00 C ATOM 696 C LEU A 628 -3.931 4.987 3.996 1.00 0.00 C ATOM 697 O LEU A 628 -3.190 4.033 3.760 1.00 0.00 O ATOM 698 CB LEU A 628 -6.416 4.738 3.408 1.00 0.00 C ATOM 699 CG LEU A 628 -6.236 5.699 2.220 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.303 5.108 1.173 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.587 6.012 1.596 1.00 0.00 C ATOM 0 H LEU A 628 -6.370 6.450 5.266 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.376 3.782 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.460 3.723 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.385 4.945 3.862 1.00 0.00 H new ATOM 0 HG LEU A 628 -5.788 6.620 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -5.194 5.809 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.327 4.920 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.719 4.171 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.451 6.693 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -8.048 5.089 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -8.232 6.479 2.340 1.00 0.00 H new ATOM 713 N VAL A 629 -3.559 6.255 3.823 1.00 0.00 N ATOM 714 CA VAL A 629 -2.228 6.605 3.335 1.00 0.00 C ATOM 715 C VAL A 629 -1.173 6.166 4.347 1.00 0.00 C ATOM 716 O VAL A 629 -0.116 5.646 3.979 1.00 0.00 O ATOM 717 CB VAL A 629 -2.096 8.125 3.080 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.705 8.475 2.566 1.00 0.00 C ATOM 719 CG2 VAL A 629 -3.156 8.595 2.096 1.00 0.00 C ATOM 0 H VAL A 629 -4.161 7.056 4.014 1.00 0.00 H new ATOM 0 HA VAL A 629 -2.074 6.087 2.388 1.00 0.00 H new ATOM 0 HB VAL A 629 -2.247 8.639 4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.640 9.550 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.041 8.179 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.519 7.947 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -3.048 9.667 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -3.035 8.066 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -4.146 8.390 2.502 1.00 0.00 H new ATOM 729 N ALA A 630 -1.482 6.374 5.623 1.00 0.00 N ATOM 730 CA ALA A 630 -0.622 5.949 6.718 1.00 0.00 C ATOM 731 C ALA A 630 -0.391 4.438 6.684 1.00 0.00 C ATOM 732 O ALA A 630 0.718 3.972 6.950 1.00 0.00 O ATOM 733 CB ALA A 630 -1.210 6.386 8.054 1.00 0.00 C ATOM 0 H ALA A 630 -2.336 6.842 5.925 1.00 0.00 H new ATOM 0 HA ALA A 630 0.348 6.430 6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.556 6.061 8.863 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.300 7.472 8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.195 5.938 8.182 1.00 0.00 H new ATOM 739 N TYR A 631 -1.431 3.675 6.351 1.00 0.00 N ATOM 740 CA TYR A 631 -1.299 2.222 6.249 1.00 0.00 C ATOM 741 C TYR A 631 -0.339 1.862 5.117 1.00 0.00 C ATOM 742 O TYR A 631 0.457 0.932 5.240 1.00 0.00 O ATOM 743 CB TYR A 631 -2.651 1.518 6.040 1.00 0.00 C ATOM 744 CG TYR A 631 -2.526 0.010 5.982 1.00 0.00 C ATOM 745 CD1 TYR A 631 -1.970 -0.699 7.041 1.00 0.00 C ATOM 746 CD2 TYR A 631 -2.951 -0.704 4.869 1.00 0.00 C ATOM 747 CE1 TYR A 631 -1.839 -2.074 6.991 1.00 0.00 C ATOM 748 CE2 TYR A 631 -2.824 -2.077 4.818 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.268 -2.757 5.876 1.00 0.00 C ATOM 750 OH TYR A 631 -2.139 -4.129 5.815 1.00 0.00 O ATOM 0 H TYR A 631 -2.364 4.033 6.149 1.00 0.00 H new ATOM 0 HA TYR A 631 -0.898 1.869 7.199 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.326 1.791 6.851 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.103 1.876 5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -1.635 -0.166 7.918 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.387 -0.178 4.033 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -1.403 -2.609 7.822 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.162 -2.618 3.946 1.00 0.00 H new ATOM 0 HH TYR A 631 -2.194 -4.503 6.719 1.00 0.00 H new ATOM 760 N ALA A 632 -0.408 2.614 4.019 1.00 0.00 N ATOM 761 CA ALA A 632 0.459 2.371 2.870 1.00 0.00 C ATOM 762 C ALA A 632 1.919 2.611 3.254 1.00 0.00 C ATOM 763 O ALA A 632 2.803 1.833 2.897 1.00 0.00 O ATOM 764 CB ALA A 632 0.057 3.256 1.697 1.00 0.00 C ATOM 0 H ALA A 632 -1.054 3.395 3.902 1.00 0.00 H new ATOM 0 HA ALA A 632 0.347 1.332 2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.715 3.060 0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.973 3.039 1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.141 4.304 1.986 1.00 0.00 H new ATOM 770 N LYS A 633 2.155 3.696 3.990 1.00 0.00 N ATOM 771 CA LYS A 633 3.448 3.987 4.581 1.00 0.00 C ATOM 772 C LYS A 633 3.929 2.840 5.457 1.00 0.00 C ATOM 773 O LYS A 633 5.061 2.370 5.340 1.00 0.00 O ATOM 774 CB LYS A 633 3.287 5.217 5.468 1.00 0.00 C ATOM 775 CG LYS A 633 2.804 6.467 4.746 1.00 0.00 C ATOM 776 CD LYS A 633 3.685 6.812 3.560 1.00 0.00 C ATOM 777 CE LYS A 633 3.218 8.073 2.846 1.00 0.00 C ATOM 778 NZ LYS A 633 2.269 7.777 1.743 1.00 0.00 N ATOM 0 H LYS A 633 1.445 4.400 4.191 1.00 0.00 H new ATOM 0 HA LYS A 633 4.173 4.145 3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.584 4.982 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.245 5.435 5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 633 1.780 6.316 4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 633 2.788 7.305 5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.712 6.948 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.689 5.979 2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 633 2.740 8.739 3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 633 4.083 8.603 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 1.657 8.602 1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 2.801 7.565 0.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 1.684 6.956 1.999 1.00 0.00 H new ATOM 792 N LYS A 634 3.051 2.418 6.349 1.00 0.00 N ATOM 793 CA LYS A 634 3.330 1.314 7.262 1.00 0.00 C ATOM 794 C LYS A 634 3.741 0.066 6.492 1.00 0.00 C ATOM 795 O LYS A 634 4.677 -0.633 6.883 1.00 0.00 O ATOM 796 CB LYS A 634 2.097 1.021 8.126 1.00 0.00 C ATOM 797 CG LYS A 634 2.283 -0.123 9.115 1.00 0.00 C ATOM 798 CD LYS A 634 3.464 0.111 10.049 1.00 0.00 C ATOM 799 CE LYS A 634 3.338 1.422 10.809 1.00 0.00 C ATOM 800 NZ LYS A 634 4.440 1.608 11.788 1.00 0.00 N ATOM 0 H LYS A 634 2.124 2.828 6.464 1.00 0.00 H new ATOM 0 HA LYS A 634 4.157 1.604 7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 634 1.831 1.923 8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 634 1.257 0.788 7.472 1.00 0.00 H new ATOM 0 HG2 LYS A 634 1.374 -0.243 9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 634 2.433 -1.054 8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 634 3.534 -0.714 10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 634 4.388 0.114 9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 634 3.338 2.252 10.102 1.00 0.00 H new ATOM 0 HE3 LYS A 634 2.382 1.448 11.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 4.315 2.514 12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 4.426 0.831 12.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 5.352 1.610 11.288 1.00 0.00 H new ATOM 814 N VAL A 635 3.040 -0.205 5.397 1.00 0.00 N ATOM 815 CA VAL A 635 3.390 -1.314 4.521 1.00 0.00 C ATOM 816 C VAL A 635 4.838 -1.201 4.054 1.00 0.00 C ATOM 817 O VAL A 635 5.594 -2.161 4.154 1.00 0.00 O ATOM 818 CB VAL A 635 2.444 -1.406 3.301 1.00 0.00 C ATOM 819 CG1 VAL A 635 3.050 -2.265 2.203 1.00 0.00 C ATOM 820 CG2 VAL A 635 1.102 -1.981 3.720 1.00 0.00 C ATOM 0 H VAL A 635 2.225 0.329 5.095 1.00 0.00 H new ATOM 0 HA VAL A 635 3.276 -2.229 5.102 1.00 0.00 H new ATOM 0 HB VAL A 635 2.299 -0.399 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 635 2.364 -2.312 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.995 -1.829 1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 635 3.227 -3.271 2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.445 -2.041 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 635 1.247 -2.979 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.650 -1.337 4.474 1.00 0.00 H new ATOM 830 N GLU A 636 5.225 -0.021 3.581 1.00 0.00 N ATOM 831 CA GLU A 636 6.590 0.221 3.137 1.00 0.00 C ATOM 832 C GLU A 636 7.583 -0.101 4.249 1.00 0.00 C ATOM 833 O GLU A 636 8.592 -0.763 4.015 1.00 0.00 O ATOM 834 CB GLU A 636 6.730 1.685 2.686 1.00 0.00 C ATOM 835 CG GLU A 636 8.118 2.272 2.894 1.00 0.00 C ATOM 836 CD GLU A 636 8.195 3.747 2.551 1.00 0.00 C ATOM 837 OE1 GLU A 636 7.428 4.542 3.141 1.00 0.00 O ATOM 838 OE2 GLU A 636 9.027 4.125 1.701 1.00 0.00 O ATOM 0 H GLU A 636 4.607 0.786 3.496 1.00 0.00 H new ATOM 0 HA GLU A 636 6.813 -0.433 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 636 6.473 1.754 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 636 6.006 2.292 3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 636 8.414 2.130 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 636 8.834 1.724 2.281 1.00 0.00 H new ATOM 845 N GLY A 637 7.280 0.360 5.457 1.00 0.00 N ATOM 846 CA GLY A 637 8.146 0.092 6.593 1.00 0.00 C ATOM 847 C GLY A 637 8.248 -1.387 6.910 1.00 0.00 C ATOM 848 O GLY A 637 9.348 -1.915 7.068 1.00 0.00 O ATOM 0 H GLY A 637 6.451 0.914 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 637 9.141 0.486 6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.768 0.622 7.467 1.00 0.00 H new ATOM 852 N ASP A 638 7.103 -2.055 6.998 1.00 0.00 N ATOM 853 CA ASP A 638 7.064 -3.480 7.319 1.00 0.00 C ATOM 854 C ASP A 638 7.742 -4.303 6.230 1.00 0.00 C ATOM 855 O ASP A 638 8.557 -5.184 6.517 1.00 0.00 O ATOM 856 CB ASP A 638 5.619 -3.950 7.504 1.00 0.00 C ATOM 857 CG ASP A 638 5.537 -5.385 7.983 1.00 0.00 C ATOM 858 OD1 ASP A 638 5.659 -6.307 7.151 1.00 0.00 O ATOM 859 OD2 ASP A 638 5.354 -5.594 9.203 1.00 0.00 O ATOM 0 H ASP A 638 6.186 -1.632 6.851 1.00 0.00 H new ATOM 0 HA ASP A 638 7.606 -3.627 8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 638 5.117 -3.301 8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 638 5.084 -3.854 6.559 1.00 0.00 H new ATOM 864 N MET A 639 7.414 -3.996 4.980 1.00 0.00 N ATOM 865 CA MET A 639 7.999 -4.696 3.837 1.00 0.00 C ATOM 866 C MET A 639 9.496 -4.467 3.804 1.00 0.00 C ATOM 867 O MET A 639 10.241 -5.353 3.431 1.00 0.00 O ATOM 868 CB MET A 639 7.387 -4.259 2.489 1.00 0.00 C ATOM 869 CG MET A 639 5.879 -4.469 2.375 1.00 0.00 C ATOM 870 SD MET A 639 5.399 -6.193 2.569 1.00 0.00 S ATOM 871 CE MET A 639 3.663 -6.100 2.151 1.00 0.00 C ATOM 0 H MET A 639 6.746 -3.267 4.730 1.00 0.00 H new ATOM 0 HA MET A 639 7.777 -5.755 3.969 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.606 -3.203 2.331 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.878 -4.810 1.687 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.375 -3.869 3.132 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.539 -4.109 1.404 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.254 -7.107 2.067 1.00 0.00 H new ATOM 0 HE2 MET A 639 3.130 -5.556 2.930 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.545 -5.580 1.200 1.00 0.00 H new ATOM 881 N TYR A 640 9.915 -3.266 4.187 1.00 0.00 N ATOM 882 CA TYR A 640 11.325 -2.865 4.117 1.00 0.00 C ATOM 883 C TYR A 640 12.244 -3.912 4.767 1.00 0.00 C ATOM 884 O TYR A 640 13.332 -4.177 4.255 1.00 0.00 O ATOM 885 CB TYR A 640 11.539 -1.482 4.766 1.00 0.00 C ATOM 886 CG TYR A 640 12.854 -0.817 4.407 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.351 -0.875 3.110 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.596 -0.125 5.361 1.00 0.00 C ATOM 889 CE1 TYR A 640 14.544 -0.268 2.778 1.00 0.00 C ATOM 890 CE2 TYR A 640 14.788 0.484 5.030 1.00 0.00 C ATOM 891 CZ TYR A 640 15.258 0.410 3.740 1.00 0.00 C ATOM 892 OH TYR A 640 16.450 1.012 3.407 1.00 0.00 O ATOM 0 H TYR A 640 9.295 -2.543 4.553 1.00 0.00 H new ATOM 0 HA TYR A 640 11.590 -2.797 3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.721 -0.825 4.470 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.485 -1.590 5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 640 12.794 -1.404 2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.232 -0.064 6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 640 14.917 -0.324 1.766 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.351 1.017 5.782 1.00 0.00 H new ATOM 0 HH TYR A 640 16.828 1.449 4.198 1.00 0.00 H new ATOM 902 N GLU A 641 11.809 -4.520 5.870 1.00 0.00 N ATOM 903 CA GLU A 641 12.606 -5.582 6.503 1.00 0.00 C ATOM 904 C GLU A 641 12.680 -6.814 5.597 1.00 0.00 C ATOM 905 O GLU A 641 13.759 -7.345 5.331 1.00 0.00 O ATOM 906 CB GLU A 641 12.055 -5.973 7.881 1.00 0.00 C ATOM 907 CG GLU A 641 12.620 -5.116 9.035 1.00 0.00 C ATOM 908 CD GLU A 641 12.161 -3.677 8.975 1.00 0.00 C ATOM 909 OE1 GLU A 641 11.031 -3.389 9.424 1.00 0.00 O ATOM 910 OE2 GLU A 641 12.934 -2.823 8.491 1.00 0.00 O ATOM 0 H GLU A 641 10.929 -4.305 6.339 1.00 0.00 H new ATOM 0 HA GLU A 641 13.610 -5.184 6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 641 10.969 -5.881 7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.284 -7.021 8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.315 -5.550 9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 641 13.709 -5.147 9.005 1.00 0.00 H new ATOM 917 N SER A 642 11.518 -7.242 5.126 1.00 0.00 N ATOM 918 CA SER A 642 11.390 -8.402 4.243 1.00 0.00 C ATOM 919 C SER A 642 12.080 -8.151 2.894 1.00 0.00 C ATOM 920 O SER A 642 12.647 -9.060 2.299 1.00 0.00 O ATOM 921 CB SER A 642 9.907 -8.718 4.041 1.00 0.00 C ATOM 922 OG SER A 642 9.699 -10.057 3.620 1.00 0.00 O ATOM 0 H SER A 642 10.628 -6.794 5.345 1.00 0.00 H new ATOM 0 HA SER A 642 11.883 -9.256 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.369 -8.544 4.973 1.00 0.00 H new ATOM 0 HB3 SER A 642 9.489 -8.036 3.300 1.00 0.00 H new ATOM 0 HG SER A 642 10.297 -10.261 2.871 1.00 0.00 H new ATOM 928 N ALA A 643 11.970 -6.914 2.417 1.00 0.00 N ATOM 929 CA ALA A 643 12.548 -6.425 1.152 1.00 0.00 C ATOM 930 C ALA A 643 14.055 -6.664 0.982 1.00 0.00 C ATOM 931 O ALA A 643 14.703 -5.969 0.201 1.00 0.00 O ATOM 932 CB ALA A 643 12.268 -4.941 1.014 1.00 0.00 C ATOM 0 H ALA A 643 11.456 -6.189 2.916 1.00 0.00 H new ATOM 0 HA ALA A 643 12.065 -7.011 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.694 -4.576 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 643 11.191 -4.773 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.717 -4.407 1.851 1.00 0.00 H new ATOM 938 N ASN A 644 14.618 -7.609 1.708 1.00 0.00 N ATOM 939 CA ASN A 644 16.052 -7.846 1.659 1.00 0.00 C ATOM 940 C ASN A 644 16.402 -8.674 0.410 1.00 0.00 C ATOM 941 O ASN A 644 17.483 -9.247 0.309 1.00 0.00 O ATOM 942 CB ASN A 644 16.541 -8.508 2.971 1.00 0.00 C ATOM 943 CG ASN A 644 18.067 -8.374 3.188 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.499 -7.447 3.876 1.00 0.00 O ATOM 945 ND2 ASN A 644 18.904 -9.242 2.593 1.00 0.00 N ATOM 0 H ASN A 644 14.107 -8.226 2.339 1.00 0.00 H new ATOM 0 HA ASN A 644 16.577 -6.894 1.577 1.00 0.00 H new ATOM 0 HB2 ASN A 644 16.019 -8.056 3.815 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.273 -9.565 2.959 1.00 0.00 H new ATOM 0 HD21 ASN A 644 19.912 -9.139 2.708 1.00 0.00 H new ATOM 0 HD22 ASN A 644 18.531 -10.004 2.027 1.00 0.00 H new ATOM 952 N SER A 645 15.477 -8.715 -0.557 1.00 0.00 N ATOM 953 CA SER A 645 15.740 -9.322 -1.847 1.00 0.00 C ATOM 954 C SER A 645 14.751 -8.775 -2.879 1.00 0.00 C ATOM 955 O SER A 645 13.569 -8.602 -2.569 1.00 0.00 O ATOM 956 CB SER A 645 15.666 -10.850 -1.757 1.00 0.00 C ATOM 957 OG SER A 645 14.441 -11.277 -1.190 1.00 0.00 O ATOM 0 H SER A 645 14.538 -8.330 -0.459 1.00 0.00 H new ATOM 0 HA SER A 645 16.751 -9.067 -2.164 1.00 0.00 H new ATOM 0 HB2 SER A 645 15.777 -11.280 -2.752 1.00 0.00 H new ATOM 0 HB3 SER A 645 16.496 -11.221 -1.155 1.00 0.00 H new ATOM 0 HG SER A 645 14.424 -12.256 -1.148 1.00 0.00 H new ATOM 963 N ARG A 646 15.237 -8.474 -4.081 1.00 0.00 N ATOM 964 CA ARG A 646 14.447 -7.730 -5.070 1.00 0.00 C ATOM 965 C ARG A 646 13.094 -8.380 -5.351 1.00 0.00 C ATOM 966 O ARG A 646 12.057 -7.717 -5.276 1.00 0.00 O ATOM 967 CB ARG A 646 15.232 -7.588 -6.377 1.00 0.00 C ATOM 968 CG ARG A 646 16.443 -6.674 -6.275 1.00 0.00 C ATOM 969 CD ARG A 646 16.041 -5.223 -6.064 1.00 0.00 C ATOM 970 NE ARG A 646 15.229 -4.716 -7.170 1.00 0.00 N ATOM 971 CZ ARG A 646 15.254 -3.458 -7.604 1.00 0.00 C ATOM 972 NH1 ARG A 646 16.065 -2.565 -7.046 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.468 -3.095 -8.608 1.00 0.00 N ATOM 0 H ARG A 646 16.172 -8.732 -4.397 1.00 0.00 H new ATOM 0 HA ARG A 646 14.254 -6.746 -4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.561 -8.576 -6.700 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.565 -7.206 -7.150 1.00 0.00 H new ATOM 0 HG2 ARG A 646 17.075 -7.000 -5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 646 17.039 -6.757 -7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.482 -5.133 -5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 646 16.936 -4.610 -5.960 1.00 0.00 H new ATOM 0 HE ARG A 646 14.602 -5.370 -7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.676 -2.841 -6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 646 16.076 -1.604 -7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 646 13.848 -3.778 -9.043 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.483 -2.132 -8.945 1.00 0.00 H new ATOM 987 N ASP A 647 13.108 -9.677 -5.639 1.00 0.00 N ATOM 988 CA ASP A 647 11.884 -10.394 -5.991 1.00 0.00 C ATOM 989 C ASP A 647 10.889 -10.383 -4.837 1.00 0.00 C ATOM 990 O ASP A 647 9.686 -10.212 -5.045 1.00 0.00 O ATOM 991 CB ASP A 647 12.184 -11.838 -6.399 1.00 0.00 C ATOM 992 CG ASP A 647 10.927 -12.601 -6.772 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.388 -12.369 -7.877 1.00 0.00 O ATOM 994 OD2 ASP A 647 10.467 -13.431 -5.960 1.00 0.00 O ATOM 0 H ASP A 647 13.950 -10.253 -5.636 1.00 0.00 H new ATOM 0 HA ASP A 647 11.442 -9.876 -6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 647 12.872 -11.839 -7.244 1.00 0.00 H new ATOM 0 HB3 ASP A 647 12.687 -12.349 -5.578 1.00 0.00 H new ATOM 999 N GLU A 648 11.396 -10.553 -3.621 1.00 0.00 N ATOM 1000 CA GLU A 648 10.547 -10.599 -2.439 1.00 0.00 C ATOM 1001 C GLU A 648 9.809 -9.278 -2.265 1.00 0.00 C ATOM 1002 O GLU A 648 8.598 -9.260 -2.038 1.00 0.00 O ATOM 1003 CB GLU A 648 11.379 -10.922 -1.191 1.00 0.00 C ATOM 1004 CG GLU A 648 10.542 -11.319 0.014 1.00 0.00 C ATOM 1005 CD GLU A 648 11.366 -11.985 1.095 1.00 0.00 C ATOM 1006 OE1 GLU A 648 11.968 -13.044 0.815 1.00 0.00 O ATOM 1007 OE2 GLU A 648 11.419 -11.460 2.225 1.00 0.00 O ATOM 0 H GLU A 648 12.392 -10.661 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 648 9.810 -11.391 -2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.070 -11.732 -1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 648 11.983 -10.052 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 648 10.058 -10.433 0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 648 9.750 -11.997 -0.305 1.00 0.00 H new ATOM 1014 N TYR A 649 10.542 -8.178 -2.411 1.00 0.00 N ATOM 1015 CA TYR A 649 9.974 -6.842 -2.252 1.00 0.00 C ATOM 1016 C TYR A 649 8.781 -6.635 -3.185 1.00 0.00 C ATOM 1017 O TYR A 649 7.709 -6.217 -2.745 1.00 0.00 O ATOM 1018 CB TYR A 649 11.044 -5.773 -2.515 1.00 0.00 C ATOM 1019 CG TYR A 649 10.658 -4.372 -2.074 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.744 -4.161 -1.045 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.221 -3.258 -2.685 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.404 -2.883 -0.642 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.886 -1.978 -2.286 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.976 -1.798 -1.265 1.00 0.00 C ATOM 1025 OH TYR A 649 9.641 -0.525 -0.864 1.00 0.00 O ATOM 0 H TYR A 649 11.536 -8.186 -2.640 1.00 0.00 H new ATOM 0 HA TYR A 649 9.622 -6.746 -1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.961 -6.062 -2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.267 -5.756 -3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 649 9.293 -5.010 -0.553 1.00 0.00 H new ATOM 0 HD2 TYR A 649 11.933 -3.395 -3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.693 -2.737 0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.334 -1.123 -2.771 1.00 0.00 H new ATOM 0 HH TYR A 649 9.411 -0.532 0.089 1.00 0.00 H new ATOM 1035 N TYR A 650 8.957 -6.948 -4.467 1.00 0.00 N ATOM 1036 CA TYR A 650 7.905 -6.799 -5.446 1.00 0.00 C ATOM 1037 C TYR A 650 6.738 -7.744 -5.163 1.00 0.00 C ATOM 1038 O TYR A 650 5.575 -7.362 -5.303 1.00 0.00 O ATOM 1039 CB TYR A 650 8.476 -7.053 -6.838 1.00 0.00 C ATOM 1040 CG TYR A 650 9.245 -5.888 -7.420 1.00 0.00 C ATOM 1041 CD1 TYR A 650 10.549 -5.610 -7.028 1.00 0.00 C ATOM 1042 CD2 TYR A 650 8.663 -5.072 -8.381 1.00 0.00 C ATOM 1043 CE1 TYR A 650 11.248 -4.552 -7.577 1.00 0.00 C ATOM 1044 CE2 TYR A 650 9.354 -4.013 -8.931 1.00 0.00 C ATOM 1045 CZ TYR A 650 10.644 -3.758 -8.528 1.00 0.00 C ATOM 1046 OH TYR A 650 11.334 -2.706 -9.087 1.00 0.00 O ATOM 0 H TYR A 650 9.832 -7.310 -4.846 1.00 0.00 H new ATOM 0 HA TYR A 650 7.517 -5.782 -5.389 1.00 0.00 H new ATOM 0 HB2 TYR A 650 9.133 -7.921 -6.795 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.658 -7.306 -7.512 1.00 0.00 H new ATOM 0 HD1 TYR A 650 11.024 -6.231 -6.282 1.00 0.00 H new ATOM 0 HD2 TYR A 650 7.651 -5.270 -8.703 1.00 0.00 H new ATOM 0 HE1 TYR A 650 12.261 -4.349 -7.263 1.00 0.00 H new ATOM 0 HE2 TYR A 650 8.884 -3.387 -9.675 1.00 0.00 H new ATOM 0 HH TYR A 650 10.719 -2.156 -9.617 1.00 0.00 H new ATOM 1056 N HIS A 651 7.053 -8.968 -4.741 1.00 0.00 N ATOM 1057 CA HIS A 651 6.038 -10.006 -4.566 1.00 0.00 C ATOM 1058 C HIS A 651 5.074 -9.636 -3.447 1.00 0.00 C ATOM 1059 O HIS A 651 3.863 -9.811 -3.577 1.00 0.00 O ATOM 1060 CB HIS A 651 6.698 -11.354 -4.260 1.00 0.00 C ATOM 1061 CG HIS A 651 5.728 -12.495 -4.198 1.00 0.00 C ATOM 1062 ND1 HIS A 651 5.379 -13.130 -3.025 1.00 0.00 N ATOM 1063 CD2 HIS A 651 5.028 -13.112 -5.179 1.00 0.00 C ATOM 1064 CE1 HIS A 651 4.507 -14.084 -3.289 1.00 0.00 C ATOM 1065 NE2 HIS A 651 4.277 -14.097 -4.587 1.00 0.00 N ATOM 0 H HIS A 651 8.002 -9.265 -4.514 1.00 0.00 H new ATOM 0 HA HIS A 651 5.476 -10.089 -5.497 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.446 -11.565 -5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.225 -11.284 -3.309 1.00 0.00 H new ATOM 0 HD2 HIS A 651 5.055 -12.874 -6.232 1.00 0.00 H new ATOM 0 HE1 HIS A 651 4.057 -14.744 -2.563 1.00 0.00 H new ATOM 0 HE2 HIS A 651 3.645 -14.734 -5.072 1.00 0.00 H new ATOM 1074 N LEU A 652 5.623 -9.126 -2.352 1.00 0.00 N ATOM 1075 CA LEU A 652 4.832 -8.792 -1.174 1.00 0.00 C ATOM 1076 C LEU A 652 3.809 -7.706 -1.482 1.00 0.00 C ATOM 1077 O LEU A 652 2.621 -7.850 -1.181 1.00 0.00 O ATOM 1078 CB LEU A 652 5.751 -8.315 -0.052 1.00 0.00 C ATOM 1079 CG LEU A 652 6.829 -9.305 0.379 1.00 0.00 C ATOM 1080 CD1 LEU A 652 7.793 -8.642 1.344 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.205 -10.538 1.009 1.00 0.00 C ATOM 0 H LEU A 652 6.620 -8.933 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 652 4.298 -9.690 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.236 -7.392 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.139 -8.070 0.816 1.00 0.00 H new ATOM 0 HG LEU A 652 7.383 -9.620 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.558 -9.358 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.266 -7.789 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.249 -8.301 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 652 6.991 -11.231 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 652 5.625 -10.245 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 652 5.550 -11.024 0.286 1.00 0.00 H new ATOM 1093 N LEU A 653 4.283 -6.625 -2.087 1.00 0.00 N ATOM 1094 CA LEU A 653 3.428 -5.497 -2.423 1.00 0.00 C ATOM 1095 C LEU A 653 2.376 -5.889 -3.455 1.00 0.00 C ATOM 1096 O LEU A 653 1.193 -5.590 -3.286 1.00 0.00 O ATOM 1097 CB LEU A 653 4.273 -4.330 -2.930 1.00 0.00 C ATOM 1098 CG LEU A 653 5.132 -3.659 -1.863 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.394 -3.104 -2.484 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.357 -2.545 -1.175 1.00 0.00 C ATOM 0 H LEU A 653 5.260 -6.506 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 653 2.904 -5.185 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.923 -4.689 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.612 -3.583 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 653 5.402 -4.407 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 653 7.000 -2.627 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.961 -3.915 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 653 6.132 -2.369 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.986 -2.078 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 653 4.062 -1.798 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.467 -2.959 -0.702 1.00 0.00 H new ATOM 1112 N ALA A 654 2.807 -6.570 -4.515 1.00 0.00 N ATOM 1113 CA ALA A 654 1.896 -7.012 -5.565 1.00 0.00 C ATOM 1114 C ALA A 654 0.811 -7.934 -5.012 1.00 0.00 C ATOM 1115 O ALA A 654 -0.356 -7.838 -5.404 1.00 0.00 O ATOM 1116 CB ALA A 654 2.671 -7.707 -6.671 1.00 0.00 C ATOM 0 H ALA A 654 3.782 -6.827 -4.668 1.00 0.00 H new ATOM 0 HA ALA A 654 1.403 -6.131 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.981 -8.033 -7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.398 -7.015 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.191 -8.573 -6.262 1.00 0.00 H new ATOM 1122 N GLU A 655 1.200 -8.828 -4.107 1.00 0.00 N ATOM 1123 CA GLU A 655 0.241 -9.751 -3.488 1.00 0.00 C ATOM 1124 C GLU A 655 -0.815 -8.974 -2.705 1.00 0.00 C ATOM 1125 O GLU A 655 -2.006 -9.273 -2.793 1.00 0.00 O ATOM 1126 CB GLU A 655 0.935 -10.781 -2.574 1.00 0.00 C ATOM 1127 CG GLU A 655 -0.028 -11.557 -1.693 1.00 0.00 C ATOM 1128 CD GLU A 655 0.672 -12.601 -0.853 1.00 0.00 C ATOM 1129 OE1 GLU A 655 1.102 -12.271 0.273 1.00 0.00 O ATOM 1130 OE2 GLU A 655 0.796 -13.755 -1.316 1.00 0.00 O ATOM 0 H GLU A 655 2.162 -8.936 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.244 -10.304 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.496 -11.483 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.658 -10.265 -1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.557 -10.864 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.778 -12.041 -2.318 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.379 -7.958 -1.961 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.301 -7.132 -1.185 1.00 0.00 C ATOM 1139 C LYS A 656 -2.322 -6.443 -2.084 1.00 0.00 C ATOM 1140 O LYS A 656 -3.499 -6.360 -1.740 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.555 -6.081 -0.357 1.00 0.00 C ATOM 1142 CG LYS A 656 -0.315 -6.495 1.086 1.00 0.00 C ATOM 1143 CD LYS A 656 0.188 -5.326 1.920 1.00 0.00 C ATOM 1144 CE LYS A 656 0.362 -5.706 3.385 1.00 0.00 C ATOM 1145 NZ LYS A 656 -0.934 -6.016 4.049 1.00 0.00 N ATOM 0 H LYS A 656 0.601 -7.689 -1.880 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.826 -7.803 -0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.405 -5.873 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 656 -1.124 -5.151 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 656 -1.240 -6.879 1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 656 0.412 -7.307 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 656 1.140 -4.978 1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -0.514 -4.496 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 656 1.020 -6.572 3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 656 0.852 -4.888 3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 -1.138 -5.292 4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 -1.694 -6.024 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 -0.876 -6.949 4.505 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.876 -5.955 -3.234 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.771 -5.271 -4.156 1.00 0.00 C ATOM 1161 C ILE A 657 -3.864 -6.226 -4.641 1.00 0.00 C ATOM 1162 O ILE A 657 -5.037 -5.856 -4.708 1.00 0.00 O ATOM 1163 CB ILE A 657 -2.005 -4.678 -5.363 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.881 -3.761 -4.871 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.958 -3.908 -6.271 1.00 0.00 C ATOM 1166 CD1 ILE A 657 -0.035 -3.177 -5.983 1.00 0.00 C ATOM 0 H ILE A 657 -0.908 -6.019 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 657 -3.232 -4.443 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.567 -5.495 -5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.317 -2.946 -4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.237 -4.323 -4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.404 -3.497 -7.115 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.733 -4.580 -6.638 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.419 -3.095 -5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.739 -2.539 -5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.431 -3.984 -6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.665 -2.586 -6.648 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.482 -7.459 -4.967 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.465 -8.477 -5.346 1.00 0.00 C ATOM 1180 C TYR A 658 -5.373 -8.809 -4.160 1.00 0.00 C ATOM 1181 O TYR A 658 -6.569 -9.031 -4.342 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.815 -9.755 -5.910 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.797 -10.667 -6.639 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -5.827 -10.141 -7.422 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.701 -12.054 -6.541 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -6.725 -10.967 -8.070 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.595 -12.880 -7.193 1.00 0.00 C ATOM 1188 CZ TYR A 658 -6.605 -12.333 -7.952 1.00 0.00 C ATOM 1189 OH TYR A 658 -7.501 -13.157 -8.593 1.00 0.00 O ATOM 0 H TYR A 658 -2.513 -7.777 -4.977 1.00 0.00 H new ATOM 0 HA TYR A 658 -5.067 -8.054 -6.150 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -3.015 -9.474 -6.595 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.354 -10.310 -5.093 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -5.923 -9.070 -7.523 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -3.913 -12.490 -5.945 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -7.518 -10.542 -8.667 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.502 -13.953 -7.108 1.00 0.00 H new ATOM 0 HH TYR A 658 -7.275 -14.093 -8.408 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.808 -8.852 -2.947 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.611 -9.085 -1.752 1.00 0.00 C ATOM 1201 C LYS A 659 -6.697 -8.017 -1.634 1.00 0.00 C ATOM 1202 O LYS A 659 -7.859 -8.328 -1.374 1.00 0.00 O ATOM 1203 CB LYS A 659 -4.740 -9.093 -0.487 1.00 0.00 C ATOM 1204 CG LYS A 659 -3.870 -10.336 -0.327 1.00 0.00 C ATOM 1205 CD LYS A 659 -4.712 -11.589 -0.125 1.00 0.00 C ATOM 1206 CE LYS A 659 -3.849 -12.819 0.132 1.00 0.00 C ATOM 1207 NZ LYS A 659 -3.138 -12.756 1.437 1.00 0.00 N ATOM 0 H LYS A 659 -3.810 -8.730 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 659 -6.078 -10.065 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -4.096 -8.213 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -5.387 -9.003 0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.242 -10.457 -1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -3.201 -10.205 0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -5.390 -11.439 0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.330 -11.757 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -4.476 -13.710 0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.119 -12.920 -0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -2.233 -13.263 1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -2.959 -11.763 1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -3.724 -13.198 2.173 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.308 -6.760 -1.842 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.259 -5.650 -1.867 1.00 0.00 C ATOM 1223 C ILE A 660 -8.307 -5.859 -2.953 1.00 0.00 C ATOM 1224 O ILE A 660 -9.492 -5.600 -2.738 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.541 -4.283 -2.055 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.522 -3.519 -0.738 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.190 -3.419 -3.142 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -5.842 -2.174 -0.841 1.00 0.00 C ATOM 0 H ILE A 660 -5.338 -6.484 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 660 -7.761 -5.629 -0.900 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.523 -4.501 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.546 -3.376 -0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.013 -4.120 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.648 -2.477 -3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -7.157 -3.947 -4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.227 -3.217 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -5.862 -1.681 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -4.808 -2.312 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -6.365 -1.557 -1.572 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.876 -6.361 -4.108 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.792 -6.556 -5.229 1.00 0.00 C ATOM 1242 C GLN A 661 -9.826 -7.604 -4.862 1.00 0.00 C ATOM 1243 O GLN A 661 -11.007 -7.466 -5.173 1.00 0.00 O ATOM 1244 CB GLN A 661 -8.062 -6.958 -6.525 1.00 0.00 C ATOM 1245 CG GLN A 661 -7.179 -5.857 -7.112 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.559 -6.256 -8.436 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -5.363 -6.822 -8.384 1.00 0.00 O flip ATOM 1248 NE2 GLN A 661 -7.144 -6.047 -9.497 1.00 0.00 N flip ATOM 0 H GLN A 661 -6.911 -6.637 -4.291 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.281 -5.602 -5.425 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.446 -7.835 -6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.802 -7.251 -7.270 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.773 -4.954 -7.250 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.388 -5.613 -6.403 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -8.065 -5.608 -9.494 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -6.708 -6.312 -10.380 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.375 -8.645 -4.172 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.252 -9.717 -3.752 1.00 0.00 C ATOM 1259 C LYS A 662 -11.274 -9.204 -2.741 1.00 0.00 C ATOM 1260 O LYS A 662 -12.446 -9.562 -2.805 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.449 -10.876 -3.155 1.00 0.00 C ATOM 1262 CG LYS A 662 -10.314 -12.055 -2.740 1.00 0.00 C ATOM 1263 CD LYS A 662 -9.483 -13.256 -2.315 1.00 0.00 C ATOM 1264 CE LYS A 662 -8.697 -12.990 -1.038 1.00 0.00 C ATOM 1265 NZ LYS A 662 -9.582 -12.729 0.131 1.00 0.00 N ATOM 0 H LYS A 662 -8.401 -8.764 -3.893 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.783 -10.085 -4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.713 -11.213 -3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -8.896 -10.517 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -10.963 -11.755 -1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -10.961 -12.339 -3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -10.138 -14.114 -2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -8.793 -13.520 -3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -8.059 -13.847 -0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -8.040 -12.134 -1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -9.148 -13.124 0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -9.709 -11.703 0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -10.507 -13.177 -0.027 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.823 -8.358 -1.817 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.702 -7.809 -0.786 1.00 0.00 C ATOM 1281 C GLU A 663 -12.775 -6.917 -1.404 1.00 0.00 C ATOM 1282 O GLU A 663 -13.964 -7.068 -1.113 1.00 0.00 O ATOM 1283 CB GLU A 663 -10.904 -7.010 0.251 1.00 0.00 C ATOM 1284 CG GLU A 663 -9.891 -7.837 1.032 1.00 0.00 C ATOM 1285 CD GLU A 663 -10.496 -9.077 1.656 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -11.087 -8.969 2.749 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -10.368 -10.172 1.063 1.00 0.00 O ATOM 0 H GLU A 663 -9.856 -8.038 -1.761 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.184 -8.649 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.381 -6.199 -0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.600 -6.551 0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -9.079 -8.131 0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.453 -7.219 1.816 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.347 -5.997 -2.265 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.263 -5.084 -2.942 1.00 0.00 C ATOM 1296 C LEU A 664 -14.284 -5.862 -3.762 1.00 0.00 C ATOM 1297 O LEU A 664 -15.463 -5.507 -3.813 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.493 -4.115 -3.846 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.506 -3.191 -3.126 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.762 -2.324 -4.127 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -12.226 -2.322 -2.105 1.00 0.00 C ATOM 0 H LEU A 664 -11.366 -5.864 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.789 -4.507 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -11.946 -4.695 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -13.212 -3.500 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.782 -3.812 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -10.065 -1.674 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.211 -2.960 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.476 -1.715 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -11.505 -1.674 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -12.974 -1.711 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.715 -2.957 -1.366 1.00 0.00 H new ATOM 1313 N GLU A 665 -13.822 -6.916 -4.421 1.00 0.00 N ATOM 1314 CA GLU A 665 -14.710 -7.809 -5.144 1.00 0.00 C ATOM 1315 C GLU A 665 -15.649 -8.530 -4.189 1.00 0.00 C ATOM 1316 O GLU A 665 -16.860 -8.526 -4.384 1.00 0.00 O ATOM 1317 CB GLU A 665 -13.903 -8.826 -5.947 1.00 0.00 C ATOM 1318 CG GLU A 665 -13.321 -8.259 -7.225 1.00 0.00 C ATOM 1319 CD GLU A 665 -14.386 -7.988 -8.262 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -14.682 -8.901 -9.059 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -14.935 -6.868 -8.288 1.00 0.00 O ATOM 0 H GLU A 665 -12.836 -7.172 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.308 -7.208 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -13.093 -9.208 -5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -14.543 -9.674 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -12.789 -7.334 -7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -12.589 -8.958 -7.631 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.074 -9.108 -3.140 1.00 0.00 N ATOM 1329 CA GLU A 666 -15.806 -9.968 -2.213 1.00 0.00 C ATOM 1330 C GLU A 666 -17.007 -9.254 -1.615 1.00 0.00 C ATOM 1331 O GLU A 666 -18.107 -9.805 -1.576 1.00 0.00 O ATOM 1332 CB GLU A 666 -14.881 -10.443 -1.091 1.00 0.00 C ATOM 1333 CG GLU A 666 -15.424 -11.633 -0.321 1.00 0.00 C ATOM 1334 CD GLU A 666 -15.654 -12.833 -1.214 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -14.663 -13.398 -1.727 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -16.824 -13.224 -1.403 1.00 0.00 O ATOM 0 H GLU A 666 -14.087 -8.994 -2.907 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.168 -10.827 -2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -13.913 -10.707 -1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.711 -9.619 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -14.725 -11.900 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -16.362 -11.355 0.161 1.00 0.00 H new ATOM 1343 N LYS A 667 -16.799 -8.026 -1.162 1.00 0.00 N ATOM 1344 CA LYS A 667 -17.876 -7.259 -0.562 1.00 0.00 C ATOM 1345 C LYS A 667 -18.996 -7.029 -1.578 1.00 0.00 C ATOM 1346 O LYS A 667 -20.173 -7.108 -1.237 1.00 0.00 O ATOM 1347 CB LYS A 667 -17.352 -5.940 0.040 1.00 0.00 C ATOM 1348 CG LYS A 667 -16.862 -4.904 -0.967 1.00 0.00 C ATOM 1349 CD LYS A 667 -17.974 -3.951 -1.395 1.00 0.00 C ATOM 1350 CE LYS A 667 -18.464 -3.090 -0.237 1.00 0.00 C ATOM 1351 NZ LYS A 667 -19.528 -2.139 -0.657 1.00 0.00 N ATOM 0 H LYS A 667 -15.901 -7.544 -1.199 1.00 0.00 H new ATOM 0 HA LYS A 667 -18.296 -7.833 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -18.147 -5.493 0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -16.534 -6.172 0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -16.043 -4.332 -0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -16.463 -5.412 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -17.612 -3.308 -2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -18.808 -4.525 -1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -18.846 -3.733 0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -17.625 -2.533 0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -19.784 -1.528 0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -19.179 -1.553 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -20.366 -2.671 -0.968 1.00 0.00 H new ATOM 1365 N ARG A 668 -18.625 -6.769 -2.832 1.00 0.00 N ATOM 1366 CA ARG A 668 -19.600 -6.532 -3.882 1.00 0.00 C ATOM 1367 C ARG A 668 -20.309 -7.814 -4.272 1.00 0.00 C ATOM 1368 O ARG A 668 -21.466 -7.811 -4.692 1.00 0.00 O ATOM 1369 CB ARG A 668 -18.930 -5.898 -5.105 1.00 0.00 C ATOM 1370 CG ARG A 668 -19.902 -5.544 -6.218 1.00 0.00 C ATOM 1371 CD ARG A 668 -19.182 -4.997 -7.436 1.00 0.00 C ATOM 1372 NE ARG A 668 -20.118 -4.581 -8.477 1.00 0.00 N ATOM 1373 CZ ARG A 668 -19.839 -4.581 -9.779 1.00 0.00 C ATOM 1374 NH1 ARG A 668 -18.666 -5.032 -10.214 1.00 0.00 N ATOM 1375 NH2 ARG A 668 -20.742 -4.144 -10.645 1.00 0.00 N ATOM 0 H ARG A 668 -17.654 -6.718 -3.140 1.00 0.00 H new ATOM 0 HA ARG A 668 -20.347 -5.839 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -18.404 -4.996 -4.793 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -18.180 -6.586 -5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -20.472 -6.429 -6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -20.618 -4.806 -5.856 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -18.564 -4.148 -7.142 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -18.511 -5.758 -7.834 1.00 0.00 H new ATOM 0 HE ARG A 668 -21.046 -4.270 -8.188 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -17.975 -5.380 -9.549 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -18.457 -5.030 -11.212 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -21.647 -3.809 -10.313 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -20.532 -4.142 -11.643 1.00 0.00 H new ATOM 1389 N ARG A 669 -19.598 -8.899 -4.109 1.00 0.00 N ATOM 1390 CA ARG A 669 -20.123 -10.233 -4.398 1.00 0.00 C ATOM 1391 C ARG A 669 -21.224 -10.578 -3.413 1.00 0.00 C ATOM 1392 O ARG A 669 -22.174 -11.284 -3.744 1.00 0.00 O ATOM 1393 CB ARG A 669 -19.018 -11.291 -4.320 1.00 0.00 C ATOM 1394 CG ARG A 669 -17.888 -11.088 -5.317 1.00 0.00 C ATOM 1395 CD ARG A 669 -18.376 -11.152 -6.753 1.00 0.00 C ATOM 1396 NE ARG A 669 -17.321 -10.808 -7.707 1.00 0.00 N ATOM 1397 CZ ARG A 669 -17.121 -11.444 -8.861 1.00 0.00 C ATOM 1398 NH1 ARG A 669 -17.880 -12.479 -9.197 1.00 0.00 N ATOM 1399 NH2 ARG A 669 -16.156 -11.042 -9.677 1.00 0.00 N ATOM 0 H ARG A 669 -18.635 -8.896 -3.772 1.00 0.00 H new ATOM 0 HA ARG A 669 -20.523 -10.226 -5.412 1.00 0.00 H new ATOM 0 HB2 ARG A 669 -18.602 -11.292 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 669 -19.460 -12.274 -4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 669 -17.416 -10.122 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 669 -17.125 -11.850 -5.160 1.00 0.00 H new ATOM 0 HD2 ARG A 669 -18.744 -12.155 -6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 669 -19.217 -10.470 -6.881 1.00 0.00 H new ATOM 0 HE ARG A 669 -16.700 -10.033 -7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 669 -18.622 -12.792 -8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 669 -17.722 -12.962 -10.082 1.00 0.00 H new ATOM 0 HH21 ARG A 669 -15.569 -10.248 -9.421 1.00 0.00 H new ATOM 0 HH22 ARG A 669 -16.001 -11.527 -10.561 1.00 0.00 H new ATOM 1413 N SER A 670 -21.092 -10.055 -2.204 1.00 0.00 N ATOM 1414 CA SER A 670 -22.083 -10.262 -1.164 1.00 0.00 C ATOM 1415 C SER A 670 -23.130 -9.148 -1.220 1.00 0.00 C ATOM 1416 O SER A 670 -24.041 -9.088 -0.390 1.00 0.00 O ATOM 1417 CB SER A 670 -21.391 -10.293 0.206 1.00 0.00 C ATOM 1418 OG SER A 670 -22.286 -10.673 1.236 1.00 0.00 O ATOM 0 H SER A 670 -20.300 -9.479 -1.919 1.00 0.00 H new ATOM 0 HA SER A 670 -22.587 -11.216 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 670 -20.554 -10.991 0.175 1.00 0.00 H new ATOM 0 HB3 SER A 670 -20.978 -9.309 0.427 1.00 0.00 H new ATOM 0 HG SER A 670 -23.169 -10.285 1.062 1.00 0.00 H new ATOM 1424 N ARG A 671 -22.986 -8.280 -2.230 1.00 0.00 N ATOM 1425 CA ARG A 671 -23.863 -7.124 -2.436 1.00 0.00 C ATOM 1426 C ARG A 671 -23.640 -6.069 -1.358 1.00 0.00 C ATOM 1427 O ARG A 671 -22.896 -6.299 -0.404 1.00 0.00 O ATOM 1428 CB ARG A 671 -25.347 -7.524 -2.491 1.00 0.00 C ATOM 1429 CG ARG A 671 -25.777 -8.170 -3.805 1.00 0.00 C ATOM 1430 CD ARG A 671 -25.196 -9.566 -3.976 1.00 0.00 C ATOM 1431 NE ARG A 671 -25.622 -10.465 -2.905 1.00 0.00 N ATOM 1432 CZ ARG A 671 -25.672 -11.792 -3.017 1.00 0.00 C ATOM 1433 NH1 ARG A 671 -25.321 -12.383 -4.153 1.00 0.00 N ATOM 1434 NH2 ARG A 671 -26.077 -12.527 -1.990 1.00 0.00 N ATOM 0 H ARG A 671 -22.251 -8.363 -2.932 1.00 0.00 H new ATOM 0 HA ARG A 671 -23.600 -6.698 -3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -25.555 -8.216 -1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -25.957 -6.637 -2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -26.865 -8.224 -3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -25.460 -7.542 -4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -25.506 -9.974 -4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -24.108 -9.508 -3.991 1.00 0.00 H new ATOM 0 HE ARG A 671 -25.899 -10.050 -2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -25.011 -11.821 -4.946 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -25.361 -13.399 -4.233 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -26.350 -12.076 -1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -26.116 -13.543 -2.074 1.00 0.00 H new ATOM 1448 N LEU A 672 -24.317 -4.930 -1.506 1.00 0.00 N ATOM 1449 CA LEU A 672 -24.139 -3.778 -0.611 1.00 0.00 C ATOM 1450 C LEU A 672 -22.661 -3.495 -0.337 1.00 0.00 C ATOM 1451 O LEU A 672 -21.964 -3.040 -1.265 1.00 0.00 O ATOM 1452 CB LEU A 672 -24.898 -4.023 0.699 1.00 0.00 C ATOM 1453 CG LEU A 672 -26.419 -4.119 0.555 1.00 0.00 C ATOM 1454 CD1 LEU A 672 -27.054 -4.481 1.884 1.00 0.00 C ATOM 1455 CD2 LEU A 672 -26.992 -2.811 0.030 1.00 0.00 C ATOM 1456 OXT LEU A 672 -22.204 -3.709 0.808 1.00 0.00 O ATOM 0 H LEU A 672 -25.002 -4.777 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 672 -24.546 -2.896 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 672 -24.531 -4.946 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 672 -24.664 -3.217 1.394 1.00 0.00 H new ATOM 0 HG LEU A 672 -26.647 -4.906 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 672 -28.136 -4.545 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 672 -26.668 -5.443 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 672 -26.815 -3.715 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 672 -28.074 -2.900 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 672 -26.754 -2.005 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 672 -26.559 -2.590 -0.945 1.00 0.00 H new TER 1468 LEU A 672 ATOM 1469 N ASP B 840 1.325 -8.926 12.200 1.00 0.00 N ATOM 1470 CA ASP B 840 1.007 -8.904 10.777 1.00 0.00 C ATOM 1471 C ASP B 840 2.224 -8.506 9.959 1.00 0.00 C ATOM 1472 O ASP B 840 2.423 -7.329 9.655 1.00 0.00 O ATOM 1473 CB ASP B 840 -0.150 -7.935 10.488 1.00 0.00 C ATOM 1474 CG ASP B 840 -1.359 -8.204 11.352 1.00 0.00 C ATOM 1475 OD1 ASP B 840 -2.191 -9.059 10.978 1.00 0.00 O ATOM 1476 OD2 ASP B 840 -1.484 -7.564 12.419 1.00 0.00 O ATOM 0 HA ASP B 840 0.702 -9.911 10.491 1.00 0.00 H new ATOM 0 HB2 ASP B 840 0.188 -6.912 10.650 1.00 0.00 H new ATOM 0 HB3 ASP B 840 -0.433 -8.014 9.438 1.00 0.00 H new ATOM 1481 N ALA B 841 3.036 -9.488 9.602 1.00 0.00 N ATOM 1482 CA ALA B 841 4.235 -9.240 8.815 1.00 0.00 C ATOM 1483 C ALA B 841 3.904 -9.163 7.327 1.00 0.00 C ATOM 1484 O ALA B 841 4.296 -10.030 6.545 1.00 0.00 O ATOM 1485 CB ALA B 841 5.272 -10.321 9.082 1.00 0.00 C ATOM 0 H ALA B 841 2.887 -10.467 9.845 1.00 0.00 H new ATOM 0 HA ALA B 841 4.651 -8.278 9.115 1.00 0.00 H new ATOM 0 HB1 ALA B 841 6.164 -10.124 8.487 1.00 0.00 H new ATOM 0 HB2 ALA B 841 5.534 -10.321 10.140 1.00 0.00 H new ATOM 0 HB3 ALA B 841 4.862 -11.294 8.810 1.00 0.00 H new ATOM 1491 N GLY B 842 3.170 -8.121 6.953 1.00 0.00 N ATOM 1492 CA GLY B 842 2.786 -7.921 5.570 1.00 0.00 C ATOM 1493 C GLY B 842 1.887 -9.017 5.050 1.00 0.00 C ATOM 1494 O GLY B 842 2.318 -9.881 4.288 1.00 0.00 O ATOM 0 H GLY B 842 2.831 -7.403 7.593 1.00 0.00 H new ATOM 0 HA2 GLY B 842 2.276 -6.962 5.474 1.00 0.00 H new ATOM 0 HA3 GLY B 842 3.683 -7.869 4.952 1.00 0.00 H new ATOM 1498 N ASN B 843 0.634 -8.979 5.464 1.00 0.00 N ATOM 1499 CA ASN B 843 -0.331 -9.982 5.053 1.00 0.00 C ATOM 1500 C ASN B 843 -1.523 -9.332 4.359 1.00 0.00 C ATOM 1501 O ASN B 843 -1.373 -8.677 3.327 1.00 0.00 O ATOM 1502 CB ASN B 843 -0.798 -10.800 6.262 1.00 0.00 C ATOM 1503 CG ASN B 843 0.294 -11.678 6.852 1.00 0.00 C ATOM 1504 OD1 ASN B 843 1.183 -12.186 6.009 1.00 0.00 O flip ATOM 1505 ND2 ASN B 843 0.330 -11.906 8.062 1.00 0.00 N flip ATOM 0 H ASN B 843 0.260 -8.262 6.086 1.00 0.00 H new ATOM 0 HA ASN B 843 0.154 -10.653 4.344 1.00 0.00 H new ATOM 0 HB2 ASN B 843 -1.164 -10.121 7.032 1.00 0.00 H new ATOM 0 HB3 ASN B 843 -1.638 -11.428 5.965 1.00 0.00 H new ATOM 0 HD21 ASN B 843 -0.372 -11.497 8.679 1.00 0.00 H new ATOM 0 HD22 ASN B 843 1.061 -12.504 8.447 1.00 0.00 H new ATOM 1512 N ILE B 844 -2.691 -9.453 4.966 1.00 0.00 N ATOM 1513 CA ILE B 844 -3.935 -9.006 4.337 1.00 0.00 C ATOM 1514 C ILE B 844 -4.294 -7.605 4.819 1.00 0.00 C ATOM 1515 O ILE B 844 -3.924 -7.206 5.921 1.00 0.00 O ATOM 1516 CB ILE B 844 -5.113 -9.984 4.612 1.00 0.00 C ATOM 1517 CG1 ILE B 844 -4.653 -11.432 4.395 1.00 0.00 C ATOM 1518 CG2 ILE B 844 -6.294 -9.666 3.700 1.00 0.00 C ATOM 1519 CD1 ILE B 844 -5.755 -12.462 4.532 1.00 0.00 C ATOM 0 H ILE B 844 -2.810 -9.857 5.895 1.00 0.00 H new ATOM 0 HA ILE B 844 -3.768 -8.988 3.260 1.00 0.00 H new ATOM 0 HB ILE B 844 -5.433 -9.864 5.647 1.00 0.00 H new ATOM 0 HG12 ILE B 844 -4.214 -11.517 3.401 1.00 0.00 H new ATOM 0 HG13 ILE B 844 -3.865 -11.662 5.112 1.00 0.00 H new ATOM 0 HG21 ILE B 844 -7.109 -10.360 3.905 1.00 0.00 H new ATOM 0 HG22 ILE B 844 -6.631 -8.646 3.883 1.00 0.00 H new ATOM 0 HG23 ILE B 844 -5.987 -9.765 2.659 1.00 0.00 H new ATOM 0 HD11 ILE B 844 -5.345 -13.458 4.364 1.00 0.00 H new ATOM 0 HD12 ILE B 844 -6.180 -12.409 5.534 1.00 0.00 H new ATOM 0 HD13 ILE B 844 -6.534 -12.261 3.797 1.00 0.00 H new ATOM 1531 N LEU B 845 -4.985 -6.852 3.974 1.00 0.00 N ATOM 1532 CA LEU B 845 -5.329 -5.477 4.291 1.00 0.00 C ATOM 1533 C LEU B 845 -6.657 -5.420 5.036 1.00 0.00 C ATOM 1534 O LEU B 845 -7.634 -6.060 4.636 1.00 0.00 O ATOM 1535 CB LEU B 845 -5.372 -4.620 3.019 1.00 0.00 C ATOM 1536 CG LEU B 845 -4.042 -4.535 2.259 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -3.966 -5.604 1.180 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -3.849 -3.155 1.655 1.00 0.00 C ATOM 0 H LEU B 845 -5.317 -7.172 3.064 1.00 0.00 H new ATOM 0 HA LEU B 845 -4.556 -5.068 4.942 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -6.132 -5.024 2.350 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -5.687 -3.612 3.287 1.00 0.00 H new ATOM 0 HG LEU B 845 -3.237 -4.710 2.973 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -3.014 -5.524 0.655 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -4.046 -6.590 1.638 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -4.784 -5.466 0.473 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -2.899 -3.121 1.122 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -4.663 -2.945 0.961 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -3.847 -2.408 2.448 1.00 0.00 H new ATOM 1550 N PRO B 846 -6.682 -4.659 6.146 1.00 0.00 N ATOM 1551 CA PRO B 846 -7.841 -4.545 7.044 1.00 0.00 C ATOM 1552 C PRO B 846 -9.170 -4.331 6.323 1.00 0.00 C ATOM 1553 O PRO B 846 -9.303 -3.451 5.467 1.00 0.00 O ATOM 1554 CB PRO B 846 -7.502 -3.314 7.879 1.00 0.00 C ATOM 1555 CG PRO B 846 -6.021 -3.296 7.938 1.00 0.00 C ATOM 1556 CD PRO B 846 -5.548 -3.840 6.620 1.00 0.00 C ATOM 0 HA PRO B 846 -7.989 -5.465 7.610 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -7.891 -2.405 7.420 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -7.937 -3.380 8.876 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -5.649 -2.284 8.099 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -5.656 -3.905 8.765 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -5.313 -3.039 5.919 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -4.644 -4.438 6.736 1.00 0.00 H new ATOM 1564 N SER B 847 -10.150 -5.145 6.712 1.00 0.00 N ATOM 1565 CA SER B 847 -11.510 -5.070 6.187 1.00 0.00 C ATOM 1566 C SER B 847 -12.079 -3.664 6.383 1.00 0.00 C ATOM 1567 O SER B 847 -12.773 -3.137 5.515 1.00 0.00 O ATOM 1568 CB SER B 847 -12.402 -6.108 6.885 1.00 0.00 C ATOM 1569 OG SER B 847 -13.682 -6.183 6.281 1.00 0.00 O ATOM 0 H SER B 847 -10.020 -5.881 7.406 1.00 0.00 H new ATOM 0 HA SER B 847 -11.486 -5.288 5.119 1.00 0.00 H new ATOM 0 HB2 SER B 847 -11.922 -7.086 6.846 1.00 0.00 H new ATOM 0 HB3 SER B 847 -12.510 -5.847 7.938 1.00 0.00 H new ATOM 0 HG SER B 847 -14.225 -6.853 6.747 1.00 0.00 H new ATOM 1575 N ASP B 848 -11.771 -3.062 7.530 1.00 0.00 N ATOM 1576 CA ASP B 848 -12.285 -1.747 7.876 1.00 0.00 C ATOM 1577 C ASP B 848 -11.849 -0.678 6.864 1.00 0.00 C ATOM 1578 O ASP B 848 -12.632 0.208 6.540 1.00 0.00 O ATOM 1579 CB ASP B 848 -11.869 -1.361 9.300 1.00 0.00 C ATOM 1580 CG ASP B 848 -10.463 -0.807 9.406 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -9.506 -1.606 9.496 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -10.313 0.430 9.426 1.00 0.00 O ATOM 0 H ASP B 848 -11.162 -3.472 8.238 1.00 0.00 H new ATOM 0 HA ASP B 848 -13.373 -1.799 7.838 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -12.570 -0.619 9.683 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -11.951 -2.239 9.941 1.00 0.00 H new ATOM 1587 N ILE B 849 -10.606 -0.746 6.373 1.00 0.00 N ATOM 1588 CA ILE B 849 -10.143 0.199 5.349 1.00 0.00 C ATOM 1589 C ILE B 849 -10.939 0.007 4.055 1.00 0.00 C ATOM 1590 O ILE B 849 -11.278 0.974 3.370 1.00 0.00 O ATOM 1591 CB ILE B 849 -8.620 0.095 5.054 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -7.804 0.260 6.344 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -8.204 1.154 4.034 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -7.905 1.638 6.975 1.00 0.00 C ATOM 0 H ILE B 849 -9.911 -1.435 6.662 1.00 0.00 H new ATOM 0 HA ILE B 849 -10.315 1.197 5.752 1.00 0.00 H new ATOM 0 HB ILE B 849 -8.420 -0.894 4.641 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -8.137 -0.484 7.068 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -6.757 0.048 6.127 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -7.135 1.069 3.837 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -8.757 1.003 3.107 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -8.423 2.146 4.430 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -7.299 1.669 7.881 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -7.544 2.388 6.271 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -8.945 1.848 7.227 1.00 0.00 H new ATOM 1606 N MET B 850 -11.232 -1.248 3.729 1.00 0.00 N ATOM 1607 CA MET B 850 -12.037 -1.575 2.550 1.00 0.00 C ATOM 1608 C MET B 850 -13.440 -0.982 2.687 1.00 0.00 C ATOM 1609 O MET B 850 -13.992 -0.433 1.735 1.00 0.00 O ATOM 1610 CB MET B 850 -12.119 -3.096 2.358 1.00 0.00 C ATOM 1611 CG MET B 850 -10.771 -3.781 2.149 1.00 0.00 C ATOM 1612 SD MET B 850 -9.904 -3.237 0.657 1.00 0.00 S ATOM 1613 CE MET B 850 -8.978 -1.825 1.261 1.00 0.00 C ATOM 0 H MET B 850 -10.924 -2.060 4.265 1.00 0.00 H new ATOM 0 HA MET B 850 -11.557 -1.142 1.673 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.604 -3.534 3.231 1.00 0.00 H new ATOM 0 HB3 MET B 850 -12.757 -3.307 1.500 1.00 0.00 H new ATOM 0 HG2 MET B 850 -10.138 -3.591 3.016 1.00 0.00 H new ATOM 0 HG3 MET B 850 -10.925 -4.859 2.097 1.00 0.00 H new ATOM 0 HE1 MET B 850 -9.327 -0.921 0.762 1.00 0.00 H new ATOM 0 HE2 MET B 850 -9.125 -1.726 2.336 1.00 0.00 H new ATOM 0 HE3 MET B 850 -7.918 -1.969 1.052 1.00 0.00 H new ATOM 1623 N ASP B 851 -14.013 -1.102 3.876 1.00 0.00 N ATOM 1624 CA ASP B 851 -15.274 -0.429 4.191 1.00 0.00 C ATOM 1625 C ASP B 851 -15.112 1.090 4.117 1.00 0.00 C ATOM 1626 O ASP B 851 -15.994 1.796 3.633 1.00 0.00 O ATOM 1627 CB ASP B 851 -15.771 -0.823 5.594 1.00 0.00 C ATOM 1628 CG ASP B 851 -16.542 -2.128 5.610 1.00 0.00 C ATOM 1629 OD1 ASP B 851 -15.914 -3.203 5.626 1.00 0.00 O ATOM 1630 OD2 ASP B 851 -17.793 -2.085 5.621 1.00 0.00 O ATOM 0 H ASP B 851 -13.629 -1.657 4.640 1.00 0.00 H new ATOM 0 HA ASP B 851 -16.010 -0.746 3.452 1.00 0.00 H new ATOM 0 HB2 ASP B 851 -14.916 -0.905 6.265 1.00 0.00 H new ATOM 0 HB3 ASP B 851 -16.407 -0.028 5.984 1.00 0.00 H new ATOM 1635 N PHE B 852 -13.972 1.571 4.600 1.00 0.00 N ATOM 1636 CA PHE B 852 -13.690 2.999 4.723 1.00 0.00 C ATOM 1637 C PHE B 852 -13.760 3.714 3.371 1.00 0.00 C ATOM 1638 O PHE B 852 -14.355 4.786 3.265 1.00 0.00 O ATOM 1639 CB PHE B 852 -12.304 3.179 5.351 1.00 0.00 C ATOM 1640 CG PHE B 852 -12.169 4.360 6.273 1.00 0.00 C ATOM 1641 CD1 PHE B 852 -13.192 4.710 7.141 1.00 0.00 C ATOM 1642 CD2 PHE B 852 -10.997 5.101 6.294 1.00 0.00 C ATOM 1643 CE1 PHE B 852 -13.051 5.776 8.007 1.00 0.00 C ATOM 1644 CE2 PHE B 852 -10.853 6.169 7.155 1.00 0.00 C ATOM 1645 CZ PHE B 852 -11.880 6.508 8.013 1.00 0.00 C ATOM 0 H PHE B 852 -13.209 0.975 4.921 1.00 0.00 H new ATOM 0 HA PHE B 852 -14.451 3.449 5.360 1.00 0.00 H new ATOM 0 HB2 PHE B 852 -12.053 2.275 5.905 1.00 0.00 H new ATOM 0 HB3 PHE B 852 -11.570 3.276 4.551 1.00 0.00 H new ATOM 0 HD1 PHE B 852 -14.110 4.142 7.140 1.00 0.00 H new ATOM 0 HD2 PHE B 852 -10.188 4.839 5.629 1.00 0.00 H new ATOM 0 HE1 PHE B 852 -13.855 6.037 8.679 1.00 0.00 H new ATOM 0 HE2 PHE B 852 -9.936 6.740 7.158 1.00 0.00 H new ATOM 0 HZ PHE B 852 -11.768 7.344 8.688 1.00 0.00 H new ATOM 1655 N VAL B 853 -13.161 3.120 2.337 1.00 0.00 N ATOM 1656 CA VAL B 853 -13.187 3.719 1.001 1.00 0.00 C ATOM 1657 C VAL B 853 -14.612 3.787 0.451 1.00 0.00 C ATOM 1658 O VAL B 853 -15.021 4.804 -0.108 1.00 0.00 O ATOM 1659 CB VAL B 853 -12.256 2.983 -0.005 1.00 0.00 C ATOM 1660 CG1 VAL B 853 -12.264 1.481 0.221 1.00 0.00 C ATOM 1661 CG2 VAL B 853 -12.663 3.289 -1.442 1.00 0.00 C ATOM 0 H VAL B 853 -12.657 2.235 2.397 1.00 0.00 H new ATOM 0 HA VAL B 853 -12.805 4.733 1.115 1.00 0.00 H new ATOM 0 HB VAL B 853 -11.244 3.349 0.166 1.00 0.00 H new ATOM 0 HG11 VAL B 853 -11.602 1.001 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL B 853 -11.918 1.263 1.232 1.00 0.00 H new ATOM 0 HG13 VAL B 853 -13.277 1.099 0.094 1.00 0.00 H new ATOM 0 HG21 VAL B 853 -11.998 2.764 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL B 853 -13.689 2.960 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL B 853 -12.593 4.362 -1.619 1.00 0.00 H new ATOM 1671 N LEU B 854 -15.367 2.708 0.619 1.00 0.00 N ATOM 1672 CA LEU B 854 -16.764 2.678 0.196 1.00 0.00 C ATOM 1673 C LEU B 854 -17.586 3.684 1.001 1.00 0.00 C ATOM 1674 O LEU B 854 -18.516 4.294 0.475 1.00 0.00 O ATOM 1675 CB LEU B 854 -17.366 1.267 0.308 1.00 0.00 C ATOM 1676 CG LEU B 854 -17.062 0.282 -0.847 1.00 0.00 C ATOM 1677 CD1 LEU B 854 -17.696 0.730 -2.164 1.00 0.00 C ATOM 1678 CD2 LEU B 854 -15.564 0.086 -1.027 1.00 0.00 C ATOM 0 H LEU B 854 -15.037 1.842 1.045 1.00 0.00 H new ATOM 0 HA LEU B 854 -16.797 2.960 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU B 854 -17.012 0.820 1.237 1.00 0.00 H new ATOM 0 HB3 LEU B 854 -18.448 1.366 0.394 1.00 0.00 H new ATOM 0 HG LEU B 854 -17.508 -0.673 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU B 854 -17.457 0.010 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU B 854 -18.778 0.791 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU B 854 -17.306 1.709 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU B 854 -15.384 -0.611 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU B 854 -15.097 1.044 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU B 854 -15.137 -0.315 -0.108 1.00 0.00 H new ATOM 1690 N LYS B 855 -17.254 3.835 2.284 1.00 0.00 N ATOM 1691 CA LYS B 855 -17.952 4.785 3.158 1.00 0.00 C ATOM 1692 C LYS B 855 -17.864 6.207 2.597 1.00 0.00 C ATOM 1693 O LYS B 855 -18.749 7.033 2.828 1.00 0.00 O ATOM 1694 CB LYS B 855 -17.368 4.755 4.585 1.00 0.00 C ATOM 1695 CG LYS B 855 -18.098 5.670 5.575 1.00 0.00 C ATOM 1696 CD LYS B 855 -19.541 5.239 5.783 1.00 0.00 C ATOM 1697 CE LYS B 855 -19.626 3.864 6.422 1.00 0.00 C ATOM 1698 NZ LYS B 855 -21.032 3.442 6.647 1.00 0.00 N ATOM 0 H LYS B 855 -16.507 3.313 2.743 1.00 0.00 H new ATOM 0 HA LYS B 855 -18.999 4.484 3.200 1.00 0.00 H new ATOM 0 HB2 LYS B 855 -17.401 3.732 4.959 1.00 0.00 H new ATOM 0 HB3 LYS B 855 -16.318 5.045 4.543 1.00 0.00 H new ATOM 0 HG2 LYS B 855 -17.575 5.662 6.531 1.00 0.00 H new ATOM 0 HG3 LYS B 855 -18.074 6.696 5.207 1.00 0.00 H new ATOM 0 HD2 LYS B 855 -20.051 5.967 6.414 1.00 0.00 H new ATOM 0 HD3 LYS B 855 -20.060 5.228 4.825 1.00 0.00 H new ATOM 0 HE2 LYS B 855 -19.127 3.136 5.783 1.00 0.00 H new ATOM 0 HE3 LYS B 855 -19.093 3.872 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS B 855 -21.046 2.499 7.084 1.00 0.00 H new ATOM 0 HZ2 LYS B 855 -21.502 4.123 7.277 1.00 0.00 H new ATOM 0 HZ3 LYS B 855 -21.534 3.409 5.737 1.00 0.00 H new ATOM 1712 N ASN B 856 -16.809 6.482 1.843 1.00 0.00 N ATOM 1713 CA ASN B 856 -16.632 7.796 1.237 1.00 0.00 C ATOM 1714 C ASN B 856 -17.218 7.806 -0.170 1.00 0.00 C ATOM 1715 O ASN B 856 -16.898 6.950 -0.995 1.00 0.00 O ATOM 1716 CB ASN B 856 -15.144 8.163 1.186 1.00 0.00 C ATOM 1717 CG ASN B 856 -14.886 9.539 0.591 1.00 0.00 C ATOM 1718 OD1 ASN B 856 -13.881 9.753 -0.083 1.00 0.00 O ATOM 1719 ND2 ASN B 856 -15.774 10.490 0.854 1.00 0.00 N ATOM 0 H ASN B 856 -16.065 5.816 1.636 1.00 0.00 H new ATOM 0 HA ASN B 856 -17.155 8.534 1.846 1.00 0.00 H new ATOM 0 HB2 ASN B 856 -14.733 8.128 2.195 1.00 0.00 H new ATOM 0 HB3 ASN B 856 -14.612 7.415 0.599 1.00 0.00 H new ATOM 0 HD21 ASN B 856 -15.633 11.433 0.493 1.00 0.00 H new ATOM 0 HD22 ASN B 856 -16.597 10.277 1.417 1.00 0.00 H new ATOM 1726 N THR B 857 -18.075 8.775 -0.436 1.00 0.00 N ATOM 1727 CA THR B 857 -18.701 8.905 -1.737 1.00 0.00 C ATOM 1728 C THR B 857 -18.651 10.362 -2.198 1.00 0.00 C ATOM 1729 O THR B 857 -19.624 11.102 -2.050 1.00 0.00 O ATOM 1730 CB THR B 857 -20.168 8.424 -1.694 1.00 0.00 C ATOM 1731 OG1 THR B 857 -20.273 7.243 -0.885 1.00 0.00 O ATOM 1732 CG2 THR B 857 -20.681 8.120 -3.093 1.00 0.00 C ATOM 0 H THR B 857 -18.354 9.488 0.238 1.00 0.00 H new ATOM 0 HA THR B 857 -18.152 8.281 -2.442 1.00 0.00 H new ATOM 0 HB THR B 857 -20.773 9.222 -1.263 1.00 0.00 H new ATOM 0 HG1 THR B 857 -21.206 6.945 -0.861 1.00 0.00 H new ATOM 0 HG21 THR B 857 -21.716 7.783 -3.036 1.00 0.00 H new ATOM 0 HG22 THR B 857 -20.626 9.021 -3.704 1.00 0.00 H new ATOM 0 HG23 THR B 857 -20.069 7.338 -3.543 1.00 0.00 H new ATOM 1740 N PRO B 858 -17.503 10.798 -2.740 1.00 0.00 N ATOM 1741 CA PRO B 858 -17.306 12.171 -3.174 1.00 0.00 C ATOM 1742 C PRO B 858 -17.694 12.379 -4.636 1.00 0.00 C ATOM 1743 O PRO B 858 -16.801 12.335 -5.509 1.00 0.00 O ATOM 1744 CB PRO B 858 -15.802 12.375 -2.972 1.00 0.00 C ATOM 1745 CG PRO B 858 -15.183 11.009 -3.052 1.00 0.00 C ATOM 1746 CD PRO B 858 -16.299 9.990 -2.973 1.00 0.00 C ATOM 1747 OXT PRO B 858 -18.896 12.583 -4.910 1.00 0.00 O ATOM 0 HA PRO B 858 -17.926 12.878 -2.622 1.00 0.00 H new ATOM 0 HB2 PRO B 858 -15.392 13.034 -3.737 1.00 0.00 H new ATOM 0 HB3 PRO B 858 -15.598 12.840 -2.007 1.00 0.00 H new ATOM 0 HG2 PRO B 858 -14.627 10.895 -3.983 1.00 0.00 H new ATOM 0 HG3 PRO B 858 -14.474 10.863 -2.237 1.00 0.00 H new ATOM 0 HD2 PRO B 858 -16.378 9.413 -3.894 1.00 0.00 H new ATOM 0 HD3 PRO B 858 -16.133 9.279 -2.164 1.00 0.00 H new TER 1755 PRO B 858