USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=29 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 592 HIS : no HD1:sc= -0.0865 X(o=-0.22,f=-0.059) USER MOD Set 1.2: A 640 TYR OH : rot 60:sc= -0.135 USER MOD Set 2.1: A 631 TYR OH : rot 80:sc= 1.04 USER MOD Set 2.2: A 656 LYS NZ :NH3+ 163:sc= 2.31 (180deg=1.01) USER MOD Single : A 589 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0513) USER MOD Single : A 594 HIS : no HE2:sc= -1.01 K(o=-1,f=-1.6) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.09 USER MOD Single : A 597 GLN :FLIP amide:sc= -0.422 F(o=-1.3,f=-0.42) USER MOD Single : A 601 SER OG : rot 14:sc= -0.199 USER MOD Single : A 602 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 605 HIS : no HD1:sc=-0.00641 X(o=-0.0064,f=0) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= -2.58 X(o=-2.6,f=-2.8!) USER MOD Single : A 614 THR OG1 : rot 41:sc= 0.445 USER MOD Single : A 621 LYS NZ :NH3+ 164:sc= -0.0289 (180deg=-0.291) USER MOD Single : A 625 MET CE :methyl -168:sc= -0.192 (180deg=-0.513) USER MOD Single : A 627 ASN :FLIP amide:sc= -0.0264 F(o=-1.8!,f=-0.026) USER MOD Single : A 633 LYS NZ :NH3+ 165:sc= -0.0304 (180deg=-0.276) USER MOD Single : A 634 LYS NZ :NH3+ -158:sc= -0.0566 (180deg=-0.381) USER MOD Single : A 639 MET CE :methyl 150:sc= -0.432 (180deg=-0.734) USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 644 ASN : amide:sc= -0.658! C(o=-0.66!,f=-8!) USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 649 TYR OH : rot -30:sc= -1.54! USER MOD Single : A 650 TYR OH : rot 180:sc= 0 USER MOD Single : A 651 HIS : no HE2:sc= 1.25 K(o=1.3,f=-4.9!) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 GLN :FLIP amide:sc= -0.372 F(o=-2.2,f=-0.37) USER MOD Single : A 662 LYS NZ :NH3+ -171:sc=-0.00377 (180deg=-0.0835) USER MOD Single : A 667 LYS NZ :NH3+ -158:sc= 1.64 (180deg=0.951) USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : B 843 ASN : amide:sc= -2.15! C(o=-2.2!,f=-3!) USER MOD Single : B 847 SER OG : rot -60:sc= 0.811 USER MOD Single : B 850 MET CE :methyl -139:sc= -0.742 (180deg=-1.51!) USER MOD Single : B 855 LYS NZ :NH3+ 167:sc= -0.0159 (180deg=-0.183) USER MOD Single : B 856 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.77) USER MOD Single : B 857 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 586 27.748 -5.978 -1.016 1.00 0.00 N ATOM 2 CA GLY A 586 27.662 -7.253 -1.672 1.00 0.00 C ATOM 3 C GLY A 586 26.545 -8.078 -1.086 1.00 0.00 C ATOM 4 O GLY A 586 25.778 -7.566 -0.272 1.00 0.00 O ATOM 0 HA2 GLY A 586 27.493 -7.108 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 586 28.607 -7.786 -1.568 1.00 0.00 H new ATOM 8 N VAL A 587 26.475 -9.345 -1.496 1.00 0.00 N ATOM 9 CA VAL A 587 25.453 -10.312 -1.043 1.00 0.00 C ATOM 10 C VAL A 587 24.025 -9.735 -1.069 1.00 0.00 C ATOM 11 O VAL A 587 23.786 -8.658 -1.625 1.00 0.00 O ATOM 12 CB VAL A 587 25.773 -10.933 0.351 1.00 0.00 C ATOM 13 CG1 VAL A 587 27.052 -11.751 0.286 1.00 0.00 C ATOM 14 CG2 VAL A 587 25.883 -9.887 1.447 1.00 0.00 C ATOM 0 H VAL A 587 27.135 -9.743 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 587 25.492 -11.120 -1.774 1.00 0.00 H new ATOM 0 HB VAL A 587 24.935 -11.582 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 587 27.261 -12.178 1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 587 26.934 -12.554 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 587 27.880 -11.109 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 587 26.107 -10.376 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 587 26.681 -9.186 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 587 24.940 -9.347 1.531 1.00 0.00 H new ATOM 24 N ARG A 588 23.062 -10.485 -0.540 1.00 0.00 N ATOM 25 CA ARG A 588 21.679 -10.018 -0.520 1.00 0.00 C ATOM 26 C ARG A 588 21.512 -8.746 0.317 1.00 0.00 C ATOM 27 O ARG A 588 20.663 -7.916 -0.007 1.00 0.00 O ATOM 28 CB ARG A 588 20.702 -11.137 -0.075 1.00 0.00 C ATOM 29 CG ARG A 588 20.944 -11.736 1.311 1.00 0.00 C ATOM 30 CD ARG A 588 20.296 -10.912 2.416 1.00 0.00 C ATOM 31 NE ARG A 588 20.299 -11.624 3.693 1.00 0.00 N ATOM 32 CZ ARG A 588 19.674 -11.198 4.790 1.00 0.00 C ATOM 33 NH1 ARG A 588 19.065 -10.021 4.804 1.00 0.00 N ATOM 34 NH2 ARG A 588 19.682 -11.945 5.884 1.00 0.00 N ATOM 0 H ARG A 588 23.210 -11.405 -0.125 1.00 0.00 H new ATOM 0 HA ARG A 588 21.419 -9.754 -1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 588 19.688 -10.737 -0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 588 20.747 -11.942 -0.808 1.00 0.00 H new ATOM 0 HG2 ARG A 588 20.550 -12.752 1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 588 22.017 -11.805 1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 588 20.828 -9.967 2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 588 19.271 -10.670 2.136 1.00 0.00 H new ATOM 0 HE ARG A 588 20.813 -12.504 3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 588 19.072 -9.433 3.970 1.00 0.00 H new ATOM 0 HH12 ARG A 588 18.589 -9.703 5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 588 20.166 -12.843 5.885 1.00 0.00 H new ATOM 0 HH22 ARG A 588 19.205 -11.622 6.726 1.00 0.00 H new ATOM 48 N LYS A 589 22.293 -8.599 1.396 1.00 0.00 N ATOM 49 CA LYS A 589 22.263 -7.368 2.195 1.00 0.00 C ATOM 50 C LYS A 589 22.389 -6.130 1.291 1.00 0.00 C ATOM 51 O LYS A 589 23.256 -6.061 0.415 1.00 0.00 O ATOM 52 CB LYS A 589 23.376 -7.389 3.281 1.00 0.00 C ATOM 53 CG LYS A 589 24.719 -6.840 2.821 1.00 0.00 C ATOM 54 CD LYS A 589 25.789 -6.995 3.891 1.00 0.00 C ATOM 55 CE LYS A 589 27.148 -6.507 3.404 1.00 0.00 C ATOM 56 NZ LYS A 589 27.162 -5.041 3.147 1.00 0.00 N ATOM 0 H LYS A 589 22.945 -9.308 1.732 1.00 0.00 H new ATOM 0 HA LYS A 589 21.301 -7.312 2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 589 23.037 -6.811 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 589 23.515 -8.415 3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 589 25.033 -7.359 1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 589 24.612 -5.786 2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 589 25.498 -6.435 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 589 25.862 -8.042 4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 589 27.907 -6.751 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 589 27.416 -7.037 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 28.130 -4.738 2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 26.531 -4.822 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 26.835 -4.537 3.996 1.00 0.00 H new ATOM 70 N GLY A 590 21.490 -5.173 1.481 1.00 0.00 N ATOM 71 CA GLY A 590 21.501 -3.973 0.673 1.00 0.00 C ATOM 72 C GLY A 590 20.147 -3.300 0.628 1.00 0.00 C ATOM 73 O GLY A 590 19.417 -3.421 -0.353 1.00 0.00 O ATOM 0 H GLY A 590 20.751 -5.209 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 590 22.238 -3.276 1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 590 21.814 -4.223 -0.341 1.00 0.00 H new ATOM 77 N TRP A 591 19.827 -2.575 1.688 1.00 0.00 N ATOM 78 CA TRP A 591 18.529 -1.929 1.821 1.00 0.00 C ATOM 79 C TRP A 591 18.496 -0.640 1.004 1.00 0.00 C ATOM 80 O TRP A 591 17.831 -0.551 -0.027 1.00 0.00 O ATOM 81 CB TRP A 591 18.240 -1.600 3.298 1.00 0.00 C ATOM 82 CG TRP A 591 19.129 -2.325 4.272 1.00 0.00 C ATOM 83 CD1 TRP A 591 18.788 -3.374 5.077 1.00 0.00 C ATOM 84 CD2 TRP A 591 20.513 -2.047 4.540 1.00 0.00 C ATOM 85 NE1 TRP A 591 19.872 -3.758 5.830 1.00 0.00 N ATOM 86 CE2 TRP A 591 20.941 -2.958 5.521 1.00 0.00 C ATOM 87 CE3 TRP A 591 21.429 -1.112 4.047 1.00 0.00 C ATOM 88 CZ2 TRP A 591 22.245 -2.962 6.016 1.00 0.00 C ATOM 89 CZ3 TRP A 591 22.720 -1.117 4.539 1.00 0.00 C ATOM 90 CH2 TRP A 591 23.118 -2.038 5.515 1.00 0.00 C ATOM 0 H TRP A 591 20.455 -2.418 2.476 1.00 0.00 H new ATOM 0 HA TRP A 591 17.767 -2.615 1.450 1.00 0.00 H new ATOM 0 HB2 TRP A 591 18.352 -0.526 3.449 1.00 0.00 H new ATOM 0 HB3 TRP A 591 17.201 -1.846 3.518 1.00 0.00 H new ATOM 0 HD1 TRP A 591 17.812 -3.834 5.116 1.00 0.00 H new ATOM 0 HE1 TRP A 591 19.880 -4.518 6.511 1.00 0.00 H new ATOM 0 HE3 TRP A 591 21.132 -0.397 3.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 591 22.554 -3.671 6.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 591 23.434 -0.398 4.164 1.00 0.00 H new ATOM 0 HH2 TRP A 591 24.135 -2.018 5.879 1.00 0.00 H new ATOM 101 N HIS A 592 19.258 0.345 1.459 1.00 0.00 N ATOM 102 CA HIS A 592 19.222 1.681 0.871 1.00 0.00 C ATOM 103 C HIS A 592 20.309 1.848 -0.179 1.00 0.00 C ATOM 104 O HIS A 592 20.458 2.920 -0.761 1.00 0.00 O ATOM 105 CB HIS A 592 19.379 2.760 1.953 1.00 0.00 C ATOM 106 CG HIS A 592 18.196 2.884 2.869 1.00 0.00 C ATOM 107 ND1 HIS A 592 18.234 2.558 4.210 1.00 0.00 N ATOM 108 CD2 HIS A 592 16.933 3.302 2.626 1.00 0.00 C ATOM 109 CE1 HIS A 592 17.046 2.763 4.743 1.00 0.00 C ATOM 110 NE2 HIS A 592 16.237 3.217 3.806 1.00 0.00 N ATOM 0 H HIS A 592 19.911 0.245 2.236 1.00 0.00 H new ATOM 0 HA HIS A 592 18.251 1.800 0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 592 20.264 2.537 2.548 1.00 0.00 H new ATOM 0 HB3 HIS A 592 19.554 3.721 1.470 1.00 0.00 H new ATOM 0 HD2 HIS A 592 16.543 3.641 1.677 1.00 0.00 H new ATOM 0 HE1 HIS A 592 16.780 2.588 5.775 1.00 0.00 H new ATOM 0 HE2 HIS A 592 15.256 3.464 3.936 1.00 0.00 H new ATOM 119 N GLU A 593 21.063 0.786 -0.432 1.00 0.00 N ATOM 120 CA GLU A 593 22.250 0.898 -1.260 1.00 0.00 C ATOM 121 C GLU A 593 21.939 0.746 -2.749 1.00 0.00 C ATOM 122 O GLU A 593 22.533 1.435 -3.576 1.00 0.00 O ATOM 123 CB GLU A 593 23.292 -0.128 -0.829 1.00 0.00 C ATOM 124 CG GLU A 593 22.968 -1.552 -1.238 1.00 0.00 C ATOM 125 CD GLU A 593 24.083 -2.514 -0.917 1.00 0.00 C ATOM 126 OE1 GLU A 593 24.667 -2.404 0.180 1.00 0.00 O ATOM 127 OE2 GLU A 593 24.367 -3.395 -1.752 1.00 0.00 O ATOM 0 H GLU A 593 20.874 -0.152 -0.079 1.00 0.00 H new ATOM 0 HA GLU A 593 22.649 1.902 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 593 24.257 0.150 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 593 23.398 -0.088 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 593 22.058 -1.874 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 593 22.764 -1.581 -2.308 1.00 0.00 H new ATOM 134 N HIS A 594 21.014 -0.141 -3.097 1.00 0.00 N ATOM 135 CA HIS A 594 20.678 -0.370 -4.496 1.00 0.00 C ATOM 136 C HIS A 594 19.171 -0.265 -4.701 1.00 0.00 C ATOM 137 O HIS A 594 18.586 -0.960 -5.530 1.00 0.00 O ATOM 138 CB HIS A 594 21.219 -1.724 -4.998 1.00 0.00 C ATOM 139 CG HIS A 594 20.874 -2.918 -4.151 1.00 0.00 C ATOM 140 ND1 HIS A 594 21.820 -3.637 -3.449 1.00 0.00 N ATOM 141 CD2 HIS A 594 19.693 -3.543 -3.924 1.00 0.00 C ATOM 142 CE1 HIS A 594 21.237 -4.647 -2.834 1.00 0.00 C ATOM 143 NE2 HIS A 594 19.946 -4.614 -3.103 1.00 0.00 N ATOM 0 H HIS A 594 20.487 -0.710 -2.434 1.00 0.00 H new ATOM 0 HA HIS A 594 21.162 0.405 -5.091 1.00 0.00 H new ATOM 0 HB2 HIS A 594 20.840 -1.895 -6.006 1.00 0.00 H new ATOM 0 HB3 HIS A 594 22.304 -1.656 -5.073 1.00 0.00 H new ATOM 0 HD1 HIS A 594 22.816 -3.421 -3.412 1.00 0.00 H new ATOM 0 HD2 HIS A 594 18.730 -3.252 -4.317 1.00 0.00 H new ATOM 0 HE1 HIS A 594 21.733 -5.379 -2.214 1.00 0.00 H new ATOM 152 N VAL A 595 18.558 0.595 -3.903 1.00 0.00 N ATOM 153 CA VAL A 595 17.155 0.955 -4.065 1.00 0.00 C ATOM 154 C VAL A 595 17.004 2.454 -3.856 1.00 0.00 C ATOM 155 O VAL A 595 17.530 3.002 -2.888 1.00 0.00 O ATOM 156 CB VAL A 595 16.242 0.196 -3.068 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.860 0.837 -2.981 1.00 0.00 C ATOM 158 CG2 VAL A 595 16.114 -1.265 -3.465 1.00 0.00 C ATOM 0 H VAL A 595 19.018 1.065 -3.123 1.00 0.00 H new ATOM 0 HA VAL A 595 16.845 0.674 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 595 16.708 0.256 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 595 14.245 0.281 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.958 1.869 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 595 14.388 0.820 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 595 15.469 -1.780 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.681 -1.334 -4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 595 17.100 -1.730 -3.464 1.00 0.00 H new ATOM 168 N THR A 596 16.298 3.113 -4.759 1.00 0.00 N ATOM 169 CA THR A 596 16.111 4.549 -4.668 1.00 0.00 C ATOM 170 C THR A 596 14.860 4.891 -3.863 1.00 0.00 C ATOM 171 O THR A 596 13.950 4.067 -3.730 1.00 0.00 O ATOM 172 CB THR A 596 16.040 5.192 -6.076 1.00 0.00 C ATOM 173 OG1 THR A 596 15.642 6.569 -5.989 1.00 0.00 O ATOM 174 CG2 THR A 596 15.076 4.435 -6.977 1.00 0.00 C ATOM 0 H THR A 596 15.846 2.676 -5.562 1.00 0.00 H new ATOM 0 HA THR A 596 16.975 4.961 -4.147 1.00 0.00 H new ATOM 0 HB THR A 596 17.038 5.139 -6.511 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.605 6.956 -6.888 1.00 0.00 H new ATOM 0 HG21 THR A 596 15.047 4.909 -7.958 1.00 0.00 H new ATOM 0 HG22 THR A 596 15.411 3.403 -7.082 1.00 0.00 H new ATOM 0 HG23 THR A 596 14.079 4.450 -6.537 1.00 0.00 H new ATOM 182 N GLN A 597 14.823 6.105 -3.328 1.00 0.00 N ATOM 183 CA GLN A 597 13.687 6.573 -2.550 1.00 0.00 C ATOM 184 C GLN A 597 12.441 6.605 -3.424 1.00 0.00 C ATOM 185 O GLN A 597 11.343 6.272 -2.975 1.00 0.00 O ATOM 186 CB GLN A 597 13.970 7.964 -1.972 1.00 0.00 C ATOM 187 CG GLN A 597 12.885 8.475 -1.035 1.00 0.00 C ATOM 188 CD GLN A 597 12.652 7.551 0.144 1.00 0.00 C ATOM 189 OE1 GLN A 597 11.724 6.623 -0.008 1.00 0.00 O flip ATOM 190 NE2 GLN A 597 13.301 7.670 1.184 1.00 0.00 N flip ATOM 0 H GLN A 597 15.575 6.788 -3.421 1.00 0.00 H new ATOM 0 HA GLN A 597 13.520 5.886 -1.721 1.00 0.00 H new ATOM 0 HB2 GLN A 597 14.918 7.937 -1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 597 14.089 8.671 -2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 597 13.162 9.463 -0.668 1.00 0.00 H new ATOM 0 HG3 GLN A 597 11.955 8.591 -1.591 1.00 0.00 H new ATOM 0 HE21 GLN A 597 14.009 8.400 1.262 1.00 0.00 H new ATOM 0 HE22 GLN A 597 13.130 7.039 1.967 1.00 0.00 H new ATOM 199 N ASP A 598 12.636 7.006 -4.675 1.00 0.00 N ATOM 200 CA ASP A 598 11.548 7.088 -5.645 1.00 0.00 C ATOM 201 C ASP A 598 10.862 5.733 -5.808 1.00 0.00 C ATOM 202 O ASP A 598 9.642 5.661 -5.897 1.00 0.00 O ATOM 203 CB ASP A 598 12.063 7.595 -6.994 1.00 0.00 C ATOM 204 CG ASP A 598 10.964 7.709 -8.033 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.074 8.574 -7.878 1.00 0.00 O ATOM 206 OD2 ASP A 598 11.000 6.953 -9.025 1.00 0.00 O ATOM 0 H ASP A 598 13.546 7.282 -5.045 1.00 0.00 H new ATOM 0 HA ASP A 598 10.813 7.799 -5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.531 8.570 -6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 598 12.836 6.919 -7.361 1.00 0.00 H new ATOM 211 N LEU A 599 11.655 4.662 -5.831 1.00 0.00 N ATOM 212 CA LEU A 599 11.120 3.309 -5.908 1.00 0.00 C ATOM 213 C LEU A 599 10.174 3.044 -4.739 1.00 0.00 C ATOM 214 O LEU A 599 9.085 2.497 -4.912 1.00 0.00 O ATOM 215 CB LEU A 599 12.261 2.281 -5.890 1.00 0.00 C ATOM 216 CG LEU A 599 11.864 0.880 -6.347 1.00 0.00 C ATOM 217 CD1 LEU A 599 11.387 0.925 -7.784 1.00 0.00 C ATOM 218 CD2 LEU A 599 13.026 -0.088 -6.197 1.00 0.00 C ATOM 0 H LEU A 599 12.673 4.709 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 599 10.568 3.212 -6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 599 13.067 2.642 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.660 2.219 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 599 11.050 0.524 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 599 11.105 -0.078 -8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.524 1.587 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 599 12.188 1.298 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.719 -1.080 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.865 0.254 -6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 599 13.329 -0.133 -5.151 1.00 0.00 H new ATOM 230 N ARG A 600 10.601 3.450 -3.551 1.00 0.00 N ATOM 231 CA ARG A 600 9.813 3.265 -2.339 1.00 0.00 C ATOM 232 C ARG A 600 8.509 4.057 -2.404 1.00 0.00 C ATOM 233 O ARG A 600 7.431 3.513 -2.172 1.00 0.00 O ATOM 234 CB ARG A 600 10.629 3.708 -1.121 1.00 0.00 C ATOM 235 CG ARG A 600 11.875 2.873 -0.878 1.00 0.00 C ATOM 236 CD ARG A 600 11.553 1.608 -0.103 1.00 0.00 C ATOM 237 NE ARG A 600 11.241 1.892 1.299 1.00 0.00 N ATOM 238 CZ ARG A 600 10.441 1.144 2.061 1.00 0.00 C ATOM 239 NH1 ARG A 600 9.774 0.120 1.538 1.00 0.00 N ATOM 240 NH2 ARG A 600 10.290 1.435 3.348 1.00 0.00 N ATOM 0 H ARG A 600 11.497 3.914 -3.400 1.00 0.00 H new ATOM 0 HA ARG A 600 9.565 2.207 -2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.921 4.750 -1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.995 3.663 -0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 600 12.330 2.610 -1.833 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.608 3.462 -0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 600 10.707 1.103 -0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.400 0.924 -0.155 1.00 0.00 H new ATOM 0 HE ARG A 600 11.664 2.718 1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 600 9.872 -0.099 0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 600 9.165 -0.446 2.128 1.00 0.00 H new ATOM 0 HH21 ARG A 600 10.785 2.230 3.753 1.00 0.00 H new ATOM 0 HH22 ARG A 600 9.679 0.864 3.932 1.00 0.00 H new ATOM 254 N SER A 601 8.613 5.339 -2.733 1.00 0.00 N ATOM 255 CA SER A 601 7.453 6.221 -2.786 1.00 0.00 C ATOM 256 C SER A 601 6.487 5.817 -3.903 1.00 0.00 C ATOM 257 O SER A 601 5.266 5.871 -3.728 1.00 0.00 O ATOM 258 CB SER A 601 7.907 7.676 -2.938 1.00 0.00 C ATOM 259 OG SER A 601 8.899 7.802 -3.944 1.00 0.00 O ATOM 0 H SER A 601 9.495 5.794 -2.969 1.00 0.00 H new ATOM 0 HA SER A 601 6.907 6.125 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 601 7.051 8.303 -3.188 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.301 8.038 -1.988 1.00 0.00 H new ATOM 0 HG SER A 601 8.924 6.984 -4.483 1.00 0.00 H new ATOM 265 N HIS A 602 7.040 5.421 -5.049 1.00 0.00 N ATOM 266 CA HIS A 602 6.233 5.015 -6.203 1.00 0.00 C ATOM 267 C HIS A 602 5.272 3.895 -5.815 1.00 0.00 C ATOM 268 O HIS A 602 4.073 3.966 -6.079 1.00 0.00 O ATOM 269 CB HIS A 602 7.135 4.537 -7.350 1.00 0.00 C ATOM 270 CG HIS A 602 6.442 4.456 -8.677 1.00 0.00 C ATOM 271 ND1 HIS A 602 6.405 5.504 -9.570 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.771 3.439 -9.267 1.00 0.00 C ATOM 273 CE1 HIS A 602 5.742 5.138 -10.649 1.00 0.00 C ATOM 274 NE2 HIS A 602 5.346 3.889 -10.492 1.00 0.00 N ATOM 0 H HIS A 602 8.047 5.372 -5.205 1.00 0.00 H new ATOM 0 HA HIS A 602 5.660 5.881 -6.535 1.00 0.00 H new ATOM 0 HB2 HIS A 602 7.985 5.214 -7.436 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.534 3.554 -7.099 1.00 0.00 H new ATOM 0 HD2 HIS A 602 5.602 2.457 -8.851 1.00 0.00 H new ATOM 0 HE1 HIS A 602 5.555 5.756 -11.515 1.00 0.00 H new ATOM 0 HE2 HIS A 602 4.811 3.347 -11.170 1.00 0.00 H new ATOM 283 N LEU A 603 5.815 2.874 -5.167 1.00 0.00 N ATOM 284 CA LEU A 603 5.038 1.715 -4.747 1.00 0.00 C ATOM 285 C LEU A 603 3.983 2.092 -3.711 1.00 0.00 C ATOM 286 O LEU A 603 2.879 1.547 -3.717 1.00 0.00 O ATOM 287 CB LEU A 603 5.961 0.616 -4.223 1.00 0.00 C ATOM 288 CG LEU A 603 7.018 0.150 -5.232 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.015 -0.790 -4.583 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.357 -0.526 -6.424 1.00 0.00 C ATOM 0 H LEU A 603 6.803 2.825 -4.918 1.00 0.00 H new ATOM 0 HA LEU A 603 4.508 1.331 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.465 0.977 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.356 -0.240 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 603 7.557 1.030 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 603 8.753 -1.104 -5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.518 -0.277 -3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.492 -1.665 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.122 -0.850 -7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 603 5.789 -1.391 -6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 603 5.686 0.178 -6.915 1.00 0.00 H new ATOM 302 N VAL A 604 4.319 3.028 -2.826 1.00 0.00 N ATOM 303 CA VAL A 604 3.384 3.463 -1.792 1.00 0.00 C ATOM 304 C VAL A 604 2.144 4.077 -2.434 1.00 0.00 C ATOM 305 O VAL A 604 1.016 3.807 -2.019 1.00 0.00 O ATOM 306 CB VAL A 604 4.028 4.488 -0.825 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.979 5.129 0.073 1.00 0.00 C ATOM 308 CG2 VAL A 604 5.092 3.818 0.024 1.00 0.00 C ATOM 0 H VAL A 604 5.225 3.497 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 604 3.105 2.583 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 604 4.490 5.270 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.460 5.844 0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.241 5.645 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.484 4.357 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.535 4.551 0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.640 3.016 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.866 3.405 -0.622 1.00 0.00 H new ATOM 318 N HIS A 605 2.360 4.878 -3.475 1.00 0.00 N ATOM 319 CA HIS A 605 1.255 5.504 -4.199 1.00 0.00 C ATOM 320 C HIS A 605 0.388 4.443 -4.857 1.00 0.00 C ATOM 321 O HIS A 605 -0.832 4.560 -4.878 1.00 0.00 O ATOM 322 CB HIS A 605 1.756 6.488 -5.263 1.00 0.00 C ATOM 323 CG HIS A 605 2.454 7.688 -4.701 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.525 8.294 -5.323 1.00 0.00 N ATOM 325 CD2 HIS A 605 2.220 8.406 -3.576 1.00 0.00 C ATOM 326 CE1 HIS A 605 3.919 9.329 -4.604 1.00 0.00 C ATOM 327 NE2 HIS A 605 3.143 9.417 -3.542 1.00 0.00 N ATOM 0 H HIS A 605 3.286 5.109 -3.835 1.00 0.00 H new ATOM 0 HA HIS A 605 0.665 6.062 -3.472 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.437 5.965 -5.935 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.909 6.821 -5.863 1.00 0.00 H new ATOM 0 HD2 HIS A 605 1.450 8.216 -2.843 1.00 0.00 H new ATOM 0 HE1 HIS A 605 4.738 9.991 -4.845 1.00 0.00 H new ATOM 0 HE2 HIS A 605 3.218 10.125 -2.812 1.00 0.00 H new ATOM 336 N LYS A 606 1.029 3.411 -5.396 1.00 0.00 N ATOM 337 CA LYS A 606 0.316 2.320 -6.049 1.00 0.00 C ATOM 338 C LYS A 606 -0.601 1.600 -5.065 1.00 0.00 C ATOM 339 O LYS A 606 -1.719 1.212 -5.412 1.00 0.00 O ATOM 340 CB LYS A 606 1.298 1.323 -6.670 1.00 0.00 C ATOM 341 CG LYS A 606 2.216 1.949 -7.705 1.00 0.00 C ATOM 342 CD LYS A 606 3.003 0.904 -8.478 1.00 0.00 C ATOM 343 CE LYS A 606 2.084 -0.002 -9.282 1.00 0.00 C ATOM 344 NZ LYS A 606 2.834 -0.821 -10.266 1.00 0.00 N ATOM 0 H LYS A 606 2.044 3.308 -5.393 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.295 2.752 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 606 1.903 0.879 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 606 0.737 0.513 -7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 606 1.625 2.545 -8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 606 2.908 2.631 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 606 3.706 1.398 -9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 606 3.592 0.304 -7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 606 1.538 -0.659 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 606 1.343 0.604 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 2.171 -1.424 -10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 3.334 -0.195 -10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 3.523 -1.418 -9.767 1.00 0.00 H new ATOM 358 N LEU A 607 -0.116 1.407 -3.844 1.00 0.00 N ATOM 359 CA LEU A 607 -0.911 0.780 -2.799 1.00 0.00 C ATOM 360 C LEU A 607 -2.103 1.670 -2.442 1.00 0.00 C ATOM 361 O LEU A 607 -3.222 1.186 -2.273 1.00 0.00 O ATOM 362 CB LEU A 607 -0.035 0.496 -1.572 1.00 0.00 C ATOM 363 CG LEU A 607 -0.568 -0.574 -0.614 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.554 -1.107 0.257 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.677 -0.018 0.258 1.00 0.00 C ATOM 0 H LEU A 607 0.824 1.676 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.300 -0.172 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.953 0.191 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 607 0.093 1.425 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 607 -0.975 -1.389 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 607 0.161 -1.866 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 607 1.326 -1.547 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 607 0.982 -0.291 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.038 -0.798 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.294 0.817 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.497 0.327 -0.372 1.00 0.00 H new ATOM 377 N VAL A 608 -1.859 2.975 -2.345 1.00 0.00 N ATOM 378 CA VAL A 608 -2.928 3.946 -2.116 1.00 0.00 C ATOM 379 C VAL A 608 -3.933 3.899 -3.267 1.00 0.00 C ATOM 380 O VAL A 608 -5.147 3.855 -3.054 1.00 0.00 O ATOM 381 CB VAL A 608 -2.359 5.378 -1.991 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.471 6.408 -1.860 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.410 5.471 -0.807 1.00 0.00 C ATOM 0 H VAL A 608 -0.928 3.386 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.426 3.685 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.806 5.597 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.036 7.404 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.111 6.366 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.063 6.193 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.018 6.486 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -1.945 5.221 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.585 4.773 -0.947 1.00 0.00 H new ATOM 393 N GLN A 609 -3.398 3.891 -4.482 1.00 0.00 N ATOM 394 CA GLN A 609 -4.188 3.794 -5.703 1.00 0.00 C ATOM 395 C GLN A 609 -5.080 2.553 -5.676 1.00 0.00 C ATOM 396 O GLN A 609 -6.227 2.585 -6.126 1.00 0.00 O ATOM 397 CB GLN A 609 -3.241 3.755 -6.910 1.00 0.00 C ATOM 398 CG GLN A 609 -3.935 3.670 -8.260 1.00 0.00 C ATOM 399 CD GLN A 609 -4.839 4.853 -8.549 1.00 0.00 C ATOM 400 OE1 GLN A 609 -5.831 4.719 -9.260 1.00 0.00 O ATOM 401 NE2 GLN A 609 -4.504 6.019 -8.015 1.00 0.00 N ATOM 0 H GLN A 609 -2.394 3.952 -4.649 1.00 0.00 H new ATOM 0 HA GLN A 609 -4.839 4.665 -5.781 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.616 4.648 -6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.575 2.898 -6.805 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -3.181 3.599 -9.044 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -4.524 2.754 -8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -3.672 6.091 -7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -5.078 6.844 -8.190 1.00 0.00 H new ATOM 410 N ALA A 610 -4.535 1.456 -5.156 1.00 0.00 N ATOM 411 CA ALA A 610 -5.278 0.213 -5.022 1.00 0.00 C ATOM 412 C ALA A 610 -6.509 0.389 -4.135 1.00 0.00 C ATOM 413 O ALA A 610 -7.576 -0.151 -4.434 1.00 0.00 O ATOM 414 CB ALA A 610 -4.377 -0.885 -4.476 1.00 0.00 C ATOM 0 H ALA A 610 -3.574 1.407 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.626 -0.078 -6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -4.947 -1.809 -4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.541 -1.042 -5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -3.997 -0.591 -3.498 1.00 0.00 H new ATOM 420 N ILE A 611 -6.364 1.150 -3.050 1.00 0.00 N ATOM 421 CA ILE A 611 -7.468 1.350 -2.112 1.00 0.00 C ATOM 422 C ILE A 611 -8.487 2.333 -2.692 1.00 0.00 C ATOM 423 O ILE A 611 -9.693 2.186 -2.480 1.00 0.00 O ATOM 424 CB ILE A 611 -6.981 1.898 -0.709 1.00 0.00 C ATOM 425 CG1 ILE A 611 -5.987 0.947 -0.002 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.159 2.200 0.221 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.071 1.653 0.976 1.00 0.00 C ATOM 0 H ILE A 611 -5.501 1.634 -2.801 1.00 0.00 H new ATOM 0 HA ILE A 611 -7.923 0.372 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.453 2.827 -0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -6.547 0.176 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.382 0.441 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.784 2.574 1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.800 2.953 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -8.733 1.289 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.400 0.927 1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.485 2.405 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.668 2.136 1.750 1.00 0.00 H new ATOM 439 N PHE A 612 -8.010 3.312 -3.451 1.00 0.00 N ATOM 440 CA PHE A 612 -8.861 4.401 -3.888 1.00 0.00 C ATOM 441 C PHE A 612 -8.294 5.039 -5.156 1.00 0.00 C ATOM 442 O PHE A 612 -7.350 5.826 -5.092 1.00 0.00 O ATOM 443 CB PHE A 612 -8.968 5.431 -2.759 1.00 0.00 C ATOM 444 CG PHE A 612 -10.124 6.377 -2.892 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.388 5.908 -3.208 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.948 7.735 -2.690 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.454 6.776 -3.322 1.00 0.00 C ATOM 448 CE2 PHE A 612 -11.012 8.609 -2.800 1.00 0.00 C ATOM 449 CZ PHE A 612 -12.265 8.129 -3.117 1.00 0.00 C ATOM 0 H PHE A 612 -7.044 3.370 -3.773 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.856 4.022 -4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -9.053 4.903 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -8.044 6.008 -2.721 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.541 4.851 -3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -8.968 8.116 -2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.435 6.398 -3.571 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -10.863 9.666 -2.638 1.00 0.00 H new ATOM 0 HZ PHE A 612 -13.098 8.810 -3.205 1.00 0.00 H new ATOM 459 N PRO A 613 -8.856 4.701 -6.331 1.00 0.00 N ATOM 460 CA PRO A 613 -8.300 5.149 -7.615 1.00 0.00 C ATOM 461 C PRO A 613 -8.626 6.608 -7.940 1.00 0.00 C ATOM 462 O PRO A 613 -7.811 7.306 -8.545 1.00 0.00 O ATOM 463 CB PRO A 613 -8.951 4.205 -8.634 1.00 0.00 C ATOM 464 CG PRO A 613 -10.233 3.756 -8.000 1.00 0.00 C ATOM 465 CD PRO A 613 -10.059 3.851 -6.500 1.00 0.00 C ATOM 0 HA PRO A 613 -7.211 5.113 -7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -9.138 4.716 -9.579 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -8.303 3.356 -8.853 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -11.063 4.381 -8.330 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -10.468 2.733 -8.294 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.933 4.297 -6.024 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.919 2.868 -6.051 1.00 0.00 H new ATOM 473 N THR A 614 -9.810 7.062 -7.543 1.00 0.00 N ATOM 474 CA THR A 614 -10.254 8.421 -7.849 1.00 0.00 C ATOM 475 C THR A 614 -9.600 9.453 -6.929 1.00 0.00 C ATOM 476 O THR A 614 -9.890 9.497 -5.732 1.00 0.00 O ATOM 477 CB THR A 614 -11.786 8.537 -7.722 1.00 0.00 C ATOM 478 OG1 THR A 614 -12.202 8.070 -6.431 1.00 0.00 O ATOM 479 CG2 THR A 614 -12.484 7.728 -8.807 1.00 0.00 C ATOM 0 H THR A 614 -10.481 6.510 -7.008 1.00 0.00 H new ATOM 0 HA THR A 614 -9.952 8.627 -8.876 1.00 0.00 H new ATOM 0 HB THR A 614 -12.062 9.585 -7.840 1.00 0.00 H new ATOM 0 HG1 THR A 614 -11.571 8.385 -5.750 1.00 0.00 H new ATOM 0 HG21 THR A 614 -13.564 7.826 -8.696 1.00 0.00 H new ATOM 0 HG22 THR A 614 -12.185 8.099 -9.787 1.00 0.00 H new ATOM 0 HG23 THR A 614 -12.204 6.679 -8.716 1.00 0.00 H new ATOM 487 N PRO A 615 -8.708 10.300 -7.470 1.00 0.00 N ATOM 488 CA PRO A 615 -8.058 11.366 -6.706 1.00 0.00 C ATOM 489 C PRO A 615 -8.950 12.600 -6.595 1.00 0.00 C ATOM 490 O PRO A 615 -8.668 13.641 -7.189 1.00 0.00 O ATOM 491 CB PRO A 615 -6.797 11.691 -7.531 1.00 0.00 C ATOM 492 CG PRO A 615 -6.803 10.720 -8.684 1.00 0.00 C ATOM 493 CD PRO A 615 -8.238 10.300 -8.858 1.00 0.00 C ATOM 0 HA PRO A 615 -7.839 11.063 -5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -6.816 12.721 -7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -5.895 11.578 -6.929 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -6.420 11.187 -9.591 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -6.166 9.860 -8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -8.798 10.997 -9.481 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.325 9.317 -9.322 1.00 0.00 H new ATOM 501 N ASP A 616 -10.026 12.469 -5.836 1.00 0.00 N ATOM 502 CA ASP A 616 -10.984 13.563 -5.645 1.00 0.00 C ATOM 503 C ASP A 616 -10.316 14.730 -4.918 1.00 0.00 C ATOM 504 O ASP A 616 -9.686 14.537 -3.881 1.00 0.00 O ATOM 505 CB ASP A 616 -12.198 13.073 -4.834 1.00 0.00 C ATOM 506 CG ASP A 616 -13.192 14.181 -4.564 1.00 0.00 C ATOM 507 OD1 ASP A 616 -14.032 14.462 -5.439 1.00 0.00 O ATOM 508 OD2 ASP A 616 -13.135 14.778 -3.471 1.00 0.00 O ATOM 0 H ASP A 616 -10.265 11.613 -5.336 1.00 0.00 H new ATOM 0 HA ASP A 616 -11.323 13.901 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -12.693 12.267 -5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -11.855 12.656 -3.887 1.00 0.00 H new ATOM 513 N PRO A 617 -10.434 15.959 -5.472 1.00 0.00 N ATOM 514 CA PRO A 617 -9.774 17.157 -4.925 1.00 0.00 C ATOM 515 C PRO A 617 -10.141 17.453 -3.471 1.00 0.00 C ATOM 516 O PRO A 617 -9.352 18.052 -2.741 1.00 0.00 O ATOM 517 CB PRO A 617 -10.260 18.303 -5.834 1.00 0.00 C ATOM 518 CG PRO A 617 -11.435 17.757 -6.568 1.00 0.00 C ATOM 519 CD PRO A 617 -11.195 16.278 -6.693 1.00 0.00 C ATOM 0 HA PRO A 617 -8.692 17.023 -4.914 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -10.536 19.179 -5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -9.477 18.616 -6.524 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -12.360 17.958 -6.028 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -11.532 18.221 -7.550 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -12.130 15.721 -6.742 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -10.632 16.036 -7.594 1.00 0.00 H new ATOM 527 N ALA A 618 -11.333 17.048 -3.051 1.00 0.00 N ATOM 528 CA ALA A 618 -11.754 17.251 -1.673 1.00 0.00 C ATOM 529 C ALA A 618 -11.231 16.125 -0.795 1.00 0.00 C ATOM 530 O ALA A 618 -10.622 16.369 0.246 1.00 0.00 O ATOM 531 CB ALA A 618 -13.270 17.347 -1.579 1.00 0.00 C ATOM 0 H ALA A 618 -12.021 16.580 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 618 -11.336 18.193 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -13.561 17.499 -0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -13.619 18.187 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -13.717 16.425 -1.950 1.00 0.00 H new ATOM 537 N ALA A 619 -11.460 14.892 -1.237 1.00 0.00 N ATOM 538 CA ALA A 619 -10.962 13.705 -0.543 1.00 0.00 C ATOM 539 C ALA A 619 -9.443 13.745 -0.384 1.00 0.00 C ATOM 540 O ALA A 619 -8.891 13.189 0.563 1.00 0.00 O ATOM 541 CB ALA A 619 -11.379 12.446 -1.291 1.00 0.00 C ATOM 0 H ALA A 619 -11.993 14.686 -2.082 1.00 0.00 H new ATOM 0 HA ALA A 619 -11.402 13.692 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -11.003 11.569 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -12.467 12.398 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -10.967 12.469 -2.300 1.00 0.00 H new ATOM 547 N LEU A 620 -8.779 14.425 -1.309 1.00 0.00 N ATOM 548 CA LEU A 620 -7.325 14.541 -1.296 1.00 0.00 C ATOM 549 C LEU A 620 -6.871 15.310 -0.054 1.00 0.00 C ATOM 550 O LEU A 620 -5.783 15.076 0.477 1.00 0.00 O ATOM 551 CB LEU A 620 -6.844 15.254 -2.565 1.00 0.00 C ATOM 552 CG LEU A 620 -5.638 14.621 -3.280 1.00 0.00 C ATOM 553 CD1 LEU A 620 -4.410 14.597 -2.383 1.00 0.00 C ATOM 554 CD2 LEU A 620 -5.972 13.215 -3.762 1.00 0.00 C ATOM 0 H LEU A 620 -9.229 14.910 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 620 -6.890 13.542 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -7.675 15.300 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -6.589 16.281 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 620 -5.408 15.240 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -3.576 14.143 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -4.147 15.616 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.625 14.014 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -5.105 12.787 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -6.241 12.592 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -6.810 13.258 -4.458 1.00 0.00 H new ATOM 566 N LYS A 621 -7.718 16.220 0.408 1.00 0.00 N ATOM 567 CA LYS A 621 -7.420 17.011 1.596 1.00 0.00 C ATOM 568 C LYS A 621 -8.257 16.541 2.783 1.00 0.00 C ATOM 569 O LYS A 621 -8.397 17.248 3.780 1.00 0.00 O ATOM 570 CB LYS A 621 -7.666 18.499 1.334 1.00 0.00 C ATOM 571 CG LYS A 621 -6.770 19.081 0.253 1.00 0.00 C ATOM 572 CD LYS A 621 -6.948 20.585 0.120 1.00 0.00 C ATOM 573 CE LYS A 621 -6.459 21.329 1.355 1.00 0.00 C ATOM 574 NZ LYS A 621 -5.013 21.086 1.615 1.00 0.00 N ATOM 0 H LYS A 621 -8.619 16.430 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 621 -6.366 16.871 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -8.708 18.642 1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -7.512 19.053 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -5.729 18.858 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -6.994 18.603 -0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -6.403 20.938 -0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -8.001 20.812 -0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -6.630 22.398 1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -7.041 21.016 2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -4.655 21.801 2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -4.888 20.138 2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -4.484 21.149 0.722 1.00 0.00 H new ATOM 588 N ASP A 622 -8.817 15.348 2.662 1.00 0.00 N ATOM 589 CA ASP A 622 -9.628 14.768 3.725 1.00 0.00 C ATOM 590 C ASP A 622 -8.762 13.883 4.615 1.00 0.00 C ATOM 591 O ASP A 622 -8.026 13.021 4.134 1.00 0.00 O ATOM 592 CB ASP A 622 -10.787 13.959 3.127 1.00 0.00 C ATOM 593 CG ASP A 622 -11.620 13.248 4.177 1.00 0.00 C ATOM 594 OD1 ASP A 622 -11.946 13.869 5.212 1.00 0.00 O ATOM 595 OD2 ASP A 622 -11.959 12.063 3.967 1.00 0.00 O ATOM 0 H ASP A 622 -8.725 14.759 1.835 1.00 0.00 H new ATOM 0 HA ASP A 622 -10.046 15.572 4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -11.430 14.626 2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -10.387 13.223 2.430 1.00 0.00 H new ATOM 600 N ARG A 623 -8.862 14.122 5.922 1.00 0.00 N ATOM 601 CA ARG A 623 -8.066 13.418 6.924 1.00 0.00 C ATOM 602 C ARG A 623 -8.232 11.903 6.821 1.00 0.00 C ATOM 603 O ARG A 623 -7.282 11.157 7.055 1.00 0.00 O ATOM 604 CB ARG A 623 -8.411 13.909 8.337 1.00 0.00 C ATOM 605 CG ARG A 623 -8.079 15.382 8.588 1.00 0.00 C ATOM 606 CD ARG A 623 -6.627 15.704 8.268 1.00 0.00 C ATOM 607 NE ARG A 623 -6.344 17.133 8.406 1.00 0.00 N ATOM 608 CZ ARG A 623 -5.262 17.733 7.911 1.00 0.00 C ATOM 609 NH1 ARG A 623 -4.342 17.031 7.259 1.00 0.00 N ATOM 610 NH2 ARG A 623 -5.103 19.040 8.072 1.00 0.00 N ATOM 0 H ARG A 623 -9.501 14.813 6.316 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.019 13.644 6.725 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -9.475 13.753 8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -7.874 13.298 9.063 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -8.731 16.009 7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -8.283 15.627 9.630 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -5.974 15.138 8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -6.400 15.385 7.251 1.00 0.00 H new ATOM 0 HE ARG A 623 -7.018 17.706 8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -4.461 16.026 7.134 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -3.516 17.497 6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -5.807 19.582 8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -4.276 19.503 7.695 1.00 0.00 H new ATOM 624 N ARG A 624 -9.444 11.452 6.503 1.00 0.00 N ATOM 625 CA ARG A 624 -9.718 10.032 6.304 1.00 0.00 C ATOM 626 C ARG A 624 -8.769 9.416 5.272 1.00 0.00 C ATOM 627 O ARG A 624 -8.280 8.299 5.464 1.00 0.00 O ATOM 628 CB ARG A 624 -11.170 9.854 5.858 1.00 0.00 C ATOM 629 CG ARG A 624 -11.498 8.472 5.323 1.00 0.00 C ATOM 630 CD ARG A 624 -12.890 8.435 4.718 1.00 0.00 C ATOM 631 NE ARG A 624 -13.076 9.488 3.719 1.00 0.00 N ATOM 632 CZ ARG A 624 -13.965 9.439 2.729 1.00 0.00 C ATOM 633 NH1 ARG A 624 -14.736 8.370 2.560 1.00 0.00 N ATOM 634 NH2 ARG A 624 -14.082 10.467 1.903 1.00 0.00 N ATOM 0 H ARG A 624 -10.257 12.055 6.377 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.556 9.514 7.249 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -11.825 10.068 6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.393 10.591 5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -10.763 8.187 4.570 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -11.429 7.741 6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.060 7.462 4.257 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.633 8.548 5.508 1.00 0.00 H new ATOM 0 HE ARG A 624 -12.484 10.316 3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.651 7.574 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -15.413 8.345 1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -13.493 11.290 2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -14.761 10.436 1.143 1.00 0.00 H new ATOM 648 N MET A 625 -8.495 10.142 4.190 1.00 0.00 N ATOM 649 CA MET A 625 -7.573 9.650 3.171 1.00 0.00 C ATOM 650 C MET A 625 -6.173 9.491 3.753 1.00 0.00 C ATOM 651 O MET A 625 -5.475 8.525 3.448 1.00 0.00 O ATOM 652 CB MET A 625 -7.547 10.543 1.915 1.00 0.00 C ATOM 653 CG MET A 625 -6.435 10.161 0.933 1.00 0.00 C ATOM 654 SD MET A 625 -6.422 11.168 -0.565 1.00 0.00 S ATOM 655 CE MET A 625 -7.934 10.620 -1.354 1.00 0.00 C ATOM 0 H MET A 625 -8.893 11.061 3.998 1.00 0.00 H new ATOM 0 HA MET A 625 -7.938 8.674 2.852 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.510 10.477 1.409 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.416 11.582 2.217 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.471 10.255 1.433 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.550 9.113 0.656 1.00 0.00 H new ATOM 0 HE1 MET A 625 -7.962 10.986 -2.380 1.00 0.00 H new ATOM 0 HE2 MET A 625 -7.969 9.531 -1.356 1.00 0.00 H new ATOM 0 HE3 MET A 625 -8.792 11.010 -0.807 1.00 0.00 H new ATOM 665 N GLU A 626 -5.778 10.426 4.616 1.00 0.00 N ATOM 666 CA GLU A 626 -4.466 10.387 5.244 1.00 0.00 C ATOM 667 C GLU A 626 -4.263 9.071 5.981 1.00 0.00 C ATOM 668 O GLU A 626 -3.169 8.504 5.963 1.00 0.00 O ATOM 669 CB GLU A 626 -4.303 11.559 6.213 1.00 0.00 C ATOM 670 CG GLU A 626 -4.260 12.912 5.527 1.00 0.00 C ATOM 671 CD GLU A 626 -3.084 13.035 4.583 1.00 0.00 C ATOM 672 OE1 GLU A 626 -1.935 13.025 5.066 1.00 0.00 O ATOM 673 OE2 GLU A 626 -3.299 13.136 3.357 1.00 0.00 O ATOM 0 H GLU A 626 -6.353 11.221 4.894 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.712 10.469 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.128 11.548 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -3.386 11.422 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -5.186 13.067 4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -4.203 13.698 6.280 1.00 0.00 H new ATOM 680 N ASN A 627 -5.325 8.594 6.625 1.00 0.00 N ATOM 681 CA ASN A 627 -5.277 7.339 7.374 1.00 0.00 C ATOM 682 C ASN A 627 -4.989 6.159 6.453 1.00 0.00 C ATOM 683 O ASN A 627 -4.157 5.308 6.767 1.00 0.00 O ATOM 684 CB ASN A 627 -6.594 7.091 8.120 1.00 0.00 C ATOM 685 CG ASN A 627 -6.781 7.981 9.339 1.00 0.00 C ATOM 686 OD1 ASN A 627 -6.306 9.215 9.272 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -7.362 7.560 10.338 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.233 9.059 6.644 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.468 7.428 8.099 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.426 7.250 7.434 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.634 6.048 8.433 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -7.716 6.604 10.357 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -7.490 8.167 11.147 1.00 0.00 H new ATOM 694 N LEU A 628 -5.685 6.101 5.321 1.00 0.00 N ATOM 695 CA LEU A 628 -5.478 5.010 4.363 1.00 0.00 C ATOM 696 C LEU A 628 -4.074 5.089 3.768 1.00 0.00 C ATOM 697 O LEU A 628 -3.426 4.063 3.560 1.00 0.00 O ATOM 698 CB LEU A 628 -6.588 4.971 3.267 1.00 0.00 C ATOM 699 CG LEU A 628 -6.463 5.914 2.057 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.559 5.320 0.987 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.842 6.184 1.473 1.00 0.00 C ATOM 0 H LEU A 628 -6.389 6.785 5.043 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.560 4.066 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.642 3.951 2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.541 5.181 3.753 1.00 0.00 H new ATOM 0 HG LEU A 628 -6.018 6.849 2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -5.490 6.009 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.565 5.154 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.973 4.371 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.750 6.852 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -8.292 5.244 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -8.473 6.650 2.230 1.00 0.00 H new ATOM 713 N VAL A 629 -3.599 6.305 3.507 1.00 0.00 N ATOM 714 CA VAL A 629 -2.248 6.499 2.988 1.00 0.00 C ATOM 715 C VAL A 629 -1.222 6.032 4.016 1.00 0.00 C ATOM 716 O VAL A 629 -0.211 5.412 3.673 1.00 0.00 O ATOM 717 CB VAL A 629 -1.972 7.976 2.626 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.553 8.146 2.100 1.00 0.00 C ATOM 719 CG2 VAL A 629 -2.981 8.479 1.607 1.00 0.00 C ATOM 0 H VAL A 629 -4.127 7.167 3.646 1.00 0.00 H new ATOM 0 HA VAL A 629 -2.163 5.907 2.077 1.00 0.00 H new ATOM 0 HB VAL A 629 -2.076 8.571 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.380 9.193 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.158 7.832 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.420 7.534 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.767 9.521 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.914 7.877 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -3.986 8.401 2.021 1.00 0.00 H new ATOM 729 N ALA A 630 -1.496 6.336 5.280 1.00 0.00 N ATOM 730 CA ALA A 630 -0.633 5.930 6.378 1.00 0.00 C ATOM 731 C ALA A 630 -0.485 4.409 6.437 1.00 0.00 C ATOM 732 O ALA A 630 0.599 3.903 6.716 1.00 0.00 O ATOM 733 CB ALA A 630 -1.148 6.486 7.699 1.00 0.00 C ATOM 0 H ALA A 630 -2.317 6.867 5.569 1.00 0.00 H new ATOM 0 HA ALA A 630 0.358 6.346 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.489 6.171 8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.170 7.575 7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.154 6.111 7.884 1.00 0.00 H new ATOM 739 N TYR A 631 -1.572 3.681 6.179 1.00 0.00 N ATOM 740 CA TYR A 631 -1.516 2.218 6.152 1.00 0.00 C ATOM 741 C TYR A 631 -0.498 1.735 5.110 1.00 0.00 C ATOM 742 O TYR A 631 0.250 0.787 5.359 1.00 0.00 O ATOM 743 CB TYR A 631 -2.898 1.606 5.872 1.00 0.00 C ATOM 744 CG TYR A 631 -2.899 0.091 5.862 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.671 -0.630 7.029 1.00 0.00 C ATOM 746 CD2 TYR A 631 -3.127 -0.617 4.690 1.00 0.00 C ATOM 747 CE1 TYR A 631 -2.670 -2.013 7.024 1.00 0.00 C ATOM 748 CE2 TYR A 631 -3.129 -1.996 4.678 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.898 -2.691 5.844 1.00 0.00 C ATOM 750 OH TYR A 631 -2.902 -4.068 5.829 1.00 0.00 O ATOM 0 H TYR A 631 -2.493 4.075 5.987 1.00 0.00 H new ATOM 0 HA TYR A 631 -1.195 1.883 7.138 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.601 1.957 6.627 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.258 1.968 4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -2.492 -0.102 7.954 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.306 -0.078 3.771 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -2.492 -2.559 7.938 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.311 -2.529 3.757 1.00 0.00 H new ATOM 0 HH TYR A 631 -3.766 -4.396 6.156 1.00 0.00 H new ATOM 760 N ALA A 632 -0.465 2.400 3.954 1.00 0.00 N ATOM 761 CA ALA A 632 0.502 2.074 2.907 1.00 0.00 C ATOM 762 C ALA A 632 1.924 2.294 3.414 1.00 0.00 C ATOM 763 O ALA A 632 2.810 1.470 3.190 1.00 0.00 O ATOM 764 CB ALA A 632 0.245 2.908 1.657 1.00 0.00 C ATOM 0 H ALA A 632 -1.096 3.166 3.720 1.00 0.00 H new ATOM 0 HA ALA A 632 0.385 1.023 2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.976 2.650 0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.759 2.705 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.334 3.967 1.901 1.00 0.00 H new ATOM 770 N LYS A 633 2.127 3.418 4.092 1.00 0.00 N ATOM 771 CA LYS A 633 3.383 3.723 4.758 1.00 0.00 C ATOM 772 C LYS A 633 3.806 2.610 5.710 1.00 0.00 C ATOM 773 O LYS A 633 4.944 2.147 5.682 1.00 0.00 O ATOM 774 CB LYS A 633 3.194 4.992 5.574 1.00 0.00 C ATOM 775 CG LYS A 633 2.818 6.226 4.767 1.00 0.00 C ATOM 776 CD LYS A 633 3.728 6.432 3.573 1.00 0.00 C ATOM 777 CE LYS A 633 3.378 7.701 2.813 1.00 0.00 C ATOM 778 NZ LYS A 633 3.537 8.920 3.650 1.00 0.00 N ATOM 0 H LYS A 633 1.420 4.146 4.194 1.00 0.00 H new ATOM 0 HA LYS A 633 4.154 3.837 3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.419 4.814 6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.117 5.198 6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 633 1.788 6.133 4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 633 2.862 7.105 5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.764 6.483 3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.651 5.574 2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 633 4.015 7.782 1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 633 2.349 7.638 2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 3.538 9.762 3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 2.748 8.983 4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 4.436 8.869 4.171 1.00 0.00 H new ATOM 792 N LYS A 634 2.887 2.206 6.568 1.00 0.00 N ATOM 793 CA LYS A 634 3.140 1.106 7.497 1.00 0.00 C ATOM 794 C LYS A 634 3.571 -0.148 6.739 1.00 0.00 C ATOM 795 O LYS A 634 4.548 -0.803 7.114 1.00 0.00 O ATOM 796 CB LYS A 634 1.901 0.799 8.350 1.00 0.00 C ATOM 797 CG LYS A 634 1.827 1.545 9.684 1.00 0.00 C ATOM 798 CD LYS A 634 1.407 3.004 9.533 1.00 0.00 C ATOM 799 CE LYS A 634 2.576 3.918 9.191 1.00 0.00 C ATOM 800 NZ LYS A 634 3.576 3.990 10.288 1.00 0.00 N ATOM 0 H LYS A 634 1.958 2.619 6.645 1.00 0.00 H new ATOM 0 HA LYS A 634 3.946 1.416 8.162 1.00 0.00 H new ATOM 0 HB2 LYS A 634 1.011 1.038 7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 634 1.873 -0.272 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 634 1.120 1.036 10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 634 2.801 1.502 10.172 1.00 0.00 H new ATOM 0 HD2 LYS A 634 0.650 3.081 8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 634 0.945 3.343 10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 634 3.061 3.559 8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 634 2.201 4.919 8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 4.132 4.864 10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 3.086 3.989 11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 4.211 3.168 10.234 1.00 0.00 H new ATOM 814 N VAL A 635 2.833 -0.476 5.682 1.00 0.00 N ATOM 815 CA VAL A 635 3.186 -1.594 4.811 1.00 0.00 C ATOM 816 C VAL A 635 4.606 -1.454 4.260 1.00 0.00 C ATOM 817 O VAL A 635 5.397 -2.395 4.346 1.00 0.00 O ATOM 818 CB VAL A 635 2.186 -1.755 3.640 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.770 -2.623 2.533 1.00 0.00 C ATOM 820 CG2 VAL A 635 0.884 -2.365 4.133 1.00 0.00 C ATOM 0 H VAL A 635 1.984 0.018 5.407 1.00 0.00 H new ATOM 0 HA VAL A 635 3.137 -2.490 5.430 1.00 0.00 H new ATOM 0 HB VAL A 635 1.988 -0.763 3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 635 2.045 -2.718 1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.681 -2.162 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 635 3.002 -3.611 2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.192 -2.471 3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 635 1.083 -3.345 4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.442 -1.717 4.890 1.00 0.00 H new ATOM 830 N GLU A 636 4.935 -0.283 3.710 1.00 0.00 N ATOM 831 CA GLU A 636 6.261 -0.061 3.129 1.00 0.00 C ATOM 832 C GLU A 636 7.350 -0.339 4.166 1.00 0.00 C ATOM 833 O GLU A 636 8.393 -0.913 3.843 1.00 0.00 O ATOM 834 CB GLU A 636 6.409 1.371 2.562 1.00 0.00 C ATOM 835 CG GLU A 636 6.981 2.389 3.546 1.00 0.00 C ATOM 836 CD GLU A 636 7.206 3.761 2.945 1.00 0.00 C ATOM 837 OE1 GLU A 636 8.278 3.983 2.337 1.00 0.00 O ATOM 838 OE2 GLU A 636 6.338 4.641 3.116 1.00 0.00 O ATOM 0 H GLU A 636 4.308 0.520 3.655 1.00 0.00 H new ATOM 0 HA GLU A 636 6.376 -0.756 2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 636 7.052 1.335 1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.431 1.718 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 636 6.303 2.481 4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 636 7.928 2.013 3.934 1.00 0.00 H new ATOM 845 N GLY A 637 7.108 0.087 5.402 1.00 0.00 N ATOM 846 CA GLY A 637 8.048 -0.164 6.480 1.00 0.00 C ATOM 847 C GLY A 637 8.166 -1.633 6.834 1.00 0.00 C ATOM 848 O GLY A 637 9.269 -2.170 6.900 1.00 0.00 O ATOM 0 H GLY A 637 6.273 0.604 5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 637 9.029 0.215 6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.736 0.393 7.364 1.00 0.00 H new ATOM 852 N ASP A 638 7.028 -2.285 7.050 1.00 0.00 N ATOM 853 CA ASP A 638 7.007 -3.689 7.467 1.00 0.00 C ATOM 854 C ASP A 638 7.638 -4.586 6.406 1.00 0.00 C ATOM 855 O ASP A 638 8.488 -5.425 6.712 1.00 0.00 O ATOM 856 CB ASP A 638 5.566 -4.131 7.748 1.00 0.00 C ATOM 857 CG ASP A 638 5.475 -5.549 8.282 1.00 0.00 C ATOM 858 OD1 ASP A 638 5.367 -6.494 7.470 1.00 0.00 O ATOM 859 OD2 ASP A 638 5.499 -5.722 9.520 1.00 0.00 O ATOM 0 H ASP A 638 6.104 -1.865 6.944 1.00 0.00 H new ATOM 0 HA ASP A 638 7.594 -3.783 8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 638 5.116 -3.448 8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 638 4.983 -4.056 6.830 1.00 0.00 H new ATOM 864 N MET A 639 7.226 -4.387 5.158 1.00 0.00 N ATOM 865 CA MET A 639 7.767 -5.149 4.028 1.00 0.00 C ATOM 866 C MET A 639 9.272 -4.955 3.920 1.00 0.00 C ATOM 867 O MET A 639 9.993 -5.879 3.574 1.00 0.00 O ATOM 868 CB MET A 639 7.119 -4.739 2.690 1.00 0.00 C ATOM 869 CG MET A 639 5.602 -4.891 2.641 1.00 0.00 C ATOM 870 SD MET A 639 5.067 -6.596 2.852 1.00 0.00 S ATOM 871 CE MET A 639 3.333 -6.446 2.439 1.00 0.00 C ATOM 0 H MET A 639 6.516 -3.702 4.899 1.00 0.00 H new ATOM 0 HA MET A 639 7.537 -6.197 4.221 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.373 -3.699 2.483 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.556 -5.339 1.892 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.154 -4.275 3.421 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.234 -4.515 1.687 1.00 0.00 H new ATOM 0 HE1 MET A 639 2.980 -7.382 2.006 1.00 0.00 H new ATOM 0 HE2 MET A 639 2.762 -6.225 3.341 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.199 -5.640 1.718 1.00 0.00 H new ATOM 881 N TYR A 640 9.718 -3.736 4.213 1.00 0.00 N ATOM 882 CA TYR A 640 11.107 -3.317 3.974 1.00 0.00 C ATOM 883 C TYR A 640 12.129 -4.306 4.550 1.00 0.00 C ATOM 884 O TYR A 640 13.197 -4.495 3.967 1.00 0.00 O ATOM 885 CB TYR A 640 11.377 -1.902 4.509 1.00 0.00 C ATOM 886 CG TYR A 640 12.594 -1.251 3.888 1.00 0.00 C ATOM 887 CD1 TYR A 640 12.826 -1.352 2.521 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.509 -0.538 4.656 1.00 0.00 C ATOM 889 CE1 TYR A 640 13.927 -0.768 1.939 1.00 0.00 C ATOM 890 CE2 TYR A 640 14.617 0.051 4.075 1.00 0.00 C ATOM 891 CZ TYR A 640 14.818 -0.068 2.717 1.00 0.00 C ATOM 892 OH TYR A 640 15.917 0.513 2.132 1.00 0.00 O ATOM 0 H TYR A 640 9.132 -3.008 4.622 1.00 0.00 H new ATOM 0 HA TYR A 640 11.233 -3.306 2.891 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.504 -1.277 4.322 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.510 -1.949 5.590 1.00 0.00 H new ATOM 0 HD1 TYR A 640 12.129 -1.899 1.904 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.352 -0.443 5.720 1.00 0.00 H new ATOM 0 HE1 TYR A 640 14.091 -0.859 0.875 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.321 0.601 4.682 1.00 0.00 H new ATOM 0 HH TYR A 640 15.624 1.161 1.458 1.00 0.00 H new ATOM 902 N GLU A 641 11.827 -4.916 5.689 1.00 0.00 N ATOM 903 CA GLU A 641 12.753 -5.897 6.275 1.00 0.00 C ATOM 904 C GLU A 641 12.896 -7.115 5.357 1.00 0.00 C ATOM 905 O GLU A 641 14.008 -7.531 5.029 1.00 0.00 O ATOM 906 CB GLU A 641 12.308 -6.331 7.678 1.00 0.00 C ATOM 907 CG GLU A 641 12.767 -5.364 8.793 1.00 0.00 C ATOM 908 CD GLU A 641 12.122 -3.998 8.684 1.00 0.00 C ATOM 909 OE1 GLU A 641 12.699 -3.117 8.010 1.00 0.00 O ATOM 910 OE2 GLU A 641 11.044 -3.797 9.284 1.00 0.00 O ATOM 0 H GLU A 641 10.971 -4.760 6.221 1.00 0.00 H new ATOM 0 HA GLU A 641 13.725 -5.414 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 641 11.221 -6.408 7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.702 -7.326 7.885 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.529 -5.797 9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 641 13.851 -5.254 8.750 1.00 0.00 H new ATOM 917 N SER A 642 11.766 -7.672 4.945 1.00 0.00 N ATOM 918 CA SER A 642 11.739 -8.776 3.988 1.00 0.00 C ATOM 919 C SER A 642 12.264 -8.334 2.617 1.00 0.00 C ATOM 920 O SER A 642 12.940 -9.092 1.918 1.00 0.00 O ATOM 921 CB SER A 642 10.318 -9.319 3.865 1.00 0.00 C ATOM 922 OG SER A 642 9.784 -9.633 5.141 1.00 0.00 O ATOM 0 H SER A 642 10.843 -7.375 5.262 1.00 0.00 H new ATOM 0 HA SER A 642 12.394 -9.566 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.684 -8.582 3.372 1.00 0.00 H new ATOM 0 HB3 SER A 642 10.318 -10.210 3.237 1.00 0.00 H new ATOM 0 HG SER A 642 8.872 -9.978 5.038 1.00 0.00 H new ATOM 928 N ALA A 643 11.907 -7.105 2.246 1.00 0.00 N ATOM 929 CA ALA A 643 12.286 -6.459 0.979 1.00 0.00 C ATOM 930 C ALA A 643 13.796 -6.322 0.763 1.00 0.00 C ATOM 931 O ALA A 643 14.233 -5.493 -0.033 1.00 0.00 O ATOM 932 CB ALA A 643 11.653 -5.087 0.902 1.00 0.00 C ATOM 0 H ALA A 643 11.327 -6.508 2.835 1.00 0.00 H new ATOM 0 HA ALA A 643 11.920 -7.116 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 643 11.934 -4.609 -0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 643 10.568 -5.184 0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.000 -4.479 1.737 1.00 0.00 H new ATOM 938 N ASN A 644 14.586 -7.121 1.455 1.00 0.00 N ATOM 939 CA ASN A 644 16.035 -6.989 1.390 1.00 0.00 C ATOM 940 C ASN A 644 16.549 -7.556 0.067 1.00 0.00 C ATOM 941 O ASN A 644 17.753 -7.611 -0.183 1.00 0.00 O ATOM 942 CB ASN A 644 16.711 -7.718 2.560 1.00 0.00 C ATOM 943 CG ASN A 644 18.077 -7.125 2.887 1.00 0.00 C ATOM 944 OD1 ASN A 644 19.020 -7.849 3.206 1.00 0.00 O ATOM 945 ND2 ASN A 644 18.185 -5.797 2.839 1.00 0.00 N ATOM 0 H ASN A 644 14.254 -7.866 2.067 1.00 0.00 H new ATOM 0 HA ASN A 644 16.282 -5.929 1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 644 16.071 -7.662 3.441 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.823 -8.774 2.314 1.00 0.00 H new ATOM 0 HD21 ASN A 644 19.071 -5.349 3.071 1.00 0.00 H new ATOM 0 HD22 ASN A 644 17.381 -5.229 2.570 1.00 0.00 H new ATOM 952 N SER A 645 15.623 -7.992 -0.775 1.00 0.00 N ATOM 953 CA SER A 645 15.957 -8.516 -2.082 1.00 0.00 C ATOM 954 C SER A 645 14.926 -8.056 -3.114 1.00 0.00 C ATOM 955 O SER A 645 13.730 -8.015 -2.814 1.00 0.00 O ATOM 956 CB SER A 645 16.040 -10.040 -2.027 1.00 0.00 C ATOM 957 OG SER A 645 16.987 -10.454 -1.053 1.00 0.00 O ATOM 0 H SER A 645 14.624 -7.991 -0.568 1.00 0.00 H new ATOM 0 HA SER A 645 16.931 -8.132 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 645 15.060 -10.455 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 645 16.322 -10.430 -3.005 1.00 0.00 H new ATOM 0 HG SER A 645 17.026 -11.433 -1.030 1.00 0.00 H new ATOM 963 N ARG A 646 15.390 -7.698 -4.306 1.00 0.00 N ATOM 964 CA ARG A 646 14.552 -7.016 -5.297 1.00 0.00 C ATOM 965 C ARG A 646 13.272 -7.795 -5.601 1.00 0.00 C ATOM 966 O ARG A 646 12.169 -7.244 -5.528 1.00 0.00 O ATOM 967 CB ARG A 646 15.342 -6.808 -6.593 1.00 0.00 C ATOM 968 CG ARG A 646 16.574 -5.926 -6.441 1.00 0.00 C ATOM 969 CD ARG A 646 16.204 -4.476 -6.167 1.00 0.00 C ATOM 970 NE ARG A 646 15.371 -3.915 -7.231 1.00 0.00 N ATOM 971 CZ ARG A 646 15.390 -2.637 -7.612 1.00 0.00 C ATOM 972 NH1 ARG A 646 16.229 -1.774 -7.042 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.577 -2.227 -8.577 1.00 0.00 N ATOM 0 H ARG A 646 16.347 -7.868 -4.615 1.00 0.00 H new ATOM 0 HA ARG A 646 14.265 -6.053 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.651 -7.780 -6.977 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.683 -6.366 -7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 646 17.192 -6.303 -5.626 1.00 0.00 H new ATOM 0 HG3 ARG A 646 17.175 -5.982 -7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.673 -4.410 -5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 646 17.113 -3.882 -6.066 1.00 0.00 H new ATOM 0 HE ARG A 646 14.731 -4.545 -7.715 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.864 -2.089 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 646 16.237 -0.798 -7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 646 13.941 -2.888 -9.024 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.587 -1.251 -8.872 1.00 0.00 H new ATOM 987 N ASP A 647 13.428 -9.079 -5.903 1.00 0.00 N ATOM 988 CA ASP A 647 12.297 -9.923 -6.288 1.00 0.00 C ATOM 989 C ASP A 647 11.278 -10.033 -5.163 1.00 0.00 C ATOM 990 O ASP A 647 10.069 -9.961 -5.398 1.00 0.00 O ATOM 991 CB ASP A 647 12.777 -11.321 -6.688 1.00 0.00 C ATOM 992 CG ASP A 647 11.645 -12.202 -7.176 1.00 0.00 C ATOM 993 OD1 ASP A 647 11.308 -12.136 -8.381 1.00 0.00 O ATOM 994 OD2 ASP A 647 11.082 -12.966 -6.363 1.00 0.00 O ATOM 0 H ASP A 647 14.327 -9.561 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 647 11.815 -9.451 -7.144 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.530 -11.234 -7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 647 13.260 -11.795 -5.833 1.00 0.00 H new ATOM 999 N GLU A 648 11.774 -10.194 -3.941 1.00 0.00 N ATOM 1000 CA GLU A 648 10.903 -10.339 -2.782 1.00 0.00 C ATOM 1001 C GLU A 648 10.065 -9.078 -2.577 1.00 0.00 C ATOM 1002 O GLU A 648 8.866 -9.150 -2.303 1.00 0.00 O ATOM 1003 CB GLU A 648 11.716 -10.635 -1.519 1.00 0.00 C ATOM 1004 CG GLU A 648 10.856 -11.062 -0.337 1.00 0.00 C ATOM 1005 CD GLU A 648 10.050 -12.315 -0.630 1.00 0.00 C ATOM 1006 OE1 GLU A 648 10.600 -13.426 -0.493 1.00 0.00 O ATOM 1007 OE2 GLU A 648 8.862 -12.200 -1.001 1.00 0.00 O ATOM 0 H GLU A 648 12.771 -10.227 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 648 10.236 -11.180 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.439 -11.421 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.284 -9.746 -1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 648 11.495 -11.238 0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 648 10.178 -10.251 -0.073 1.00 0.00 H new ATOM 1014 N TYR A 649 10.709 -7.926 -2.744 1.00 0.00 N ATOM 1015 CA TYR A 649 10.069 -6.629 -2.512 1.00 0.00 C ATOM 1016 C TYR A 649 8.793 -6.473 -3.342 1.00 0.00 C ATOM 1017 O TYR A 649 7.738 -6.120 -2.809 1.00 0.00 O ATOM 1018 CB TYR A 649 11.050 -5.490 -2.834 1.00 0.00 C ATOM 1019 CG TYR A 649 10.604 -4.114 -2.376 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.621 -3.953 -1.403 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.176 -2.972 -2.920 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.226 -2.697 -0.991 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.786 -1.714 -2.511 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.809 -1.581 -1.548 1.00 0.00 C ATOM 1025 OH TYR A 649 9.415 -0.329 -1.142 1.00 0.00 O ATOM 0 H TYR A 649 11.682 -7.862 -3.042 1.00 0.00 H new ATOM 0 HA TYR A 649 9.790 -6.580 -1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 649 12.011 -5.717 -2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.212 -5.463 -3.912 1.00 0.00 H new ATOM 0 HD1 TYR A 649 9.160 -4.825 -0.964 1.00 0.00 H new ATOM 0 HD2 TYR A 649 11.940 -3.070 -3.677 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.463 -2.590 -0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.244 -0.837 -2.943 1.00 0.00 H new ATOM 0 HH TYR A 649 8.475 -0.355 -0.867 1.00 0.00 H new ATOM 1035 N TYR A 650 8.884 -6.755 -4.637 1.00 0.00 N ATOM 1036 CA TYR A 650 7.758 -6.641 -5.535 1.00 0.00 C ATOM 1037 C TYR A 650 6.655 -7.628 -5.168 1.00 0.00 C ATOM 1038 O TYR A 650 5.469 -7.309 -5.255 1.00 0.00 O ATOM 1039 CB TYR A 650 8.242 -6.871 -6.959 1.00 0.00 C ATOM 1040 CG TYR A 650 8.968 -5.683 -7.552 1.00 0.00 C ATOM 1041 CD1 TYR A 650 10.314 -5.464 -7.293 1.00 0.00 C ATOM 1042 CD2 TYR A 650 8.302 -4.779 -8.370 1.00 0.00 C ATOM 1043 CE1 TYR A 650 10.977 -4.378 -7.832 1.00 0.00 C ATOM 1044 CE2 TYR A 650 8.957 -3.693 -8.915 1.00 0.00 C ATOM 1045 CZ TYR A 650 10.293 -3.496 -8.643 1.00 0.00 C ATOM 1046 OH TYR A 650 10.953 -2.416 -9.187 1.00 0.00 O ATOM 0 H TYR A 650 9.744 -7.069 -5.087 1.00 0.00 H new ATOM 0 HA TYR A 650 7.332 -5.641 -5.451 1.00 0.00 H new ATOM 0 HB2 TYR A 650 8.906 -7.736 -6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.387 -7.115 -7.589 1.00 0.00 H new ATOM 0 HD1 TYR A 650 10.852 -6.154 -6.660 1.00 0.00 H new ATOM 0 HD2 TYR A 650 7.254 -4.928 -8.583 1.00 0.00 H new ATOM 0 HE1 TYR A 650 12.024 -4.221 -7.620 1.00 0.00 H new ATOM 0 HE2 TYR A 650 8.425 -3.001 -9.551 1.00 0.00 H new ATOM 0 HH TYR A 650 10.330 -1.894 -9.734 1.00 0.00 H new ATOM 1056 N HIS A 651 7.065 -8.817 -4.746 1.00 0.00 N ATOM 1057 CA HIS A 651 6.142 -9.907 -4.448 1.00 0.00 C ATOM 1058 C HIS A 651 5.250 -9.560 -3.259 1.00 0.00 C ATOM 1059 O HIS A 651 4.040 -9.781 -3.295 1.00 0.00 O ATOM 1060 CB HIS A 651 6.954 -11.177 -4.164 1.00 0.00 C ATOM 1061 CG HIS A 651 6.202 -12.285 -3.491 1.00 0.00 C ATOM 1062 ND1 HIS A 651 6.582 -12.798 -2.272 1.00 0.00 N ATOM 1063 CD2 HIS A 651 5.108 -12.987 -3.869 1.00 0.00 C ATOM 1064 CE1 HIS A 651 5.756 -13.765 -1.927 1.00 0.00 C ATOM 1065 NE2 HIS A 651 4.849 -13.903 -2.877 1.00 0.00 N ATOM 0 H HIS A 651 8.046 -9.054 -4.600 1.00 0.00 H new ATOM 0 HA HIS A 651 5.490 -10.072 -5.306 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.352 -11.552 -5.107 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.808 -10.910 -3.541 1.00 0.00 H new ATOM 0 HD1 HIS A 651 7.379 -12.479 -1.721 1.00 0.00 H new ATOM 0 HD2 HIS A 651 4.544 -12.853 -4.780 1.00 0.00 H new ATOM 0 HE1 HIS A 651 5.811 -14.347 -1.019 1.00 0.00 H new ATOM 1074 N LEU A 652 5.862 -9.016 -2.214 1.00 0.00 N ATOM 1075 CA LEU A 652 5.151 -8.698 -0.980 1.00 0.00 C ATOM 1076 C LEU A 652 4.026 -7.701 -1.233 1.00 0.00 C ATOM 1077 O LEU A 652 2.880 -7.919 -0.836 1.00 0.00 O ATOM 1078 CB LEU A 652 6.129 -8.111 0.035 1.00 0.00 C ATOM 1079 CG LEU A 652 7.322 -9.000 0.381 1.00 0.00 C ATOM 1080 CD1 LEU A 652 8.328 -8.231 1.220 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.864 -10.249 1.116 1.00 0.00 C ATOM 0 H LEU A 652 6.855 -8.784 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 652 4.714 -9.618 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.503 -7.163 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.585 -7.888 0.953 1.00 0.00 H new ATOM 0 HG LEU A 652 7.804 -9.306 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 652 9.172 -8.878 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.681 -7.364 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.853 -7.898 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 652 7.728 -10.869 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 652 6.358 -9.963 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 652 6.177 -10.812 0.484 1.00 0.00 H new ATOM 1093 N LEU A 653 4.365 -6.611 -1.904 1.00 0.00 N ATOM 1094 CA LEU A 653 3.395 -5.573 -2.219 1.00 0.00 C ATOM 1095 C LEU A 653 2.307 -6.095 -3.156 1.00 0.00 C ATOM 1096 O LEU A 653 1.123 -5.845 -2.937 1.00 0.00 O ATOM 1097 CB LEU A 653 4.101 -4.370 -2.843 1.00 0.00 C ATOM 1098 CG LEU A 653 4.988 -3.574 -1.884 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.191 -3.022 -2.621 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.205 -2.436 -1.246 1.00 0.00 C ATOM 0 H LEU A 653 5.308 -6.422 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 653 2.915 -5.264 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.712 -4.718 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.348 -3.700 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 653 5.329 -4.246 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.815 -2.457 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.769 -3.845 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 653 5.856 -2.366 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.855 -1.883 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.838 -1.766 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.361 -2.843 -0.689 1.00 0.00 H new ATOM 1112 N ALA A 654 2.717 -6.829 -4.192 1.00 0.00 N ATOM 1113 CA ALA A 654 1.779 -7.375 -5.174 1.00 0.00 C ATOM 1114 C ALA A 654 0.718 -8.256 -4.518 1.00 0.00 C ATOM 1115 O ALA A 654 -0.464 -8.180 -4.868 1.00 0.00 O ATOM 1116 CB ALA A 654 2.530 -8.166 -6.234 1.00 0.00 C ATOM 0 H ALA A 654 3.694 -7.059 -4.373 1.00 0.00 H new ATOM 0 HA ALA A 654 1.268 -6.534 -5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.821 -8.567 -6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.238 -7.512 -6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.069 -8.987 -5.761 1.00 0.00 H new ATOM 1122 N GLU A 655 1.148 -9.086 -3.572 1.00 0.00 N ATOM 1123 CA GLU A 655 0.223 -9.972 -2.850 1.00 0.00 C ATOM 1124 C GLU A 655 -0.834 -9.144 -2.115 1.00 0.00 C ATOM 1125 O GLU A 655 -2.022 -9.474 -2.138 1.00 0.00 O ATOM 1126 CB GLU A 655 0.965 -10.906 -1.869 1.00 0.00 C ATOM 1127 CG GLU A 655 0.047 -11.637 -0.900 1.00 0.00 C ATOM 1128 CD GLU A 655 0.782 -12.675 -0.076 1.00 0.00 C ATOM 1129 OE1 GLU A 655 0.976 -13.807 -0.569 1.00 0.00 O ATOM 1130 OE2 GLU A 655 1.170 -12.369 1.067 1.00 0.00 O ATOM 0 H GLU A 655 2.123 -9.168 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.271 -10.607 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.532 -11.640 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.686 -10.320 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.422 -10.914 -0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.754 -12.122 -1.459 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.400 -8.050 -1.499 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.308 -7.158 -0.784 1.00 0.00 C ATOM 1139 C LYS A 656 -2.313 -6.512 -1.729 1.00 0.00 C ATOM 1140 O LYS A 656 -3.493 -6.382 -1.398 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.523 -6.069 -0.050 1.00 0.00 C ATOM 1142 CG LYS A 656 0.228 -6.572 1.171 1.00 0.00 C ATOM 1143 CD LYS A 656 -0.712 -6.940 2.311 1.00 0.00 C ATOM 1144 CE LYS A 656 -1.448 -5.721 2.853 1.00 0.00 C ATOM 1145 NZ LYS A 656 -2.294 -6.061 4.027 1.00 0.00 N ATOM 0 H LYS A 656 0.577 -7.758 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.854 -7.761 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.188 -5.618 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 656 -1.212 -5.282 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 656 0.823 -7.443 0.897 1.00 0.00 H new ATOM 0 HG3 LYS A 656 0.924 -5.805 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 656 -1.436 -7.676 1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -0.143 -7.408 3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 656 -0.725 -4.956 3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 656 -2.072 -5.294 2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 -2.545 -5.191 4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 -3.161 -6.535 3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 -1.768 -6.695 4.662 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.845 -6.109 -2.906 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.707 -5.460 -3.886 1.00 0.00 C ATOM 1161 C ILE A 657 -3.783 -6.430 -4.376 1.00 0.00 C ATOM 1162 O ILE A 657 -4.939 -6.050 -4.550 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.903 -4.915 -5.093 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.764 -4.012 -4.609 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.819 -4.140 -6.034 1.00 0.00 C ATOM 1166 CD1 ILE A 657 0.120 -3.489 -5.724 1.00 0.00 C ATOM 0 H ILE A 657 -0.876 -6.220 -3.203 1.00 0.00 H new ATOM 0 HA ILE A 657 -3.180 -4.613 -3.389 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.477 -5.760 -5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.189 -3.166 -4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.149 -4.567 -3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.240 -3.763 -6.877 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.606 -4.799 -6.400 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.267 -3.303 -5.498 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.902 -2.858 -5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.575 -4.327 -6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.481 -2.905 -6.421 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.400 -7.689 -4.590 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.356 -8.706 -5.029 1.00 0.00 C ATOM 1180 C TYR A 658 -5.407 -8.938 -3.944 1.00 0.00 C ATOM 1181 O TYR A 658 -6.584 -9.144 -4.249 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.669 -10.025 -5.422 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.478 -10.859 -6.404 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -4.934 -10.307 -7.597 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.782 -12.196 -6.148 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -5.669 -11.053 -8.499 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.517 -12.944 -7.049 1.00 0.00 C ATOM 1188 CZ TYR A 658 -5.957 -12.369 -8.219 1.00 0.00 C ATOM 1189 OH TYR A 658 -6.687 -13.116 -9.117 1.00 0.00 O ATOM 0 H TYR A 658 -2.445 -8.027 -4.468 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.847 -8.332 -5.927 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.696 -9.803 -5.861 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.486 -10.613 -4.522 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -4.709 -9.275 -7.823 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -4.438 -12.654 -5.232 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -6.015 -10.605 -9.419 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.745 -13.978 -6.835 1.00 0.00 H new ATOM 0 HH TYR A 658 -6.802 -14.025 -8.769 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.978 -8.904 -2.676 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.908 -9.033 -1.558 1.00 0.00 C ATOM 1201 C LYS A 659 -6.977 -7.952 -1.651 1.00 0.00 C ATOM 1202 O LYS A 659 -8.171 -8.230 -1.521 1.00 0.00 O ATOM 1203 CB LYS A 659 -5.182 -8.926 -0.211 1.00 0.00 C ATOM 1204 CG LYS A 659 -4.204 -10.058 0.061 1.00 0.00 C ATOM 1205 CD LYS A 659 -4.908 -11.400 0.164 1.00 0.00 C ATOM 1206 CE LYS A 659 -3.912 -12.525 0.388 1.00 0.00 C ATOM 1207 NZ LYS A 659 -4.573 -13.853 0.442 1.00 0.00 N ATOM 0 H LYS A 659 -4.001 -8.789 -2.405 1.00 0.00 H new ATOM 0 HA LYS A 659 -6.372 -10.018 -1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -4.643 -7.979 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -5.923 -8.901 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.462 -10.097 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -3.665 -9.858 0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -5.625 -11.376 0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.474 -11.588 -0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -3.174 -12.520 -0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.372 -12.351 1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -3.857 -14.591 0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -5.259 -13.868 1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -5.067 -14.032 -0.456 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.529 -6.728 -1.908 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.425 -5.594 -2.104 1.00 0.00 C ATOM 1223 C ILE A 660 -8.355 -5.833 -3.291 1.00 0.00 C ATOM 1224 O ILE A 660 -9.537 -5.510 -3.231 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.630 -4.268 -2.280 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.829 -3.370 -1.071 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.018 -3.504 -3.548 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -6.001 -2.110 -1.133 1.00 0.00 C ATOM 0 H ILE A 660 -5.539 -6.494 -1.986 1.00 0.00 H new ATOM 0 HA ILE A 660 -8.037 -5.497 -1.207 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.581 -4.547 -2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.883 -3.103 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.572 -3.923 -0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.430 -2.589 -3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -6.823 -4.126 -4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.078 -3.253 -3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -6.186 -1.509 -0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -4.944 -2.371 -1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -6.275 -1.538 -2.020 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.825 -6.436 -4.352 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.606 -6.630 -5.576 1.00 0.00 C ATOM 1242 C GLN A 661 -9.756 -7.588 -5.305 1.00 0.00 C ATOM 1243 O GLN A 661 -10.876 -7.393 -5.787 1.00 0.00 O ATOM 1244 CB GLN A 661 -7.748 -7.129 -6.753 1.00 0.00 C ATOM 1245 CG GLN A 661 -6.736 -6.095 -7.248 1.00 0.00 C ATOM 1246 CD GLN A 661 -5.990 -6.543 -8.488 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -4.831 -7.149 -8.293 1.00 0.00 O flip ATOM 1248 NE2 GLN A 661 -6.439 -6.326 -9.612 1.00 0.00 N flip ATOM 0 H GLN A 661 -6.871 -6.795 -4.393 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.002 -5.658 -5.871 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.216 -8.030 -6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.403 -7.409 -7.578 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.255 -5.160 -7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.018 -5.888 -6.454 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -7.338 -5.855 -9.720 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -5.913 -6.617 -10.436 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.470 -8.629 -4.533 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.492 -9.570 -4.115 1.00 0.00 C ATOM 1259 C LYS A 662 -11.512 -8.889 -3.205 1.00 0.00 C ATOM 1260 O LYS A 662 -12.714 -9.063 -3.380 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.869 -10.773 -3.404 1.00 0.00 C ATOM 1262 CG LYS A 662 -10.840 -11.928 -3.225 1.00 0.00 C ATOM 1263 CD LYS A 662 -10.194 -13.099 -2.505 1.00 0.00 C ATOM 1264 CE LYS A 662 -11.093 -14.325 -2.517 1.00 0.00 C ATOM 1265 NZ LYS A 662 -12.418 -14.054 -1.900 1.00 0.00 N ATOM 0 H LYS A 662 -8.535 -8.840 -4.185 1.00 0.00 H new ATOM 0 HA LYS A 662 -11.005 -9.926 -5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -9.006 -11.117 -3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -9.502 -10.460 -2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -11.709 -11.589 -2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -11.201 -12.255 -4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -9.243 -13.339 -2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -9.974 -12.818 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -11.234 -14.660 -3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -10.604 -15.138 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -12.939 -14.947 -1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -12.283 -13.615 -0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -12.960 -13.409 -2.510 1.00 0.00 H new ATOM 1279 N GLU A 663 -11.028 -8.106 -2.243 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.909 -7.406 -1.310 1.00 0.00 C ATOM 1281 C GLU A 663 -12.800 -6.404 -2.033 1.00 0.00 C ATOM 1282 O GLU A 663 -13.970 -6.248 -1.687 1.00 0.00 O ATOM 1283 CB GLU A 663 -11.115 -6.703 -0.211 1.00 0.00 C ATOM 1284 CG GLU A 663 -10.354 -7.657 0.691 1.00 0.00 C ATOM 1285 CD GLU A 663 -10.002 -7.038 2.026 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -10.891 -6.999 2.911 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -8.847 -6.601 2.202 1.00 0.00 O ATOM 0 H GLU A 663 -10.033 -7.940 -2.089 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.544 -8.161 -0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.410 -6.009 -0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.798 -6.109 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -10.954 -8.552 0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.440 -7.974 0.189 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.248 -5.715 -3.025 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.029 -4.784 -3.829 1.00 0.00 C ATOM 1296 C LEU A 664 -14.182 -5.516 -4.507 1.00 0.00 C ATOM 1297 O LEU A 664 -15.289 -4.991 -4.615 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.152 -4.087 -4.874 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.039 -3.197 -4.313 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.268 -2.536 -5.444 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -11.610 -2.147 -3.372 1.00 0.00 C ATOM 0 H LEU A 664 -11.266 -5.783 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.435 -4.019 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -11.699 -4.848 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -12.792 -3.479 -5.513 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.352 -3.825 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -9.481 -1.907 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -9.823 -3.303 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -10.947 -1.923 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -10.801 -1.526 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -12.321 -1.522 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.118 -2.639 -2.543 1.00 0.00 H new ATOM 1313 N GLU A 665 -13.904 -6.724 -4.977 1.00 0.00 N ATOM 1314 CA GLU A 665 -14.935 -7.585 -5.540 1.00 0.00 C ATOM 1315 C GLU A 665 -15.941 -7.995 -4.460 1.00 0.00 C ATOM 1316 O GLU A 665 -17.152 -7.940 -4.670 1.00 0.00 O ATOM 1317 CB GLU A 665 -14.291 -8.821 -6.170 1.00 0.00 C ATOM 1318 CG GLU A 665 -15.267 -9.717 -6.911 1.00 0.00 C ATOM 1319 CD GLU A 665 -14.589 -10.934 -7.499 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -14.494 -11.964 -6.794 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -14.133 -10.869 -8.661 1.00 0.00 O ATOM 0 H GLU A 665 -12.969 -7.131 -4.979 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.472 -7.034 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -13.512 -8.499 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -13.803 -9.402 -5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -16.055 -10.036 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -15.746 -9.149 -7.708 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.420 -8.389 -3.300 1.00 0.00 N ATOM 1329 CA GLU A 666 -16.242 -8.861 -2.186 1.00 0.00 C ATOM 1330 C GLU A 666 -17.160 -7.769 -1.644 1.00 0.00 C ATOM 1331 O GLU A 666 -18.307 -8.041 -1.293 1.00 0.00 O ATOM 1332 CB GLU A 666 -15.357 -9.393 -1.060 1.00 0.00 C ATOM 1333 CG GLU A 666 -14.635 -10.684 -1.407 1.00 0.00 C ATOM 1334 CD GLU A 666 -15.591 -11.823 -1.690 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -16.132 -12.400 -0.731 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -15.802 -12.152 -2.876 1.00 0.00 O ATOM 0 H GLU A 666 -14.419 -8.390 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.870 -9.664 -2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -14.620 -8.634 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -15.971 -9.557 -0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -14.002 -10.520 -2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -13.977 -10.962 -0.583 1.00 0.00 H new ATOM 1343 N LYS A 667 -16.648 -6.545 -1.558 1.00 0.00 N ATOM 1344 CA LYS A 667 -17.407 -5.416 -1.019 1.00 0.00 C ATOM 1345 C LYS A 667 -18.726 -5.232 -1.772 1.00 0.00 C ATOM 1346 O LYS A 667 -19.740 -4.884 -1.174 1.00 0.00 O ATOM 1347 CB LYS A 667 -16.573 -4.122 -1.036 1.00 0.00 C ATOM 1348 CG LYS A 667 -16.561 -3.388 -2.368 1.00 0.00 C ATOM 1349 CD LYS A 667 -15.539 -2.261 -2.381 1.00 0.00 C ATOM 1350 CE LYS A 667 -15.681 -1.382 -3.618 1.00 0.00 C ATOM 1351 NZ LYS A 667 -15.971 -2.173 -4.843 1.00 0.00 N ATOM 0 H LYS A 667 -15.702 -6.306 -1.857 1.00 0.00 H new ATOM 0 HA LYS A 667 -17.644 -5.642 0.021 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -16.957 -3.449 -0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -15.546 -4.365 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -16.336 -4.092 -3.169 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -17.553 -2.982 -2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -15.659 -1.651 -1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -14.534 -2.681 -2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -16.481 -0.659 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -14.762 -0.814 -3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -15.697 -1.625 -5.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -15.431 -3.062 -4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -16.988 -2.387 -4.885 1.00 0.00 H new ATOM 1365 N ARG A 668 -18.694 -5.476 -3.082 1.00 0.00 N ATOM 1366 CA ARG A 668 -19.865 -5.325 -3.944 1.00 0.00 C ATOM 1367 C ARG A 668 -20.929 -6.393 -3.654 1.00 0.00 C ATOM 1368 O ARG A 668 -21.900 -6.555 -4.395 1.00 0.00 O ATOM 1369 CB ARG A 668 -19.433 -5.375 -5.412 1.00 0.00 C ATOM 1370 CG ARG A 668 -20.504 -4.933 -6.395 1.00 0.00 C ATOM 1371 CD ARG A 668 -19.973 -4.943 -7.815 1.00 0.00 C ATOM 1372 NE ARG A 668 -18.832 -4.045 -7.971 1.00 0.00 N ATOM 1373 CZ ARG A 668 -17.783 -4.298 -8.748 1.00 0.00 C ATOM 1374 NH1 ARG A 668 -17.716 -5.441 -9.426 1.00 0.00 N ATOM 1375 NH2 ARG A 668 -16.798 -3.414 -8.845 1.00 0.00 N ATOM 0 H ARG A 668 -17.856 -5.784 -3.575 1.00 0.00 H new ATOM 0 HA ARG A 668 -20.319 -4.357 -3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -18.554 -4.743 -5.542 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -19.131 -6.394 -5.655 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -21.367 -5.595 -6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -20.848 -3.931 -6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -19.678 -5.957 -8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -20.766 -4.647 -8.502 1.00 0.00 H new ATOM 0 HE ARG A 668 -18.840 -3.168 -7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -18.470 -6.124 -9.350 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -16.911 -5.634 -10.022 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -16.845 -2.539 -8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -15.994 -3.610 -9.441 1.00 0.00 H new ATOM 1389 N ARG A 669 -20.697 -7.127 -2.580 1.00 0.00 N ATOM 1390 CA ARG A 669 -21.638 -8.128 -2.069 1.00 0.00 C ATOM 1391 C ARG A 669 -23.071 -7.589 -2.055 1.00 0.00 C ATOM 1392 O ARG A 669 -24.017 -8.327 -2.329 1.00 0.00 O ATOM 1393 CB ARG A 669 -21.216 -8.565 -0.657 1.00 0.00 C ATOM 1394 CG ARG A 669 -21.669 -9.968 -0.266 1.00 0.00 C ATOM 1395 CD ARG A 669 -23.148 -10.024 0.076 1.00 0.00 C ATOM 1396 NE ARG A 669 -23.599 -11.391 0.326 1.00 0.00 N ATOM 1397 CZ ARG A 669 -24.749 -11.699 0.924 1.00 0.00 C ATOM 1398 NH1 ARG A 669 -25.565 -10.739 1.342 1.00 0.00 N ATOM 1399 NH2 ARG A 669 -25.082 -12.971 1.102 1.00 0.00 N ATOM 0 H ARG A 669 -19.843 -7.050 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 669 -21.616 -8.991 -2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 669 -20.130 -8.515 -0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 669 -21.617 -7.853 0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 669 -21.462 -10.656 -1.086 1.00 0.00 H new ATOM 0 HG3 ARG A 669 -21.088 -10.309 0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 669 -23.340 -9.412 0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 669 -23.726 -9.595 -0.742 1.00 0.00 H new ATOM 0 HE ARG A 669 -22.996 -12.157 0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 669 -25.313 -9.760 1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 669 -26.444 -10.980 1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 669 -24.458 -13.711 0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 669 -25.962 -13.209 1.560 1.00 0.00 H new ATOM 1413 N SER A 670 -23.231 -6.312 -1.749 1.00 0.00 N ATOM 1414 CA SER A 670 -24.536 -5.684 -1.838 1.00 0.00 C ATOM 1415 C SER A 670 -24.474 -4.378 -2.645 1.00 0.00 C ATOM 1416 O SER A 670 -25.396 -4.084 -3.406 1.00 0.00 O ATOM 1417 CB SER A 670 -25.132 -5.467 -0.432 1.00 0.00 C ATOM 1418 OG SER A 670 -26.401 -4.835 -0.491 1.00 0.00 O ATOM 0 H SER A 670 -22.480 -5.695 -1.439 1.00 0.00 H new ATOM 0 HA SER A 670 -25.203 -6.356 -2.378 1.00 0.00 H new ATOM 0 HB2 SER A 670 -25.227 -6.427 0.075 1.00 0.00 H new ATOM 0 HB3 SER A 670 -24.450 -4.859 0.162 1.00 0.00 H new ATOM 0 HG SER A 670 -26.749 -4.715 0.417 1.00 0.00 H new ATOM 1424 N ARG A 671 -23.385 -3.614 -2.512 1.00 0.00 N ATOM 1425 CA ARG A 671 -23.240 -2.343 -3.217 1.00 0.00 C ATOM 1426 C ARG A 671 -21.771 -2.028 -3.470 1.00 0.00 C ATOM 1427 O ARG A 671 -20.900 -2.543 -2.771 1.00 0.00 O ATOM 1428 CB ARG A 671 -23.857 -1.185 -2.414 1.00 0.00 C ATOM 1429 CG ARG A 671 -25.381 -1.119 -2.428 1.00 0.00 C ATOM 1430 CD ARG A 671 -25.928 -0.726 -3.797 1.00 0.00 C ATOM 1431 NE ARG A 671 -25.876 -1.829 -4.755 1.00 0.00 N ATOM 1432 CZ ARG A 671 -26.092 -1.699 -6.063 1.00 0.00 C ATOM 1433 NH1 ARG A 671 -26.353 -0.506 -6.582 1.00 0.00 N ATOM 1434 NH2 ARG A 671 -26.051 -2.766 -6.849 1.00 0.00 N ATOM 0 H ARG A 671 -22.591 -3.857 -1.920 1.00 0.00 H new ATOM 0 HA ARG A 671 -23.765 -2.444 -4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -23.523 -1.264 -1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -23.466 -0.245 -2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -25.788 -2.089 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -25.719 -0.398 -1.683 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -26.959 -0.389 -3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -25.356 0.117 -4.186 1.00 0.00 H new ATOM 0 HE ARG A 671 -25.660 -2.760 -4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -26.389 0.316 -5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -26.518 -0.411 -7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -25.854 -3.685 -6.452 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -26.216 -2.668 -7.851 1.00 0.00 H new ATOM 1448 N LEU A 672 -21.523 -1.194 -4.485 1.00 0.00 N ATOM 1449 CA LEU A 672 -20.189 -0.642 -4.762 1.00 0.00 C ATOM 1450 C LEU A 672 -19.238 -1.701 -5.302 1.00 0.00 C ATOM 1451 O LEU A 672 -19.161 -1.843 -6.540 1.00 0.00 O ATOM 1452 CB LEU A 672 -19.618 0.013 -3.505 1.00 0.00 C ATOM 1453 CG LEU A 672 -20.277 1.336 -3.101 1.00 0.00 C ATOM 1454 CD1 LEU A 672 -19.696 1.831 -1.791 1.00 0.00 C ATOM 1455 CD2 LEU A 672 -20.099 2.389 -4.188 1.00 0.00 C ATOM 1456 OXT LEU A 672 -18.555 -2.368 -4.507 1.00 0.00 O ATOM 0 H LEU A 672 -22.240 -0.881 -5.139 1.00 0.00 H new ATOM 0 HA LEU A 672 -20.296 0.117 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 672 -19.710 -0.688 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 672 -18.553 0.188 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 672 -21.345 1.159 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 672 -20.172 2.772 -1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 672 -19.874 1.091 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 672 -18.623 1.987 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 672 -20.576 3.318 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 672 -19.036 2.565 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 672 -20.557 2.039 -5.113 1.00 0.00 H new TER 1468 LEU A 672 ATOM 1469 N ASP B 840 4.037 -10.919 9.597 1.00 0.00 N ATOM 1470 CA ASP B 840 2.591 -10.906 9.829 1.00 0.00 C ATOM 1471 C ASP B 840 2.115 -9.520 10.226 1.00 0.00 C ATOM 1472 O ASP B 840 2.080 -9.181 11.409 1.00 0.00 O ATOM 1473 CB ASP B 840 2.163 -11.917 10.906 1.00 0.00 C ATOM 1474 CG ASP B 840 2.428 -13.352 10.506 1.00 0.00 C ATOM 1475 OD1 ASP B 840 1.647 -13.911 9.706 1.00 0.00 O ATOM 1476 OD2 ASP B 840 3.412 -13.932 10.998 1.00 0.00 O ATOM 0 HA ASP B 840 2.127 -11.195 8.886 1.00 0.00 H new ATOM 0 HB2 ASP B 840 2.694 -11.700 11.833 1.00 0.00 H new ATOM 0 HB3 ASP B 840 1.100 -11.793 11.111 1.00 0.00 H new ATOM 1481 N ALA B 841 1.770 -8.716 9.236 1.00 0.00 N ATOM 1482 CA ALA B 841 1.182 -7.408 9.483 1.00 0.00 C ATOM 1483 C ALA B 841 -0.203 -7.345 8.860 1.00 0.00 C ATOM 1484 O ALA B 841 -0.633 -6.302 8.361 1.00 0.00 O ATOM 1485 CB ALA B 841 2.072 -6.304 8.933 1.00 0.00 C ATOM 0 H ALA B 841 1.887 -8.946 8.249 1.00 0.00 H new ATOM 0 HA ALA B 841 1.093 -7.258 10.559 1.00 0.00 H new ATOM 0 HB1 ALA B 841 1.613 -5.335 9.129 1.00 0.00 H new ATOM 0 HB2 ALA B 841 3.047 -6.348 9.417 1.00 0.00 H new ATOM 0 HB3 ALA B 841 2.194 -6.437 7.858 1.00 0.00 H new ATOM 1491 N GLY B 842 -0.893 -8.477 8.892 1.00 0.00 N ATOM 1492 CA GLY B 842 -2.198 -8.574 8.281 1.00 0.00 C ATOM 1493 C GLY B 842 -2.111 -8.702 6.777 1.00 0.00 C ATOM 1494 O GLY B 842 -1.980 -7.704 6.069 1.00 0.00 O ATOM 0 H GLY B 842 -0.566 -9.336 9.335 1.00 0.00 H new ATOM 0 HA2 GLY B 842 -2.726 -9.436 8.688 1.00 0.00 H new ATOM 0 HA3 GLY B 842 -2.784 -7.691 8.536 1.00 0.00 H new ATOM 1498 N ASN B 843 -2.155 -9.936 6.292 1.00 0.00 N ATOM 1499 CA ASN B 843 -2.136 -10.200 4.849 1.00 0.00 C ATOM 1500 C ASN B 843 -3.313 -9.499 4.184 1.00 0.00 C ATOM 1501 O ASN B 843 -3.167 -8.830 3.161 1.00 0.00 O ATOM 1502 CB ASN B 843 -2.220 -11.715 4.552 1.00 0.00 C ATOM 1503 CG ASN B 843 -1.416 -12.116 3.326 1.00 0.00 C ATOM 1504 OD1 ASN B 843 -1.785 -13.052 2.616 1.00 0.00 O ATOM 1505 ND2 ASN B 843 -0.308 -11.431 3.069 1.00 0.00 N ATOM 0 H ASN B 843 -2.204 -10.774 6.872 1.00 0.00 H new ATOM 0 HA ASN B 843 -1.195 -9.820 4.452 1.00 0.00 H new ATOM 0 HB2 ASN B 843 -1.859 -12.272 5.417 1.00 0.00 H new ATOM 0 HB3 ASN B 843 -3.263 -11.995 4.406 1.00 0.00 H new ATOM 0 HD21 ASN B 843 0.267 -11.675 2.262 1.00 0.00 H new ATOM 0 HD22 ASN B 843 -0.032 -10.661 3.678 1.00 0.00 H new ATOM 1512 N ILE B 844 -4.473 -9.638 4.797 1.00 0.00 N ATOM 1513 CA ILE B 844 -5.689 -9.018 4.285 1.00 0.00 C ATOM 1514 C ILE B 844 -5.903 -7.682 4.986 1.00 0.00 C ATOM 1515 O ILE B 844 -5.516 -7.513 6.145 1.00 0.00 O ATOM 1516 CB ILE B 844 -6.933 -9.930 4.474 1.00 0.00 C ATOM 1517 CG1 ILE B 844 -6.594 -11.374 4.082 1.00 0.00 C ATOM 1518 CG2 ILE B 844 -8.092 -9.419 3.630 1.00 0.00 C ATOM 1519 CD1 ILE B 844 -7.790 -12.305 4.061 1.00 0.00 C ATOM 0 H ILE B 844 -4.603 -10.176 5.654 1.00 0.00 H new ATOM 0 HA ILE B 844 -5.566 -8.862 3.213 1.00 0.00 H new ATOM 0 HB ILE B 844 -7.226 -9.909 5.524 1.00 0.00 H new ATOM 0 HG12 ILE B 844 -6.131 -11.372 3.095 1.00 0.00 H new ATOM 0 HG13 ILE B 844 -5.855 -11.765 4.781 1.00 0.00 H new ATOM 0 HG21 ILE B 844 -8.958 -10.066 3.771 1.00 0.00 H new ATOM 0 HG22 ILE B 844 -8.344 -8.404 3.935 1.00 0.00 H new ATOM 0 HG23 ILE B 844 -7.805 -9.421 2.578 1.00 0.00 H new ATOM 0 HD11 ILE B 844 -7.467 -13.306 3.775 1.00 0.00 H new ATOM 0 HD12 ILE B 844 -8.242 -12.339 5.052 1.00 0.00 H new ATOM 0 HD13 ILE B 844 -8.522 -11.940 3.341 1.00 0.00 H new ATOM 1531 N LEU B 845 -6.495 -6.728 4.282 1.00 0.00 N ATOM 1532 CA LEU B 845 -6.600 -5.369 4.787 1.00 0.00 C ATOM 1533 C LEU B 845 -7.766 -5.227 5.759 1.00 0.00 C ATOM 1534 O LEU B 845 -8.836 -5.796 5.551 1.00 0.00 O ATOM 1535 CB LEU B 845 -6.758 -4.373 3.634 1.00 0.00 C ATOM 1536 CG LEU B 845 -5.569 -4.284 2.671 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -5.700 -5.300 1.538 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -5.442 -2.873 2.126 1.00 0.00 C ATOM 0 H LEU B 845 -6.909 -6.871 3.361 1.00 0.00 H new ATOM 0 HA LEU B 845 -5.677 -5.147 5.323 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -7.646 -4.643 3.063 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -6.938 -3.383 4.054 1.00 0.00 H new ATOM 0 HG LEU B 845 -4.660 -4.525 3.223 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -4.842 -5.214 0.871 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -5.736 -6.307 1.954 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -6.615 -5.106 0.979 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -4.594 -2.822 1.443 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -6.354 -2.605 1.593 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -5.286 -2.177 2.950 1.00 0.00 H new ATOM 1550 N PRO B 846 -7.558 -4.462 6.843 1.00 0.00 N ATOM 1551 CA PRO B 846 -8.582 -4.217 7.866 1.00 0.00 C ATOM 1552 C PRO B 846 -9.849 -3.597 7.289 1.00 0.00 C ATOM 1553 O PRO B 846 -9.798 -2.779 6.364 1.00 0.00 O ATOM 1554 CB PRO B 846 -7.909 -3.233 8.832 1.00 0.00 C ATOM 1555 CG PRO B 846 -6.737 -2.688 8.091 1.00 0.00 C ATOM 1556 CD PRO B 846 -6.298 -3.779 7.164 1.00 0.00 C ATOM 0 HA PRO B 846 -8.903 -5.146 8.336 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -8.595 -2.437 9.122 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -7.596 -3.734 9.748 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -7.008 -1.789 7.537 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -5.936 -2.411 8.776 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -5.815 -3.381 6.271 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -5.584 -4.451 7.640 1.00 0.00 H new ATOM 1564 N SER B 847 -10.981 -3.994 7.867 1.00 0.00 N ATOM 1565 CA SER B 847 -12.295 -3.509 7.462 1.00 0.00 C ATOM 1566 C SER B 847 -12.347 -1.991 7.523 1.00 0.00 C ATOM 1567 O SER B 847 -12.957 -1.360 6.671 1.00 0.00 O ATOM 1568 CB SER B 847 -13.393 -4.099 8.353 1.00 0.00 C ATOM 1569 OG SER B 847 -14.688 -3.772 7.865 1.00 0.00 O ATOM 0 H SER B 847 -11.010 -4.666 8.634 1.00 0.00 H new ATOM 0 HA SER B 847 -12.467 -3.830 6.435 1.00 0.00 H new ATOM 0 HB2 SER B 847 -13.283 -5.182 8.400 1.00 0.00 H new ATOM 0 HB3 SER B 847 -13.280 -3.723 9.370 1.00 0.00 H new ATOM 0 HG SER B 847 -14.794 -2.798 7.846 1.00 0.00 H new ATOM 1575 N ASP B 848 -11.700 -1.419 8.534 1.00 0.00 N ATOM 1576 CA ASP B 848 -11.740 0.027 8.767 1.00 0.00 C ATOM 1577 C ASP B 848 -11.340 0.813 7.516 1.00 0.00 C ATOM 1578 O ASP B 848 -12.030 1.756 7.127 1.00 0.00 O ATOM 1579 CB ASP B 848 -10.812 0.407 9.929 1.00 0.00 C ATOM 1580 CG ASP B 848 -10.894 1.880 10.284 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -11.988 2.343 10.676 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -9.856 2.573 10.203 1.00 0.00 O ATOM 0 H ASP B 848 -11.138 -1.936 9.210 1.00 0.00 H new ATOM 0 HA ASP B 848 -12.768 0.287 9.019 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -11.070 -0.189 10.805 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -9.784 0.157 9.665 1.00 0.00 H new ATOM 1587 N ILE B 849 -10.236 0.419 6.882 1.00 0.00 N ATOM 1588 CA ILE B 849 -9.778 1.103 5.674 1.00 0.00 C ATOM 1589 C ILE B 849 -10.761 0.903 4.521 1.00 0.00 C ATOM 1590 O ILE B 849 -11.093 1.847 3.806 1.00 0.00 O ATOM 1591 CB ILE B 849 -8.370 0.651 5.226 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -7.376 0.711 6.399 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -7.896 1.536 4.080 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -7.185 2.097 6.990 1.00 0.00 C ATOM 0 H ILE B 849 -9.649 -0.360 7.180 1.00 0.00 H new ATOM 0 HA ILE B 849 -9.724 2.161 5.933 1.00 0.00 H new ATOM 0 HB ILE B 849 -8.422 -0.383 4.886 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -7.719 0.038 7.185 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -6.410 0.338 6.060 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -6.903 1.219 3.762 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -8.589 1.450 3.243 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -7.856 2.573 4.413 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -6.469 2.047 7.810 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -6.809 2.772 6.221 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -8.139 2.468 7.364 1.00 0.00 H new ATOM 1606 N MET B 850 -11.226 -0.330 4.347 1.00 0.00 N ATOM 1607 CA MET B 850 -12.203 -0.643 3.305 1.00 0.00 C ATOM 1608 C MET B 850 -13.496 0.125 3.540 1.00 0.00 C ATOM 1609 O MET B 850 -14.127 0.609 2.606 1.00 0.00 O ATOM 1610 CB MET B 850 -12.479 -2.148 3.242 1.00 0.00 C ATOM 1611 CG MET B 850 -11.347 -2.967 2.630 1.00 0.00 C ATOM 1612 SD MET B 850 -11.021 -2.551 0.901 1.00 0.00 S ATOM 1613 CE MET B 850 -9.685 -1.367 1.065 1.00 0.00 C ATOM 0 H MET B 850 -10.943 -1.130 4.913 1.00 0.00 H new ATOM 0 HA MET B 850 -11.783 -0.336 2.347 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.672 -2.513 4.251 1.00 0.00 H new ATOM 0 HB3 MET B 850 -13.387 -2.315 2.663 1.00 0.00 H new ATOM 0 HG2 MET B 850 -10.439 -2.811 3.212 1.00 0.00 H new ATOM 0 HG3 MET B 850 -11.594 -4.026 2.702 1.00 0.00 H new ATOM 0 HE1 MET B 850 -9.837 -0.547 0.363 1.00 0.00 H new ATOM 0 HE2 MET B 850 -9.668 -0.976 2.082 1.00 0.00 H new ATOM 0 HE3 MET B 850 -8.736 -1.857 0.849 1.00 0.00 H new ATOM 1623 N ASP B 851 -13.877 0.238 4.799 1.00 0.00 N ATOM 1624 CA ASP B 851 -15.045 1.009 5.194 1.00 0.00 C ATOM 1625 C ASP B 851 -14.961 2.437 4.662 1.00 0.00 C ATOM 1626 O ASP B 851 -15.980 3.026 4.302 1.00 0.00 O ATOM 1627 CB ASP B 851 -15.200 1.018 6.723 1.00 0.00 C ATOM 1628 CG ASP B 851 -16.127 -0.075 7.223 1.00 0.00 C ATOM 1629 OD1 ASP B 851 -15.715 -1.255 7.281 1.00 0.00 O ATOM 1630 OD2 ASP B 851 -17.287 0.248 7.563 1.00 0.00 O ATOM 0 H ASP B 851 -13.387 -0.202 5.578 1.00 0.00 H new ATOM 0 HA ASP B 851 -15.923 0.532 4.759 1.00 0.00 H new ATOM 0 HB2 ASP B 851 -14.220 0.897 7.184 1.00 0.00 H new ATOM 0 HB3 ASP B 851 -15.584 1.988 7.040 1.00 0.00 H new ATOM 1635 N PHE B 852 -13.756 3.005 4.639 1.00 0.00 N ATOM 1636 CA PHE B 852 -13.561 4.355 4.113 1.00 0.00 C ATOM 1637 C PHE B 852 -14.044 4.468 2.664 1.00 0.00 C ATOM 1638 O PHE B 852 -14.809 5.376 2.335 1.00 0.00 O ATOM 1639 CB PHE B 852 -12.084 4.770 4.177 1.00 0.00 C ATOM 1640 CG PHE B 852 -11.510 4.873 5.563 1.00 0.00 C ATOM 1641 CD1 PHE B 852 -12.317 5.134 6.660 1.00 0.00 C ATOM 1642 CD2 PHE B 852 -10.148 4.724 5.760 1.00 0.00 C ATOM 1643 CE1 PHE B 852 -11.773 5.242 7.925 1.00 0.00 C ATOM 1644 CE2 PHE B 852 -9.600 4.829 7.022 1.00 0.00 C ATOM 1645 CZ PHE B 852 -10.412 5.089 8.105 1.00 0.00 C ATOM 0 H PHE B 852 -12.905 2.555 4.976 1.00 0.00 H new ATOM 0 HA PHE B 852 -14.152 5.022 4.740 1.00 0.00 H new ATOM 0 HB2 PHE B 852 -11.495 4.049 3.609 1.00 0.00 H new ATOM 0 HB3 PHE B 852 -11.972 5.734 3.681 1.00 0.00 H new ATOM 0 HD1 PHE B 852 -13.382 5.254 6.524 1.00 0.00 H new ATOM 0 HD2 PHE B 852 -9.506 4.523 4.915 1.00 0.00 H new ATOM 0 HE1 PHE B 852 -12.411 5.446 8.772 1.00 0.00 H new ATOM 0 HE2 PHE B 852 -8.536 4.708 7.161 1.00 0.00 H new ATOM 0 HZ PHE B 852 -9.985 5.173 9.093 1.00 0.00 H new ATOM 1655 N VAL B 853 -13.598 3.553 1.801 1.00 0.00 N ATOM 1656 CA VAL B 853 -13.998 3.578 0.393 1.00 0.00 C ATOM 1657 C VAL B 853 -15.493 3.275 0.246 1.00 0.00 C ATOM 1658 O VAL B 853 -16.173 3.875 -0.583 1.00 0.00 O ATOM 1659 CB VAL B 853 -13.137 2.641 -0.501 1.00 0.00 C ATOM 1660 CG1 VAL B 853 -13.331 1.173 -0.162 1.00 0.00 C ATOM 1661 CG2 VAL B 853 -13.427 2.888 -1.975 1.00 0.00 C ATOM 0 H VAL B 853 -12.966 2.792 2.049 1.00 0.00 H new ATOM 0 HA VAL B 853 -13.814 4.590 0.033 1.00 0.00 H new ATOM 0 HB VAL B 853 -12.094 2.882 -0.297 1.00 0.00 H new ATOM 0 HG11 VAL B 853 -12.707 0.563 -0.815 1.00 0.00 H new ATOM 0 HG12 VAL B 853 -13.048 0.999 0.876 1.00 0.00 H new ATOM 0 HG13 VAL B 853 -14.377 0.902 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL B 853 -12.814 2.222 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL B 853 -14.481 2.695 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL B 853 -13.194 3.923 -2.223 1.00 0.00 H new ATOM 1671 N LEU B 854 -15.992 2.340 1.057 1.00 0.00 N ATOM 1672 CA LEU B 854 -17.426 2.028 1.109 1.00 0.00 C ATOM 1673 C LEU B 854 -18.243 3.283 1.423 1.00 0.00 C ATOM 1674 O LEU B 854 -19.350 3.461 0.914 1.00 0.00 O ATOM 1675 CB LEU B 854 -17.729 0.937 2.154 1.00 0.00 C ATOM 1676 CG LEU B 854 -17.624 -0.533 1.690 1.00 0.00 C ATOM 1677 CD1 LEU B 854 -18.790 -0.923 0.785 1.00 0.00 C ATOM 1678 CD2 LEU B 854 -16.306 -0.793 0.980 1.00 0.00 C ATOM 0 H LEU B 854 -15.422 1.781 1.692 1.00 0.00 H new ATOM 0 HA LEU B 854 -17.711 1.652 0.126 1.00 0.00 H new ATOM 0 HB2 LEU B 854 -17.049 1.076 2.994 1.00 0.00 H new ATOM 0 HB3 LEU B 854 -18.739 1.101 2.531 1.00 0.00 H new ATOM 0 HG LEU B 854 -17.666 -1.152 2.586 1.00 0.00 H new ATOM 0 HD11 LEU B 854 -18.681 -1.964 0.479 1.00 0.00 H new ATOM 0 HD12 LEU B 854 -19.728 -0.800 1.327 1.00 0.00 H new ATOM 0 HD13 LEU B 854 -18.795 -0.284 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU B 854 -16.262 -1.836 0.665 1.00 0.00 H new ATOM 0 HD22 LEU B 854 -16.230 -0.147 0.106 1.00 0.00 H new ATOM 0 HD23 LEU B 854 -15.479 -0.583 1.659 1.00 0.00 H new ATOM 1690 N LYS B 855 -17.702 4.143 2.288 1.00 0.00 N ATOM 1691 CA LYS B 855 -18.395 5.373 2.685 1.00 0.00 C ATOM 1692 C LYS B 855 -18.511 6.337 1.499 1.00 0.00 C ATOM 1693 O LYS B 855 -19.274 7.304 1.540 1.00 0.00 O ATOM 1694 CB LYS B 855 -17.665 6.064 3.854 1.00 0.00 C ATOM 1695 CG LYS B 855 -18.425 7.247 4.467 1.00 0.00 C ATOM 1696 CD LYS B 855 -19.713 6.794 5.136 1.00 0.00 C ATOM 1697 CE LYS B 855 -20.485 7.966 5.722 1.00 0.00 C ATOM 1698 NZ LYS B 855 -20.944 8.913 4.670 1.00 0.00 N ATOM 0 H LYS B 855 -16.790 4.013 2.726 1.00 0.00 H new ATOM 0 HA LYS B 855 -19.397 5.098 3.015 1.00 0.00 H new ATOM 0 HB2 LYS B 855 -17.475 5.327 4.634 1.00 0.00 H new ATOM 0 HB3 LYS B 855 -16.694 6.414 3.503 1.00 0.00 H new ATOM 0 HG2 LYS B 855 -17.791 7.749 5.198 1.00 0.00 H new ATOM 0 HG3 LYS B 855 -18.654 7.976 3.690 1.00 0.00 H new ATOM 0 HD2 LYS B 855 -20.337 6.274 4.409 1.00 0.00 H new ATOM 0 HD3 LYS B 855 -19.481 6.080 5.926 1.00 0.00 H new ATOM 0 HE2 LYS B 855 -21.347 7.592 6.275 1.00 0.00 H new ATOM 0 HE3 LYS B 855 -19.854 8.495 6.436 1.00 0.00 H new ATOM 0 HZ1 LYS B 855 -21.643 9.569 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 855 -20.131 9.452 4.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 855 -21.379 8.381 3.890 1.00 0.00 H new ATOM 1712 N ASN B 856 -17.759 6.066 0.442 1.00 0.00 N ATOM 1713 CA ASN B 856 -17.782 6.913 -0.742 1.00 0.00 C ATOM 1714 C ASN B 856 -18.575 6.250 -1.859 1.00 0.00 C ATOM 1715 O ASN B 856 -18.518 5.038 -2.040 1.00 0.00 O ATOM 1716 CB ASN B 856 -16.365 7.204 -1.235 1.00 0.00 C ATOM 1717 CG ASN B 856 -16.351 8.234 -2.353 1.00 0.00 C ATOM 1718 OD1 ASN B 856 -17.165 9.158 -2.373 1.00 0.00 O ATOM 1719 ND2 ASN B 856 -15.438 8.074 -3.296 1.00 0.00 N ATOM 0 H ASN B 856 -17.127 5.268 0.380 1.00 0.00 H new ATOM 0 HA ASN B 856 -18.261 7.852 -0.466 1.00 0.00 H new ATOM 0 HB2 ASN B 856 -15.759 7.563 -0.404 1.00 0.00 H new ATOM 0 HB3 ASN B 856 -15.907 6.280 -1.588 1.00 0.00 H new ATOM 0 HD21 ASN B 856 -15.390 8.729 -4.076 1.00 0.00 H new ATOM 0 HD22 ASN B 856 -14.781 7.295 -3.243 1.00 0.00 H new ATOM 1726 N THR B 857 -19.319 7.047 -2.601 1.00 0.00 N ATOM 1727 CA THR B 857 -20.052 6.551 -3.744 1.00 0.00 C ATOM 1728 C THR B 857 -19.649 7.322 -5.001 1.00 0.00 C ATOM 1729 O THR B 857 -20.149 8.418 -5.249 1.00 0.00 O ATOM 1730 CB THR B 857 -21.570 6.669 -3.518 1.00 0.00 C ATOM 1731 OG1 THR B 857 -21.908 6.125 -2.234 1.00 0.00 O ATOM 1732 CG2 THR B 857 -22.343 5.930 -4.600 1.00 0.00 C ATOM 0 H THR B 857 -19.430 8.046 -2.429 1.00 0.00 H new ATOM 0 HA THR B 857 -19.806 5.497 -3.875 1.00 0.00 H new ATOM 0 HB THR B 857 -21.842 7.724 -3.559 1.00 0.00 H new ATOM 0 HG1 THR B 857 -22.874 6.202 -2.090 1.00 0.00 H new ATOM 0 HG21 THR B 857 -23.413 6.030 -4.416 1.00 0.00 H new ATOM 0 HG22 THR B 857 -22.101 6.355 -5.574 1.00 0.00 H new ATOM 0 HG23 THR B 857 -22.069 4.875 -4.586 1.00 0.00 H new ATOM 1740 N PRO B 858 -18.710 6.773 -5.788 1.00 0.00 N ATOM 1741 CA PRO B 858 -18.231 7.406 -7.019 1.00 0.00 C ATOM 1742 C PRO B 858 -19.302 7.429 -8.103 1.00 0.00 C ATOM 1743 O PRO B 858 -19.522 6.384 -8.749 1.00 0.00 O ATOM 1744 CB PRO B 858 -17.045 6.529 -7.453 1.00 0.00 C ATOM 1745 CG PRO B 858 -16.737 5.662 -6.279 1.00 0.00 C ATOM 1746 CD PRO B 858 -18.033 5.493 -5.542 1.00 0.00 C ATOM 1747 OXT PRO B 858 -19.931 8.492 -8.300 1.00 0.00 O ATOM 0 HA PRO B 858 -17.958 8.449 -6.857 1.00 0.00 H new ATOM 0 HB2 PRO B 858 -17.300 5.930 -8.327 1.00 0.00 H new ATOM 0 HB3 PRO B 858 -16.185 7.140 -7.726 1.00 0.00 H new ATOM 0 HG2 PRO B 858 -16.341 4.698 -6.598 1.00 0.00 H new ATOM 0 HG3 PRO B 858 -15.982 6.122 -5.641 1.00 0.00 H new ATOM 0 HD2 PRO B 858 -18.609 4.650 -5.923 1.00 0.00 H new ATOM 0 HD3 PRO B 858 -17.874 5.316 -4.478 1.00 0.00 H new TER 1755 PRO B 858