USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 592 HIS : no HE2:sc= 0.0869 X(o=-0.034,f=0.42) USER MOD Set 1.2: A 594 HIS : no HE2:sc= -0.158 X(o=-0.034,f=-0.022) USER MOD Set 1.3: A 640 TYR OH : rot -17:sc= 0.0367 USER MOD Single : A 589 LYS NZ :NH3+ 166:sc=-0.00374 (180deg=-0.162) USER MOD Single : A 596 THR OG1 : rot 180:sc=-0.00774 USER MOD Single : A 597 GLN :FLIP amide:sc= -0.181 F(o=-3.3!,f=-0.18) USER MOD Single : A 601 SER OG : rot -78:sc= 0.259 USER MOD Single : A 602 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 605 HIS : no HD1:sc= -0.362 X(o=-0.36,f=0.035) USER MOD Single : A 606 LYS NZ :NH3+ -178:sc= -0.0345 (180deg=-0.0414) USER MOD Single : A 609 GLN : amide:sc= 0.0651 X(o=0.065,f=-0.04) USER MOD Single : A 614 THR OG1 : rot 47:sc= 0.16 USER MOD Single : A 621 LYS NZ :NH3+ -175:sc= 0.5 (180deg=0.484) USER MOD Single : A 625 MET CE :methyl -139:sc= -0.0266 (180deg=-0.668) USER MOD Single : A 627 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 633 LYS NZ :NH3+ 163:sc= -0.0468 (180deg=-0.303) USER MOD Single : A 634 LYS NZ :NH3+ 171:sc= -0.022 (180deg=-0.179) USER MOD Single : A 639 MET CE :methyl 159:sc= -1.93 (180deg=-3.12!) USER MOD Single : A 642 SER OG : rot 170:sc= 0 USER MOD Single : A 644 ASN :FLIP amide:sc= -0.0961 F(o=-1.5!,f=-0.096) USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 649 TYR OH : rot 30:sc= 0 USER MOD Single : A 650 TYR OH : rot 180:sc= 0 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 656 LYS NZ :NH3+ -164:sc= 1.04 (180deg=0.995) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 661 GLN :FLIP amide:sc= -0.214 F(o=-1.7,f=-0.21) USER MOD Single : A 662 LYS NZ :NH3+ -152:sc= 0.974 (180deg=0.441) USER MOD Single : A 667 LYS NZ :NH3+ -156:sc= 1.25 (180deg=0.0168!) USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : B 843 ASN : amide:sc= 0.345 K(o=0.34,f=-2.7!) USER MOD Single : B 847 SER OG : rot 180:sc= 0 USER MOD Single : B 850 MET CE :methyl 151:sc= -2.02! (180deg=-3.62!) USER MOD Single : B 855 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 856 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 857 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 586 24.705 14.619 -2.107 1.00 0.00 N ATOM 2 CA GLY A 586 24.721 13.592 -1.074 1.00 0.00 C ATOM 3 C GLY A 586 26.126 13.130 -0.727 1.00 0.00 C ATOM 4 O GLY A 586 27.016 13.110 -1.582 1.00 0.00 O ATOM 0 HA2 GLY A 586 24.238 13.978 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 586 24.134 12.737 -1.409 1.00 0.00 H new ATOM 8 N VAL A 587 26.332 12.770 0.527 1.00 0.00 N ATOM 9 CA VAL A 587 27.654 12.384 0.994 1.00 0.00 C ATOM 10 C VAL A 587 27.913 10.898 0.763 1.00 0.00 C ATOM 11 O VAL A 587 27.058 10.192 0.220 1.00 0.00 O ATOM 12 CB VAL A 587 27.856 12.729 2.486 1.00 0.00 C ATOM 13 CG1 VAL A 587 27.850 14.236 2.691 1.00 0.00 C ATOM 14 CG2 VAL A 587 26.788 12.073 3.344 1.00 0.00 C ATOM 0 H VAL A 587 25.603 12.736 1.240 1.00 0.00 H new ATOM 0 HA VAL A 587 28.374 12.958 0.410 1.00 0.00 H new ATOM 0 HB VAL A 587 28.826 12.340 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 587 27.994 14.460 3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 587 28.657 14.685 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 587 26.895 14.644 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 587 26.952 12.331 4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 587 25.804 12.426 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 587 26.840 10.991 3.225 1.00 0.00 H new ATOM 24 N ARG A 588 29.081 10.426 1.177 1.00 0.00 N ATOM 25 CA ARG A 588 29.458 9.031 0.967 1.00 0.00 C ATOM 26 C ARG A 588 28.562 8.084 1.770 1.00 0.00 C ATOM 27 O ARG A 588 28.432 6.909 1.426 1.00 0.00 O ATOM 28 CB ARG A 588 30.953 8.807 1.298 1.00 0.00 C ATOM 29 CG ARG A 588 31.350 9.078 2.748 1.00 0.00 C ATOM 30 CD ARG A 588 31.071 7.888 3.649 1.00 0.00 C ATOM 31 NE ARG A 588 31.289 8.205 5.057 1.00 0.00 N ATOM 32 CZ ARG A 588 31.102 7.338 6.049 1.00 0.00 C ATOM 33 NH1 ARG A 588 30.731 6.089 5.785 1.00 0.00 N ATOM 34 NH2 ARG A 588 31.291 7.716 7.307 1.00 0.00 N ATOM 0 H ARG A 588 29.784 10.986 1.660 1.00 0.00 H new ATOM 0 HA ARG A 588 29.311 8.801 -0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 588 31.211 7.776 1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 588 31.551 9.447 0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 588 32.411 9.325 2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 588 30.804 9.947 3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 588 30.042 7.559 3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 588 31.714 7.056 3.361 1.00 0.00 H new ATOM 0 HE ARG A 588 31.603 9.146 5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 588 30.589 5.793 4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 588 30.589 5.427 6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 588 31.580 8.672 7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 588 31.147 7.051 8.067 1.00 0.00 H new ATOM 48 N LYS A 589 27.935 8.595 2.830 1.00 0.00 N ATOM 49 CA LYS A 589 27.013 7.780 3.619 1.00 0.00 C ATOM 50 C LYS A 589 25.817 7.389 2.751 1.00 0.00 C ATOM 51 O LYS A 589 25.233 8.226 2.055 1.00 0.00 O ATOM 52 CB LYS A 589 26.596 8.504 4.930 1.00 0.00 C ATOM 53 CG LYS A 589 25.094 8.580 5.209 1.00 0.00 C ATOM 54 CD LYS A 589 24.455 9.806 4.571 1.00 0.00 C ATOM 55 CE LYS A 589 23.016 10.001 5.030 1.00 0.00 C ATOM 56 NZ LYS A 589 22.927 10.374 6.468 1.00 0.00 N ATOM 0 H LYS A 589 28.046 9.554 3.158 1.00 0.00 H new ATOM 0 HA LYS A 589 27.514 6.865 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 589 27.075 7.998 5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 589 26.991 9.519 4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 589 24.609 7.680 4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 589 24.926 8.603 6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 589 25.039 10.692 4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 589 24.479 9.705 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 589 22.546 10.777 4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 589 22.455 9.082 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 21.970 10.724 6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 23.127 9.540 7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 23.622 11.119 6.677 1.00 0.00 H new ATOM 70 N GLY A 590 25.480 6.110 2.770 1.00 0.00 N ATOM 71 CA GLY A 590 24.480 5.594 1.875 1.00 0.00 C ATOM 72 C GLY A 590 24.240 4.120 2.094 1.00 0.00 C ATOM 73 O GLY A 590 24.742 3.278 1.355 1.00 0.00 O ATOM 0 H GLY A 590 25.889 5.418 3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 590 23.547 6.140 2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 590 24.793 5.762 0.844 1.00 0.00 H new ATOM 77 N TRP A 591 23.485 3.812 3.130 1.00 0.00 N ATOM 78 CA TRP A 591 23.119 2.434 3.430 1.00 0.00 C ATOM 79 C TRP A 591 21.982 2.000 2.509 1.00 0.00 C ATOM 80 O TRP A 591 21.995 0.911 1.940 1.00 0.00 O ATOM 81 CB TRP A 591 22.659 2.285 4.890 1.00 0.00 C ATOM 82 CG TRP A 591 22.805 3.523 5.738 1.00 0.00 C ATOM 83 CD1 TRP A 591 23.705 3.727 6.747 1.00 0.00 C ATOM 84 CD2 TRP A 591 22.016 4.722 5.659 1.00 0.00 C ATOM 85 NE1 TRP A 591 23.512 4.970 7.306 1.00 0.00 N ATOM 86 CE2 TRP A 591 22.485 5.598 6.653 1.00 0.00 C ATOM 87 CE3 TRP A 591 20.955 5.133 4.850 1.00 0.00 C ATOM 88 CZ2 TRP A 591 21.930 6.863 6.852 1.00 0.00 C ATOM 89 CZ3 TRP A 591 20.408 6.384 5.047 1.00 0.00 C ATOM 90 CH2 TRP A 591 20.895 7.236 6.042 1.00 0.00 C ATOM 0 H TRP A 591 23.109 4.499 3.784 1.00 0.00 H new ATOM 0 HA TRP A 591 23.998 1.808 3.275 1.00 0.00 H new ATOM 0 HB2 TRP A 591 21.612 1.982 4.895 1.00 0.00 H new ATOM 0 HB3 TRP A 591 23.227 1.478 5.353 1.00 0.00 H new ATOM 0 HD1 TRP A 591 24.457 3.017 7.059 1.00 0.00 H new ATOM 0 HE1 TRP A 591 24.047 5.360 8.081 1.00 0.00 H new ATOM 0 HE3 TRP A 591 20.568 4.481 4.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 591 22.306 7.524 7.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 591 19.590 6.710 4.422 1.00 0.00 H new ATOM 0 HH2 TRP A 591 20.444 8.209 6.173 1.00 0.00 H new ATOM 101 N HIS A 592 21.007 2.886 2.362 1.00 0.00 N ATOM 102 CA HIS A 592 19.796 2.606 1.600 1.00 0.00 C ATOM 103 C HIS A 592 20.010 2.756 0.106 1.00 0.00 C ATOM 104 O HIS A 592 19.067 2.603 -0.653 1.00 0.00 O ATOM 105 CB HIS A 592 18.641 3.523 2.028 1.00 0.00 C ATOM 106 CG HIS A 592 17.946 3.095 3.280 1.00 0.00 C ATOM 107 ND1 HIS A 592 17.926 3.851 4.434 1.00 0.00 N ATOM 108 CD2 HIS A 592 17.222 1.986 3.548 1.00 0.00 C ATOM 109 CE1 HIS A 592 17.227 3.221 5.357 1.00 0.00 C ATOM 110 NE2 HIS A 592 16.788 2.088 4.846 1.00 0.00 N ATOM 0 H HIS A 592 21.033 3.821 2.768 1.00 0.00 H new ATOM 0 HA HIS A 592 19.539 1.569 1.815 1.00 0.00 H new ATOM 0 HB2 HIS A 592 19.027 4.533 2.168 1.00 0.00 H new ATOM 0 HB3 HIS A 592 17.911 3.570 1.220 1.00 0.00 H new ATOM 0 HD1 HIS A 592 18.381 4.756 4.554 1.00 0.00 H new ATOM 0 HD2 HIS A 592 17.022 1.171 2.868 1.00 0.00 H new ATOM 0 HE1 HIS A 592 17.045 3.573 6.362 1.00 0.00 H new ATOM 119 N GLU A 593 21.237 3.050 -0.312 1.00 0.00 N ATOM 120 CA GLU A 593 21.524 3.350 -1.715 1.00 0.00 C ATOM 121 C GLU A 593 20.968 2.286 -2.674 1.00 0.00 C ATOM 122 O GLU A 593 20.537 2.616 -3.776 1.00 0.00 O ATOM 123 CB GLU A 593 23.034 3.560 -1.914 1.00 0.00 C ATOM 124 CG GLU A 593 23.913 2.362 -1.566 1.00 0.00 C ATOM 125 CD GLU A 593 24.093 1.400 -2.723 1.00 0.00 C ATOM 126 OE1 GLU A 593 24.614 1.817 -3.776 1.00 0.00 O ATOM 127 OE2 GLU A 593 23.712 0.222 -2.587 1.00 0.00 O ATOM 0 H GLU A 593 22.052 3.088 0.300 1.00 0.00 H new ATOM 0 HA GLU A 593 21.007 4.277 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 593 23.212 3.830 -2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 593 23.349 4.409 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 593 24.891 2.718 -1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 593 23.473 1.829 -0.723 1.00 0.00 H new ATOM 134 N HIS A 594 20.992 1.015 -2.263 1.00 0.00 N ATOM 135 CA HIS A 594 20.389 -0.070 -3.066 1.00 0.00 C ATOM 136 C HIS A 594 18.901 0.172 -3.393 1.00 0.00 C ATOM 137 O HIS A 594 18.338 -0.528 -4.238 1.00 0.00 O ATOM 138 CB HIS A 594 20.556 -1.453 -2.390 1.00 0.00 C ATOM 139 CG HIS A 594 19.843 -1.597 -1.074 1.00 0.00 C ATOM 140 ND1 HIS A 594 18.792 -2.468 -0.884 1.00 0.00 N ATOM 141 CD2 HIS A 594 20.037 -0.985 0.119 1.00 0.00 C ATOM 142 CE1 HIS A 594 18.371 -2.384 0.365 1.00 0.00 C ATOM 143 NE2 HIS A 594 19.110 -1.491 0.996 1.00 0.00 N ATOM 0 H HIS A 594 21.417 0.707 -1.388 1.00 0.00 H new ATOM 0 HA HIS A 594 20.939 -0.067 -4.007 1.00 0.00 H new ATOM 0 HB2 HIS A 594 20.192 -2.222 -3.071 1.00 0.00 H new ATOM 0 HB3 HIS A 594 21.618 -1.641 -2.235 1.00 0.00 H new ATOM 0 HD1 HIS A 594 18.400 -3.082 -1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 594 20.784 -0.237 0.340 1.00 0.00 H new ATOM 0 HE1 HIS A 594 17.559 -2.950 0.797 1.00 0.00 H new ATOM 152 N VAL A 595 18.271 1.147 -2.739 1.00 0.00 N ATOM 153 CA VAL A 595 16.884 1.488 -3.012 1.00 0.00 C ATOM 154 C VAL A 595 16.722 3.004 -3.039 1.00 0.00 C ATOM 155 O VAL A 595 17.200 3.702 -2.150 1.00 0.00 O ATOM 156 CB VAL A 595 15.934 0.886 -1.947 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.534 1.481 -2.042 1.00 0.00 C ATOM 158 CG2 VAL A 595 15.876 -0.627 -2.078 1.00 0.00 C ATOM 0 H VAL A 595 18.706 1.715 -2.013 1.00 0.00 H new ATOM 0 HA VAL A 595 16.619 1.068 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 595 16.337 1.140 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 595 13.896 1.034 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.585 2.559 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 595 14.118 1.276 -3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 595 15.204 -1.032 -1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.509 -0.893 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 595 16.874 -1.043 -1.937 1.00 0.00 H new ATOM 168 N THR A 596 16.049 3.515 -4.051 1.00 0.00 N ATOM 169 CA THR A 596 15.804 4.940 -4.130 1.00 0.00 C ATOM 170 C THR A 596 14.483 5.285 -3.454 1.00 0.00 C ATOM 171 O THR A 596 13.566 4.459 -3.409 1.00 0.00 O ATOM 172 CB THR A 596 15.811 5.446 -5.594 1.00 0.00 C ATOM 173 OG1 THR A 596 15.354 6.804 -5.657 1.00 0.00 O ATOM 174 CG2 THR A 596 14.947 4.573 -6.491 1.00 0.00 C ATOM 0 H THR A 596 15.665 2.970 -4.823 1.00 0.00 H new ATOM 0 HA THR A 596 16.616 5.445 -3.607 1.00 0.00 H new ATOM 0 HB THR A 596 16.839 5.393 -5.953 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.366 7.110 -6.588 1.00 0.00 H new ATOM 0 HG21 THR A 596 14.976 4.958 -7.510 1.00 0.00 H new ATOM 0 HG22 THR A 596 15.326 3.551 -6.478 1.00 0.00 H new ATOM 0 HG23 THR A 596 13.919 4.583 -6.128 1.00 0.00 H new ATOM 182 N GLN A 597 14.393 6.495 -2.918 1.00 0.00 N ATOM 183 CA GLN A 597 13.184 6.955 -2.255 1.00 0.00 C ATOM 184 C GLN A 597 12.015 6.912 -3.230 1.00 0.00 C ATOM 185 O GLN A 597 10.890 6.564 -2.862 1.00 0.00 O ATOM 186 CB GLN A 597 13.380 8.375 -1.710 1.00 0.00 C ATOM 187 CG GLN A 597 12.190 8.908 -0.922 1.00 0.00 C ATOM 188 CD GLN A 597 12.137 8.421 0.521 1.00 0.00 C ATOM 189 OE1 GLN A 597 12.696 7.252 0.796 1.00 0.00 O flip ATOM 190 NE2 GLN A 597 11.608 9.107 1.392 1.00 0.00 N flip ATOM 0 H GLN A 597 15.150 7.179 -2.931 1.00 0.00 H new ATOM 0 HA GLN A 597 12.966 6.296 -1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 597 14.262 8.388 -1.069 1.00 0.00 H new ATOM 0 HB3 GLN A 597 13.581 9.048 -2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 597 12.222 9.998 -0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 597 11.270 8.614 -1.428 1.00 0.00 H new ATOM 0 HE21 GLN A 597 11.186 10.003 1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 597 11.591 8.780 2.358 1.00 0.00 H new ATOM 199 N ASP A 598 12.299 7.263 -4.478 1.00 0.00 N ATOM 200 CA ASP A 598 11.296 7.248 -5.533 1.00 0.00 C ATOM 201 C ASP A 598 10.685 5.856 -5.686 1.00 0.00 C ATOM 202 O ASP A 598 9.482 5.725 -5.894 1.00 0.00 O ATOM 203 CB ASP A 598 11.892 7.717 -6.861 1.00 0.00 C ATOM 204 CG ASP A 598 10.873 7.711 -7.984 1.00 0.00 C ATOM 205 OD1 ASP A 598 9.926 8.528 -7.943 1.00 0.00 O ATOM 206 OD2 ASP A 598 11.014 6.893 -8.915 1.00 0.00 O ATOM 0 H ASP A 598 13.224 7.564 -4.785 1.00 0.00 H new ATOM 0 HA ASP A 598 10.504 7.941 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.292 8.724 -6.742 1.00 0.00 H new ATOM 0 HB3 ASP A 598 12.729 7.072 -7.129 1.00 0.00 H new ATOM 211 N LEU A 599 11.515 4.818 -5.586 1.00 0.00 N ATOM 212 CA LEU A 599 11.034 3.444 -5.663 1.00 0.00 C ATOM 213 C LEU A 599 9.985 3.171 -4.590 1.00 0.00 C ATOM 214 O LEU A 599 8.881 2.720 -4.890 1.00 0.00 O ATOM 215 CB LEU A 599 12.203 2.464 -5.485 1.00 0.00 C ATOM 216 CG LEU A 599 11.891 1.021 -5.865 1.00 0.00 C ATOM 217 CD1 LEU A 599 11.611 0.936 -7.350 1.00 0.00 C ATOM 218 CD2 LEU A 599 13.037 0.103 -5.476 1.00 0.00 C ATOM 0 H LEU A 599 12.522 4.905 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 599 10.580 3.303 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 599 13.043 2.810 -6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.525 2.489 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 599 11.005 0.694 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 599 11.388 -0.096 -7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.757 1.568 -7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 599 12.485 1.275 -7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.793 -0.922 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.944 0.415 -5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 599 13.197 0.157 -4.399 1.00 0.00 H new ATOM 230 N ARG A 600 10.331 3.485 -3.349 1.00 0.00 N ATOM 231 CA ARG A 600 9.449 3.229 -2.215 1.00 0.00 C ATOM 232 C ARG A 600 8.172 4.055 -2.298 1.00 0.00 C ATOM 233 O ARG A 600 7.073 3.530 -2.129 1.00 0.00 O ATOM 234 CB ARG A 600 10.175 3.506 -0.899 1.00 0.00 C ATOM 235 CG ARG A 600 11.315 2.539 -0.629 1.00 0.00 C ATOM 236 CD ARG A 600 12.013 2.843 0.686 1.00 0.00 C ATOM 237 NE ARG A 600 11.103 2.762 1.827 1.00 0.00 N ATOM 238 CZ ARG A 600 11.462 2.360 3.046 1.00 0.00 C ATOM 239 NH1 ARG A 600 12.714 1.982 3.292 1.00 0.00 N ATOM 240 NH2 ARG A 600 10.563 2.344 4.019 1.00 0.00 N ATOM 0 H ARG A 600 11.220 3.919 -3.100 1.00 0.00 H new ATOM 0 HA ARG A 600 9.167 2.177 -2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.566 4.523 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.459 3.452 -0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 600 10.930 1.520 -0.609 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.037 2.591 -1.444 1.00 0.00 H new ATOM 0 HD2 ARG A 600 12.835 2.142 0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.449 3.841 0.642 1.00 0.00 H new ATOM 0 HE ARG A 600 10.130 3.031 1.681 1.00 0.00 H new ATOM 0 HH11 ARG A 600 13.408 1.998 2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 600 12.980 1.676 4.228 1.00 0.00 H new ATOM 0 HH21 ARG A 600 9.604 2.638 3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 600 10.830 2.038 4.955 1.00 0.00 H new ATOM 254 N SER A 601 8.317 5.341 -2.585 1.00 0.00 N ATOM 255 CA SER A 601 7.175 6.239 -2.640 1.00 0.00 C ATOM 256 C SER A 601 6.223 5.842 -3.767 1.00 0.00 C ATOM 257 O SER A 601 5.002 5.876 -3.601 1.00 0.00 O ATOM 258 CB SER A 601 7.646 7.683 -2.813 1.00 0.00 C ATOM 259 OG SER A 601 8.530 7.803 -3.915 1.00 0.00 O ATOM 0 H SER A 601 9.214 5.784 -2.783 1.00 0.00 H new ATOM 0 HA SER A 601 6.630 6.161 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 601 6.785 8.334 -2.961 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.146 8.017 -1.904 1.00 0.00 H new ATOM 0 HG SER A 601 9.420 7.483 -3.657 1.00 0.00 H new ATOM 265 N HIS A 602 6.791 5.456 -4.909 1.00 0.00 N ATOM 266 CA HIS A 602 5.996 5.041 -6.064 1.00 0.00 C ATOM 267 C HIS A 602 5.083 3.877 -5.687 1.00 0.00 C ATOM 268 O HIS A 602 3.904 3.851 -6.042 1.00 0.00 O ATOM 269 CB HIS A 602 6.904 4.633 -7.228 1.00 0.00 C ATOM 270 CG HIS A 602 6.218 4.648 -8.558 1.00 0.00 C ATOM 271 ND1 HIS A 602 6.319 5.703 -9.441 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.426 3.730 -9.161 1.00 0.00 C ATOM 273 CE1 HIS A 602 5.617 5.432 -10.526 1.00 0.00 C ATOM 274 NE2 HIS A 602 5.069 4.242 -10.382 1.00 0.00 N ATOM 0 H HIS A 602 7.799 5.422 -5.059 1.00 0.00 H new ATOM 0 HA HIS A 602 5.385 5.887 -6.378 1.00 0.00 H new ATOM 0 HB2 HIS A 602 7.760 5.306 -7.263 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.293 3.632 -7.041 1.00 0.00 H new ATOM 0 HD2 HIS A 602 5.131 2.773 -8.756 1.00 0.00 H new ATOM 0 HE1 HIS A 602 5.510 6.076 -11.386 1.00 0.00 H new ATOM 0 HE2 HIS A 602 4.475 3.777 -11.068 1.00 0.00 H new ATOM 283 N LEU A 603 5.643 2.927 -4.952 1.00 0.00 N ATOM 284 CA LEU A 603 4.904 1.758 -4.491 1.00 0.00 C ATOM 285 C LEU A 603 3.785 2.164 -3.535 1.00 0.00 C ATOM 286 O LEU A 603 2.688 1.607 -3.577 1.00 0.00 O ATOM 287 CB LEU A 603 5.855 0.766 -3.820 1.00 0.00 C ATOM 288 CG LEU A 603 7.057 0.358 -4.680 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.083 -0.401 -3.856 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.603 -0.479 -5.869 1.00 0.00 C ATOM 0 H LEU A 603 6.620 2.943 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 603 4.447 1.275 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.221 1.204 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.295 -0.130 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 603 7.529 1.266 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 603 8.925 -0.679 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.435 0.231 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.626 -1.301 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.469 -0.760 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 603 6.103 -1.379 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 603 5.912 0.102 -6.480 1.00 0.00 H new ATOM 302 N VAL A 604 4.066 3.152 -2.690 1.00 0.00 N ATOM 303 CA VAL A 604 3.095 3.620 -1.707 1.00 0.00 C ATOM 304 C VAL A 604 1.877 4.234 -2.396 1.00 0.00 C ATOM 305 O VAL A 604 0.737 3.940 -2.036 1.00 0.00 O ATOM 306 CB VAL A 604 3.714 4.657 -0.740 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.650 5.260 0.164 1.00 0.00 C ATOM 308 CG2 VAL A 604 4.809 4.015 0.098 1.00 0.00 C ATOM 0 H VAL A 604 4.959 3.644 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 604 2.784 2.750 -1.128 1.00 0.00 H new ATOM 0 HB VAL A 604 4.151 5.457 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.111 5.986 0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 604 1.894 5.757 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.181 4.470 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.234 4.758 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.388 3.195 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.591 3.631 -0.557 1.00 0.00 H new ATOM 318 N HIS A 605 2.119 5.072 -3.406 1.00 0.00 N ATOM 319 CA HIS A 605 1.021 5.699 -4.149 1.00 0.00 C ATOM 320 C HIS A 605 0.194 4.635 -4.857 1.00 0.00 C ATOM 321 O HIS A 605 -1.029 4.733 -4.929 1.00 0.00 O ATOM 322 CB HIS A 605 1.517 6.725 -5.176 1.00 0.00 C ATOM 323 CG HIS A 605 2.190 7.928 -4.583 1.00 0.00 C ATOM 324 ND1 HIS A 605 1.500 8.978 -4.014 1.00 0.00 N ATOM 325 CD2 HIS A 605 3.501 8.254 -4.488 1.00 0.00 C ATOM 326 CE1 HIS A 605 2.357 9.892 -3.599 1.00 0.00 C ATOM 327 NE2 HIS A 605 3.578 9.477 -3.874 1.00 0.00 N ATOM 0 H HIS A 605 3.052 5.331 -3.726 1.00 0.00 H new ATOM 0 HA HIS A 605 0.408 6.230 -3.421 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.214 6.233 -5.854 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.670 7.058 -5.776 1.00 0.00 H new ATOM 0 HD2 HIS A 605 4.334 7.659 -4.833 1.00 0.00 H new ATOM 0 HE1 HIS A 605 2.101 10.823 -3.115 1.00 0.00 H new ATOM 0 HE2 HIS A 605 4.438 9.983 -3.664 1.00 0.00 H new ATOM 336 N LYS A 606 0.875 3.626 -5.391 1.00 0.00 N ATOM 337 CA LYS A 606 0.209 2.521 -6.070 1.00 0.00 C ATOM 338 C LYS A 606 -0.708 1.773 -5.101 1.00 0.00 C ATOM 339 O LYS A 606 -1.813 1.366 -5.466 1.00 0.00 O ATOM 340 CB LYS A 606 1.245 1.568 -6.673 1.00 0.00 C ATOM 341 CG LYS A 606 0.648 0.543 -7.625 1.00 0.00 C ATOM 342 CD LYS A 606 1.718 -0.363 -8.216 1.00 0.00 C ATOM 343 CE LYS A 606 1.149 -1.276 -9.295 1.00 0.00 C ATOM 344 NZ LYS A 606 0.098 -2.188 -8.769 1.00 0.00 N ATOM 0 H LYS A 606 1.892 3.551 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.402 2.925 -6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 606 1.997 2.151 -7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 606 1.759 1.046 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 606 -0.089 -0.061 -7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 606 0.120 1.056 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 606 2.518 0.245 -8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 606 2.161 -0.967 -7.424 1.00 0.00 H new ATOM 0 HE2 LYS A 606 0.731 -0.669 -10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 606 1.955 -1.867 -9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 -0.234 -2.812 -9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 0.492 -2.764 -7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -0.700 -1.627 -8.409 1.00 0.00 H new ATOM 358 N LEU A 607 -0.238 1.588 -3.871 1.00 0.00 N ATOM 359 CA LEU A 607 -1.039 0.958 -2.827 1.00 0.00 C ATOM 360 C LEU A 607 -2.249 1.838 -2.498 1.00 0.00 C ATOM 361 O LEU A 607 -3.368 1.343 -2.362 1.00 0.00 O ATOM 362 CB LEU A 607 -0.175 0.710 -1.583 1.00 0.00 C ATOM 363 CG LEU A 607 -0.708 -0.332 -0.593 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.411 -0.806 0.315 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.844 0.236 0.241 1.00 0.00 C ATOM 0 H LEU A 607 0.697 1.867 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.406 -0.005 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.817 0.398 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 607 -0.054 1.656 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 607 -1.093 -1.177 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 607 0.023 -1.546 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 607 1.202 -1.255 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 607 0.813 0.042 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.202 -0.525 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.487 1.099 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.659 0.542 -0.415 1.00 0.00 H new ATOM 377 N VAL A 608 -2.015 3.143 -2.382 1.00 0.00 N ATOM 378 CA VAL A 608 -3.098 4.115 -2.225 1.00 0.00 C ATOM 379 C VAL A 608 -4.106 3.980 -3.368 1.00 0.00 C ATOM 380 O VAL A 608 -5.319 3.955 -3.149 1.00 0.00 O ATOM 381 CB VAL A 608 -2.538 5.559 -2.203 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.655 6.596 -2.250 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.666 5.772 -0.976 1.00 0.00 C ATOM 0 H VAL A 608 -1.082 3.555 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.597 3.912 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.928 5.690 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.223 7.597 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.234 6.466 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.307 6.467 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.281 6.792 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -2.258 5.608 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.833 5.069 -0.995 1.00 0.00 H new ATOM 393 N GLN A 609 -3.581 3.869 -4.584 1.00 0.00 N ATOM 394 CA GLN A 609 -4.395 3.696 -5.781 1.00 0.00 C ATOM 395 C GLN A 609 -5.259 2.446 -5.664 1.00 0.00 C ATOM 396 O GLN A 609 -6.411 2.435 -6.092 1.00 0.00 O ATOM 397 CB GLN A 609 -3.491 3.632 -7.024 1.00 0.00 C ATOM 398 CG GLN A 609 -4.232 3.569 -8.353 1.00 0.00 C ATOM 399 CD GLN A 609 -4.367 2.159 -8.903 1.00 0.00 C ATOM 400 OE1 GLN A 609 -3.509 1.691 -9.649 1.00 0.00 O ATOM 401 NE2 GLN A 609 -5.438 1.471 -8.542 1.00 0.00 N ATOM 0 H GLN A 609 -2.578 3.897 -4.767 1.00 0.00 H new ATOM 0 HA GLN A 609 -5.062 4.552 -5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.841 4.507 -7.028 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.847 2.757 -6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -5.226 3.998 -8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -3.708 4.187 -9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -6.129 1.892 -7.921 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -5.572 0.520 -8.884 1.00 0.00 H new ATOM 410 N ALA A 610 -4.691 1.393 -5.088 1.00 0.00 N ATOM 411 CA ALA A 610 -5.402 0.136 -4.919 1.00 0.00 C ATOM 412 C ALA A 610 -6.655 0.316 -4.064 1.00 0.00 C ATOM 413 O ALA A 610 -7.711 -0.240 -4.374 1.00 0.00 O ATOM 414 CB ALA A 610 -4.488 -0.916 -4.308 1.00 0.00 C ATOM 0 H ALA A 610 -3.736 1.387 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.717 -0.204 -5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -5.037 -1.850 -4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.632 -1.079 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.139 -0.573 -3.334 1.00 0.00 H new ATOM 420 N ILE A 611 -6.545 1.113 -3.004 1.00 0.00 N ATOM 421 CA ILE A 611 -7.674 1.329 -2.103 1.00 0.00 C ATOM 422 C ILE A 611 -8.633 2.365 -2.694 1.00 0.00 C ATOM 423 O ILE A 611 -9.847 2.267 -2.513 1.00 0.00 O ATOM 424 CB ILE A 611 -7.211 1.806 -0.668 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.309 0.766 0.037 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.403 2.154 0.232 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.382 1.373 1.068 1.00 0.00 C ATOM 0 H ILE A 611 -5.695 1.615 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 611 -8.181 0.370 -1.993 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.623 2.709 -0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -6.938 0.019 0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.714 0.244 -0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -8.040 2.477 1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.981 2.958 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -9.036 1.275 0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.779 0.587 1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.728 2.099 0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.971 1.870 1.839 1.00 0.00 H new ATOM 439 N PHE A 612 -8.098 3.327 -3.433 1.00 0.00 N ATOM 440 CA PHE A 612 -8.901 4.421 -3.950 1.00 0.00 C ATOM 441 C PHE A 612 -8.216 5.010 -5.182 1.00 0.00 C ATOM 442 O PHE A 612 -7.358 5.884 -5.065 1.00 0.00 O ATOM 443 CB PHE A 612 -9.087 5.481 -2.859 1.00 0.00 C ATOM 444 CG PHE A 612 -10.143 6.506 -3.159 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.417 6.120 -3.541 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.862 7.856 -3.046 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.391 7.062 -3.805 1.00 0.00 C ATOM 448 CE2 PHE A 612 -10.832 8.804 -3.306 1.00 0.00 C ATOM 449 CZ PHE A 612 -12.098 8.407 -3.688 1.00 0.00 C ATOM 0 H PHE A 612 -7.111 3.370 -3.687 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.886 4.058 -4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -9.339 4.981 -1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -8.137 5.992 -2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.651 5.070 -3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -8.872 8.172 -2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.381 6.748 -4.103 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -10.601 9.855 -3.211 1.00 0.00 H new ATOM 0 HZ PHE A 612 -12.858 9.146 -3.895 1.00 0.00 H new ATOM 459 N PRO A 613 -8.578 4.528 -6.383 1.00 0.00 N ATOM 460 CA PRO A 613 -7.848 4.866 -7.611 1.00 0.00 C ATOM 461 C PRO A 613 -8.124 6.281 -8.102 1.00 0.00 C ATOM 462 O PRO A 613 -7.242 6.928 -8.662 1.00 0.00 O ATOM 463 CB PRO A 613 -8.351 3.835 -8.628 1.00 0.00 C ATOM 464 CG PRO A 613 -9.694 3.402 -8.130 1.00 0.00 C ATOM 465 CD PRO A 613 -9.720 3.619 -6.634 1.00 0.00 C ATOM 0 HA PRO A 613 -6.770 4.838 -7.451 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -8.424 4.271 -9.625 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -7.668 2.989 -8.699 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.485 3.976 -8.614 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -9.870 2.353 -8.368 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.662 4.063 -6.312 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.609 2.680 -6.093 1.00 0.00 H new ATOM 473 N THR A 614 -9.338 6.760 -7.877 1.00 0.00 N ATOM 474 CA THR A 614 -9.745 8.076 -8.354 1.00 0.00 C ATOM 475 C THR A 614 -9.105 9.191 -7.524 1.00 0.00 C ATOM 476 O THR A 614 -9.469 9.396 -6.365 1.00 0.00 O ATOM 477 CB THR A 614 -11.278 8.212 -8.316 1.00 0.00 C ATOM 478 OG1 THR A 614 -11.771 7.721 -7.064 1.00 0.00 O ATOM 479 CG2 THR A 614 -11.916 7.433 -9.458 1.00 0.00 C ATOM 0 H THR A 614 -10.062 6.256 -7.365 1.00 0.00 H new ATOM 0 HA THR A 614 -9.401 8.175 -9.384 1.00 0.00 H new ATOM 0 HB THR A 614 -11.538 9.265 -8.427 1.00 0.00 H new ATOM 0 HG1 THR A 614 -11.236 8.095 -6.333 1.00 0.00 H new ATOM 0 HG21 THR A 614 -13.000 7.543 -9.412 1.00 0.00 H new ATOM 0 HG22 THR A 614 -11.552 7.819 -10.410 1.00 0.00 H new ATOM 0 HG23 THR A 614 -11.654 6.379 -9.370 1.00 0.00 H new ATOM 487 N PRO A 615 -8.135 9.924 -8.101 1.00 0.00 N ATOM 488 CA PRO A 615 -7.429 11.000 -7.402 1.00 0.00 C ATOM 489 C PRO A 615 -8.241 12.289 -7.383 1.00 0.00 C ATOM 490 O PRO A 615 -7.955 13.228 -8.125 1.00 0.00 O ATOM 491 CB PRO A 615 -6.141 11.191 -8.228 1.00 0.00 C ATOM 492 CG PRO A 615 -6.182 10.129 -9.297 1.00 0.00 C ATOM 493 CD PRO A 615 -7.636 9.790 -9.476 1.00 0.00 C ATOM 0 HA PRO A 615 -7.241 10.754 -6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -6.102 12.188 -8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -5.255 11.083 -7.602 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -5.747 10.493 -10.228 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -5.609 9.251 -8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -8.136 10.473 -10.163 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -7.778 8.783 -9.868 1.00 0.00 H new ATOM 501 N ASP A 616 -9.258 12.327 -6.536 1.00 0.00 N ATOM 502 CA ASP A 616 -10.110 13.508 -6.415 1.00 0.00 C ATOM 503 C ASP A 616 -9.355 14.619 -5.691 1.00 0.00 C ATOM 504 O ASP A 616 -8.854 14.412 -4.588 1.00 0.00 O ATOM 505 CB ASP A 616 -11.401 13.174 -5.650 1.00 0.00 C ATOM 506 CG ASP A 616 -12.323 14.371 -5.535 1.00 0.00 C ATOM 507 OD1 ASP A 616 -12.176 15.151 -4.571 1.00 0.00 O ATOM 508 OD2 ASP A 616 -13.198 14.543 -6.411 1.00 0.00 O ATOM 0 H ASP A 616 -9.516 11.556 -5.921 1.00 0.00 H new ATOM 0 HA ASP A 616 -10.378 13.843 -7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -11.923 12.363 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -11.148 12.815 -4.652 1.00 0.00 H new ATOM 513 N PRO A 617 -9.259 15.809 -6.317 1.00 0.00 N ATOM 514 CA PRO A 617 -8.465 16.936 -5.796 1.00 0.00 C ATOM 515 C PRO A 617 -8.862 17.368 -4.384 1.00 0.00 C ATOM 516 O PRO A 617 -8.043 17.920 -3.648 1.00 0.00 O ATOM 517 CB PRO A 617 -8.740 18.076 -6.794 1.00 0.00 C ATOM 518 CG PRO A 617 -9.948 17.652 -7.554 1.00 0.00 C ATOM 519 CD PRO A 617 -9.902 16.153 -7.597 1.00 0.00 C ATOM 0 HA PRO A 617 -7.414 16.658 -5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -8.913 19.019 -6.276 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -7.891 18.229 -7.460 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -10.858 18.001 -7.067 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -9.944 18.072 -8.560 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -10.899 15.720 -7.678 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -9.327 15.790 -8.449 1.00 0.00 H new ATOM 527 N ALA A 618 -10.111 17.123 -4.005 1.00 0.00 N ATOM 528 CA ALA A 618 -10.583 17.501 -2.682 1.00 0.00 C ATOM 529 C ALA A 618 -10.309 16.386 -1.684 1.00 0.00 C ATOM 530 O ALA A 618 -9.771 16.626 -0.602 1.00 0.00 O ATOM 531 CB ALA A 618 -12.064 17.841 -2.714 1.00 0.00 C ATOM 0 H ALA A 618 -10.810 16.667 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 618 -10.039 18.391 -2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -12.395 18.121 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -12.232 18.673 -3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -12.629 16.973 -3.054 1.00 0.00 H new ATOM 537 N ALA A 619 -10.687 15.168 -2.057 1.00 0.00 N ATOM 538 CA ALA A 619 -10.409 13.980 -1.250 1.00 0.00 C ATOM 539 C ALA A 619 -8.913 13.820 -0.995 1.00 0.00 C ATOM 540 O ALA A 619 -8.501 13.250 0.013 1.00 0.00 O ATOM 541 CB ALA A 619 -10.964 12.738 -1.934 1.00 0.00 C ATOM 0 H ALA A 619 -11.192 14.974 -2.922 1.00 0.00 H new ATOM 0 HA ALA A 619 -10.901 14.105 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -10.751 11.860 -1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -12.042 12.841 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -10.497 12.622 -2.912 1.00 0.00 H new ATOM 547 N LEU A 620 -8.111 14.331 -1.923 1.00 0.00 N ATOM 548 CA LEU A 620 -6.657 14.280 -1.812 1.00 0.00 C ATOM 549 C LEU A 620 -6.190 15.039 -0.569 1.00 0.00 C ATOM 550 O LEU A 620 -5.206 14.664 0.070 1.00 0.00 O ATOM 551 CB LEU A 620 -6.015 14.892 -3.063 1.00 0.00 C ATOM 552 CG LEU A 620 -5.013 13.998 -3.805 1.00 0.00 C ATOM 553 CD1 LEU A 620 -3.859 13.606 -2.896 1.00 0.00 C ATOM 554 CD2 LEU A 620 -5.706 12.759 -4.358 1.00 0.00 C ATOM 0 H LEU A 620 -8.448 14.790 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 620 -6.352 13.237 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -6.809 15.169 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -5.508 15.813 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 620 -4.607 14.567 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -3.162 12.972 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -3.342 14.504 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.244 13.060 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -4.979 12.138 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -6.145 12.191 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -6.491 13.060 -5.052 1.00 0.00 H new ATOM 566 N LYS A 621 -6.913 16.098 -0.228 1.00 0.00 N ATOM 567 CA LYS A 621 -6.555 16.940 0.909 1.00 0.00 C ATOM 568 C LYS A 621 -7.332 16.533 2.164 1.00 0.00 C ATOM 569 O LYS A 621 -7.353 17.263 3.154 1.00 0.00 O ATOM 570 CB LYS A 621 -6.838 18.417 0.594 1.00 0.00 C ATOM 571 CG LYS A 621 -6.186 18.923 -0.685 1.00 0.00 C ATOM 572 CD LYS A 621 -6.384 20.423 -0.843 1.00 0.00 C ATOM 573 CE LYS A 621 -5.934 20.917 -2.210 1.00 0.00 C ATOM 574 NZ LYS A 621 -6.803 20.410 -3.307 1.00 0.00 N ATOM 0 H LYS A 621 -7.753 16.396 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 621 -5.490 16.805 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -7.916 18.560 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -6.493 19.027 1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -5.121 18.693 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -6.612 18.404 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -7.436 20.667 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -5.826 20.946 -0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -5.939 22.007 -2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -4.906 20.601 -2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -6.410 20.702 -4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -6.847 19.372 -3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -7.761 20.802 -3.200 1.00 0.00 H new ATOM 588 N ASP A 622 -7.928 15.351 2.134 1.00 0.00 N ATOM 589 CA ASP A 622 -8.807 14.896 3.212 1.00 0.00 C ATOM 590 C ASP A 622 -8.056 13.993 4.191 1.00 0.00 C ATOM 591 O ASP A 622 -7.207 13.188 3.797 1.00 0.00 O ATOM 592 CB ASP A 622 -10.015 14.164 2.617 1.00 0.00 C ATOM 593 CG ASP A 622 -10.622 13.147 3.561 1.00 0.00 C ATOM 594 OD1 ASP A 622 -11.297 13.544 4.536 1.00 0.00 O ATOM 595 OD2 ASP A 622 -10.421 11.939 3.326 1.00 0.00 O ATOM 0 H ASP A 622 -7.821 14.682 1.371 1.00 0.00 H new ATOM 0 HA ASP A 622 -9.156 15.766 3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -10.776 14.895 2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -9.711 13.661 1.699 1.00 0.00 H new ATOM 600 N ARG A 623 -8.369 14.165 5.480 1.00 0.00 N ATOM 601 CA ARG A 623 -7.722 13.420 6.558 1.00 0.00 C ATOM 602 C ARG A 623 -8.005 11.918 6.475 1.00 0.00 C ATOM 603 O ARG A 623 -7.131 11.109 6.781 1.00 0.00 O ATOM 604 CB ARG A 623 -8.148 13.952 7.932 1.00 0.00 C ATOM 605 CG ARG A 623 -7.732 15.396 8.234 1.00 0.00 C ATOM 606 CD ARG A 623 -6.258 15.650 7.942 1.00 0.00 C ATOM 607 NE ARG A 623 -6.028 15.960 6.530 1.00 0.00 N ATOM 608 CZ ARG A 623 -4.937 15.609 5.852 1.00 0.00 C ATOM 609 NH1 ARG A 623 -3.945 14.978 6.464 1.00 0.00 N ATOM 610 NH2 ARG A 623 -4.830 15.913 4.564 1.00 0.00 N ATOM 0 H ARG A 623 -9.077 14.824 5.802 1.00 0.00 H new ATOM 0 HA ARG A 623 -6.649 13.568 6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -9.233 13.880 8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -7.729 13.302 8.700 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -8.340 16.078 7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -7.935 15.618 9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -5.903 16.476 8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -5.676 14.772 8.221 1.00 0.00 H new ATOM 0 HE ARG A 623 -6.751 16.479 6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -4.016 14.760 7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -3.111 14.711 5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -5.583 16.415 4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -3.994 15.644 4.044 1.00 0.00 H new ATOM 624 N ARG A 624 -9.231 11.547 6.102 1.00 0.00 N ATOM 625 CA ARG A 624 -9.606 10.141 5.978 1.00 0.00 C ATOM 626 C ARG A 624 -8.685 9.422 4.995 1.00 0.00 C ATOM 627 O ARG A 624 -8.223 8.309 5.262 1.00 0.00 O ATOM 628 CB ARG A 624 -11.066 10.035 5.526 1.00 0.00 C ATOM 629 CG ARG A 624 -11.553 8.615 5.299 1.00 0.00 C ATOM 630 CD ARG A 624 -12.963 8.608 4.731 1.00 0.00 C ATOM 631 NE ARG A 624 -13.049 9.377 3.488 1.00 0.00 N ATOM 632 CZ ARG A 624 -14.179 9.888 2.998 1.00 0.00 C ATOM 633 NH1 ARG A 624 -15.333 9.696 3.627 1.00 0.00 N ATOM 634 NH2 ARG A 624 -14.150 10.592 1.874 1.00 0.00 N ATOM 0 H ARG A 624 -9.980 12.203 5.881 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.500 9.660 6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -11.700 10.508 6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.189 10.600 4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -10.879 8.100 4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -11.533 8.065 6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.276 7.580 4.546 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.653 9.024 5.465 1.00 0.00 H new ATOM 0 HE ARG A 624 -12.189 9.532 2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -15.359 9.155 4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -16.193 10.090 3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -13.266 10.741 1.388 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -15.012 10.985 1.496 1.00 0.00 H new ATOM 648 N MET A 625 -8.410 10.066 3.863 1.00 0.00 N ATOM 649 CA MET A 625 -7.459 9.529 2.895 1.00 0.00 C ATOM 650 C MET A 625 -6.061 9.430 3.506 1.00 0.00 C ATOM 651 O MET A 625 -5.343 8.461 3.264 1.00 0.00 O ATOM 652 CB MET A 625 -7.432 10.357 1.598 1.00 0.00 C ATOM 653 CG MET A 625 -6.240 10.030 0.698 1.00 0.00 C ATOM 654 SD MET A 625 -6.208 11.001 -0.822 1.00 0.00 S ATOM 655 CE MET A 625 -7.646 10.355 -1.668 1.00 0.00 C ATOM 0 H MET A 625 -8.830 10.956 3.595 1.00 0.00 H new ATOM 0 HA MET A 625 -7.793 8.525 2.632 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.355 10.183 1.045 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.407 11.417 1.852 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.317 10.203 1.251 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.265 8.970 0.444 1.00 0.00 H new ATOM 0 HE1 MET A 625 -7.420 10.232 -2.727 1.00 0.00 H new ATOM 0 HE2 MET A 625 -7.917 9.390 -1.240 1.00 0.00 H new ATOM 0 HE3 MET A 625 -8.478 11.049 -1.553 1.00 0.00 H new ATOM 665 N GLU A 626 -5.691 10.423 4.317 1.00 0.00 N ATOM 666 CA GLU A 626 -4.378 10.454 4.952 1.00 0.00 C ATOM 667 C GLU A 626 -4.155 9.179 5.762 1.00 0.00 C ATOM 668 O GLU A 626 -3.058 8.621 5.771 1.00 0.00 O ATOM 669 CB GLU A 626 -4.259 11.678 5.862 1.00 0.00 C ATOM 670 CG GLU A 626 -2.844 11.957 6.342 1.00 0.00 C ATOM 671 CD GLU A 626 -1.966 12.539 5.254 1.00 0.00 C ATOM 672 OE1 GLU A 626 -1.955 13.777 5.097 1.00 0.00 O ATOM 673 OE2 GLU A 626 -1.278 11.767 4.555 1.00 0.00 O ATOM 0 H GLU A 626 -6.287 11.218 4.548 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.616 10.517 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -4.629 12.553 5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -4.905 11.537 6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -2.879 12.648 7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -2.399 11.032 6.707 1.00 0.00 H new ATOM 680 N ASN A 627 -5.211 8.721 6.431 1.00 0.00 N ATOM 681 CA ASN A 627 -5.145 7.503 7.237 1.00 0.00 C ATOM 682 C ASN A 627 -4.816 6.284 6.382 1.00 0.00 C ATOM 683 O ASN A 627 -3.999 5.448 6.771 1.00 0.00 O ATOM 684 CB ASN A 627 -6.463 7.258 7.980 1.00 0.00 C ATOM 685 CG ASN A 627 -6.595 8.063 9.263 1.00 0.00 C ATOM 686 OD1 ASN A 627 -6.024 9.259 9.293 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -7.219 7.609 10.222 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.124 9.176 6.431 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.346 7.649 7.964 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.294 7.504 7.319 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.546 6.197 8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -7.645 6.684 10.162 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -7.310 8.158 11.077 1.00 0.00 H new ATOM 694 N LEU A 628 -5.445 6.181 5.215 1.00 0.00 N ATOM 695 CA LEU A 628 -5.191 5.049 4.325 1.00 0.00 C ATOM 696 C LEU A 628 -3.758 5.130 3.803 1.00 0.00 C ATOM 697 O LEU A 628 -3.070 4.116 3.689 1.00 0.00 O ATOM 698 CB LEU A 628 -6.246 4.971 3.180 1.00 0.00 C ATOM 699 CG LEU A 628 -5.960 5.740 1.880 1.00 0.00 C ATOM 700 CD1 LEU A 628 -4.996 4.969 0.988 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.258 5.997 1.130 1.00 0.00 C ATOM 0 H LEU A 628 -6.125 6.856 4.866 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.296 4.119 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.383 3.921 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.196 5.328 3.577 1.00 0.00 H new ATOM 0 HG LEU A 628 -5.498 6.691 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -4.812 5.536 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.055 4.816 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.430 4.002 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.045 6.542 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -7.732 5.046 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -7.929 6.587 1.755 1.00 0.00 H new ATOM 713 N VAL A 629 -3.307 6.349 3.507 1.00 0.00 N ATOM 714 CA VAL A 629 -1.943 6.570 3.037 1.00 0.00 C ATOM 715 C VAL A 629 -0.944 6.198 4.130 1.00 0.00 C ATOM 716 O VAL A 629 0.099 5.600 3.863 1.00 0.00 O ATOM 717 CB VAL A 629 -1.714 8.037 2.606 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.287 8.244 2.120 1.00 0.00 C ATOM 719 CG2 VAL A 629 -2.705 8.440 1.523 1.00 0.00 C ATOM 0 H VAL A 629 -3.868 7.197 3.585 1.00 0.00 H new ATOM 0 HA VAL A 629 -1.791 5.934 2.165 1.00 0.00 H new ATOM 0 HB VAL A 629 -1.875 8.672 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.151 9.284 1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.409 8.002 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.096 7.594 1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.527 9.476 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.578 7.794 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -3.721 8.339 1.904 1.00 0.00 H new ATOM 729 N ALA A 630 -1.278 6.551 5.368 1.00 0.00 N ATOM 730 CA ALA A 630 -0.455 6.208 6.518 1.00 0.00 C ATOM 731 C ALA A 630 -0.318 4.692 6.650 1.00 0.00 C ATOM 732 O ALA A 630 0.752 4.189 6.997 1.00 0.00 O ATOM 733 CB ALA A 630 -1.018 6.830 7.792 1.00 0.00 C ATOM 0 H ALA A 630 -2.120 7.078 5.599 1.00 0.00 H new ATOM 0 HA ALA A 630 0.542 6.620 6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.387 6.560 8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.041 7.915 7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.029 6.460 7.961 1.00 0.00 H new ATOM 739 N TYR A 631 -1.402 3.967 6.373 1.00 0.00 N ATOM 740 CA TYR A 631 -1.356 2.508 6.383 1.00 0.00 C ATOM 741 C TYR A 631 -0.422 2.004 5.281 1.00 0.00 C ATOM 742 O TYR A 631 0.316 1.040 5.476 1.00 0.00 O ATOM 743 CB TYR A 631 -2.747 1.876 6.226 1.00 0.00 C ATOM 744 CG TYR A 631 -2.720 0.376 6.409 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.378 -0.177 7.636 1.00 0.00 C ATOM 746 CD2 TYR A 631 -3.018 -0.485 5.361 1.00 0.00 C ATOM 747 CE1 TYR A 631 -2.332 -1.543 7.816 1.00 0.00 C ATOM 748 CE2 TYR A 631 -2.977 -1.856 5.536 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.631 -2.379 6.763 1.00 0.00 C ATOM 750 OH TYR A 631 -2.584 -3.745 6.938 1.00 0.00 O ATOM 0 H TYR A 631 -2.313 4.363 6.141 1.00 0.00 H new ATOM 0 HA TYR A 631 -0.972 2.204 7.357 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.428 2.316 6.954 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.141 2.112 5.238 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -2.144 0.475 8.464 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.285 -0.079 4.397 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -2.063 -1.955 8.777 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.215 -2.515 4.714 1.00 0.00 H new ATOM 0 HH TYR A 631 -2.823 -4.191 6.099 1.00 0.00 H new ATOM 760 N ALA A 632 -0.455 2.667 4.125 1.00 0.00 N ATOM 761 CA ALA A 632 0.420 2.309 3.011 1.00 0.00 C ATOM 762 C ALA A 632 1.882 2.493 3.414 1.00 0.00 C ATOM 763 O ALA A 632 2.742 1.681 3.073 1.00 0.00 O ATOM 764 CB ALA A 632 0.088 3.136 1.771 1.00 0.00 C ATOM 0 H ALA A 632 -1.077 3.453 3.937 1.00 0.00 H new ATOM 0 HA ALA A 632 0.257 1.260 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.753 2.851 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.946 2.953 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.220 4.195 1.994 1.00 0.00 H new ATOM 770 N LYS A 633 2.150 3.571 4.152 1.00 0.00 N ATOM 771 CA LYS A 633 3.463 3.825 4.730 1.00 0.00 C ATOM 772 C LYS A 633 3.877 2.704 5.675 1.00 0.00 C ATOM 773 O LYS A 633 5.010 2.226 5.650 1.00 0.00 O ATOM 774 CB LYS A 633 3.419 5.122 5.528 1.00 0.00 C ATOM 775 CG LYS A 633 3.183 6.376 4.701 1.00 0.00 C ATOM 776 CD LYS A 633 3.952 6.342 3.396 1.00 0.00 C ATOM 777 CE LYS A 633 3.848 7.661 2.648 1.00 0.00 C ATOM 778 NZ LYS A 633 4.486 8.779 3.395 1.00 0.00 N ATOM 0 H LYS A 633 1.460 4.291 4.364 1.00 0.00 H new ATOM 0 HA LYS A 633 4.182 3.889 3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.630 5.044 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.360 5.232 6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 633 2.118 6.479 4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 633 3.482 7.252 5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 633 5.000 6.119 3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.569 5.537 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 633 4.321 7.562 1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 633 2.798 7.896 2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 4.652 9.578 2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.859 9.082 4.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 5.393 8.459 3.790 1.00 0.00 H new ATOM 792 N LYS A 634 2.950 2.332 6.534 1.00 0.00 N ATOM 793 CA LYS A 634 3.142 1.219 7.458 1.00 0.00 C ATOM 794 C LYS A 634 3.544 -0.040 6.692 1.00 0.00 C ATOM 795 O LYS A 634 4.458 -0.763 7.096 1.00 0.00 O ATOM 796 CB LYS A 634 1.845 0.983 8.246 1.00 0.00 C ATOM 797 CG LYS A 634 1.834 -0.279 9.098 1.00 0.00 C ATOM 798 CD LYS A 634 2.873 -0.233 10.205 1.00 0.00 C ATOM 799 CE LYS A 634 2.771 -1.451 11.112 1.00 0.00 C ATOM 800 NZ LYS A 634 2.953 -2.723 10.361 1.00 0.00 N ATOM 0 H LYS A 634 2.041 2.788 6.616 1.00 0.00 H new ATOM 0 HA LYS A 634 3.943 1.461 8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 634 1.668 1.842 8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 634 1.013 0.937 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 634 0.845 -0.411 9.536 1.00 0.00 H new ATOM 0 HG3 LYS A 634 2.020 -1.145 8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 634 3.871 -0.185 9.768 1.00 0.00 H new ATOM 0 HD3 LYS A 634 2.739 0.674 10.795 1.00 0.00 H new ATOM 0 HE2 LYS A 634 3.524 -1.383 11.897 1.00 0.00 H new ATOM 0 HE3 LYS A 634 1.798 -1.456 11.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 3.029 -3.514 11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 2.137 -2.876 9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 3.821 -2.668 9.791 1.00 0.00 H new ATOM 814 N VAL A 635 2.863 -0.283 5.578 1.00 0.00 N ATOM 815 CA VAL A 635 3.188 -1.402 4.702 1.00 0.00 C ATOM 816 C VAL A 635 4.617 -1.303 4.163 1.00 0.00 C ATOM 817 O VAL A 635 5.378 -2.269 4.256 1.00 0.00 O ATOM 818 CB VAL A 635 2.189 -1.509 3.527 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.746 -2.377 2.409 1.00 0.00 C ATOM 820 CG2 VAL A 635 0.863 -2.075 4.010 1.00 0.00 C ATOM 0 H VAL A 635 2.077 0.284 5.259 1.00 0.00 H new ATOM 0 HA VAL A 635 3.112 -2.305 5.307 1.00 0.00 H new ATOM 0 HB VAL A 635 2.028 -0.505 3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 635 2.021 -2.434 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.674 -1.941 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 635 2.943 -3.379 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.170 -2.144 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 635 1.023 -3.067 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.444 -1.420 4.774 1.00 0.00 H new ATOM 830 N GLU A 636 4.987 -0.141 3.619 1.00 0.00 N ATOM 831 CA GLU A 636 6.326 0.037 3.047 1.00 0.00 C ATOM 832 C GLU A 636 7.399 -0.281 4.090 1.00 0.00 C ATOM 833 O GLU A 636 8.419 -0.904 3.780 1.00 0.00 O ATOM 834 CB GLU A 636 6.530 1.459 2.474 1.00 0.00 C ATOM 835 CG GLU A 636 7.033 2.497 3.478 1.00 0.00 C ATOM 836 CD GLU A 636 7.523 3.770 2.821 1.00 0.00 C ATOM 837 OE1 GLU A 636 8.614 3.744 2.219 1.00 0.00 O ATOM 838 OE2 GLU A 636 6.832 4.807 2.917 1.00 0.00 O ATOM 0 H GLU A 636 4.387 0.682 3.562 1.00 0.00 H new ATOM 0 HA GLU A 636 6.420 -0.662 2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 636 7.238 1.403 1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.584 1.806 2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 636 6.230 2.740 4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 636 7.843 2.063 4.065 1.00 0.00 H new ATOM 845 N GLY A 637 7.153 0.144 5.327 1.00 0.00 N ATOM 846 CA GLY A 637 8.077 -0.124 6.413 1.00 0.00 C ATOM 847 C GLY A 637 8.189 -1.600 6.736 1.00 0.00 C ATOM 848 O GLY A 637 9.292 -2.129 6.859 1.00 0.00 O ATOM 0 H GLY A 637 6.323 0.673 5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 637 9.062 0.262 6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.751 0.415 7.303 1.00 0.00 H new ATOM 852 N ASP A 638 7.044 -2.263 6.874 1.00 0.00 N ATOM 853 CA ASP A 638 7.010 -3.676 7.253 1.00 0.00 C ATOM 854 C ASP A 638 7.651 -4.566 6.195 1.00 0.00 C ATOM 855 O ASP A 638 8.408 -5.483 6.520 1.00 0.00 O ATOM 856 CB ASP A 638 5.573 -4.128 7.505 1.00 0.00 C ATOM 857 CG ASP A 638 5.494 -5.581 7.928 1.00 0.00 C ATOM 858 OD1 ASP A 638 5.907 -5.893 9.066 1.00 0.00 O ATOM 859 OD2 ASP A 638 5.009 -6.416 7.133 1.00 0.00 O ATOM 0 H ASP A 638 6.125 -1.845 6.729 1.00 0.00 H new ATOM 0 HA ASP A 638 7.589 -3.776 8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 638 5.128 -3.502 8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 638 4.984 -3.983 6.599 1.00 0.00 H new ATOM 864 N MET A 639 7.343 -4.291 4.933 1.00 0.00 N ATOM 865 CA MET A 639 7.880 -5.072 3.813 1.00 0.00 C ATOM 866 C MET A 639 9.404 -5.080 3.843 1.00 0.00 C ATOM 867 O MET A 639 10.029 -6.084 3.513 1.00 0.00 O ATOM 868 CB MET A 639 7.392 -4.534 2.452 1.00 0.00 C ATOM 869 CG MET A 639 5.874 -4.525 2.291 1.00 0.00 C ATOM 870 SD MET A 639 5.174 -6.183 2.314 1.00 0.00 S ATOM 871 CE MET A 639 3.441 -5.812 2.080 1.00 0.00 C ATOM 0 H MET A 639 6.722 -3.531 4.654 1.00 0.00 H new ATOM 0 HA MET A 639 7.511 -6.091 3.928 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.766 -3.519 2.320 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.827 -5.140 1.657 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.430 -3.934 3.092 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.613 -4.036 1.352 1.00 0.00 H new ATOM 0 HE1 MET A 639 2.927 -6.697 1.704 1.00 0.00 H new ATOM 0 HE2 MET A 639 3.001 -5.514 3.032 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.337 -4.999 1.362 1.00 0.00 H new ATOM 881 N TYR A 640 9.976 -3.946 4.241 1.00 0.00 N ATOM 882 CA TYR A 640 11.429 -3.742 4.202 1.00 0.00 C ATOM 883 C TYR A 640 12.213 -4.900 4.838 1.00 0.00 C ATOM 884 O TYR A 640 13.305 -5.222 4.365 1.00 0.00 O ATOM 885 CB TYR A 640 11.844 -2.408 4.841 1.00 0.00 C ATOM 886 CG TYR A 640 13.287 -2.038 4.549 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.753 -1.999 3.238 1.00 0.00 C ATOM 888 CD2 TYR A 640 14.188 -1.748 5.571 1.00 0.00 C ATOM 889 CE1 TYR A 640 15.064 -1.682 2.956 1.00 0.00 C ATOM 890 CE2 TYR A 640 15.505 -1.431 5.291 1.00 0.00 C ATOM 891 CZ TYR A 640 15.936 -1.400 3.982 1.00 0.00 C ATOM 892 OH TYR A 640 17.245 -1.084 3.696 1.00 0.00 O ATOM 0 H TYR A 640 9.453 -3.146 4.598 1.00 0.00 H new ATOM 0 HA TYR A 640 11.688 -3.712 3.144 1.00 0.00 H new ATOM 0 HB2 TYR A 640 11.190 -1.616 4.475 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.700 -2.467 5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 640 13.075 -2.221 2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.853 -1.771 6.598 1.00 0.00 H new ATOM 0 HE1 TYR A 640 15.406 -1.655 1.932 1.00 0.00 H new ATOM 0 HE2 TYR A 640 16.192 -1.209 6.094 1.00 0.00 H new ATOM 0 HH TYR A 640 17.457 -1.364 2.781 1.00 0.00 H new ATOM 902 N GLU A 641 11.693 -5.527 5.897 1.00 0.00 N ATOM 903 CA GLU A 641 12.440 -6.619 6.534 1.00 0.00 C ATOM 904 C GLU A 641 12.611 -7.792 5.565 1.00 0.00 C ATOM 905 O GLU A 641 13.725 -8.272 5.351 1.00 0.00 O ATOM 906 CB GLU A 641 11.759 -7.120 7.816 1.00 0.00 C ATOM 907 CG GLU A 641 11.966 -6.204 9.037 1.00 0.00 C ATOM 908 CD GLU A 641 11.037 -5.011 9.039 1.00 0.00 C ATOM 909 OE1 GLU A 641 9.870 -5.169 9.455 1.00 0.00 O ATOM 910 OE2 GLU A 641 11.477 -3.907 8.660 1.00 0.00 O ATOM 0 H GLU A 641 10.791 -5.310 6.321 1.00 0.00 H new ATOM 0 HA GLU A 641 13.416 -6.214 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 641 10.690 -7.224 7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.139 -8.114 8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 641 11.811 -6.781 9.949 1.00 0.00 H new ATOM 0 HG3 GLU A 641 12.998 -5.855 9.053 1.00 0.00 H new ATOM 917 N SER A 642 11.506 -8.246 4.990 1.00 0.00 N ATOM 918 CA SER A 642 11.534 -9.308 3.989 1.00 0.00 C ATOM 919 C SER A 642 12.209 -8.832 2.699 1.00 0.00 C ATOM 920 O SER A 642 12.937 -9.587 2.057 1.00 0.00 O ATOM 921 CB SER A 642 10.116 -9.811 3.706 1.00 0.00 C ATOM 922 OG SER A 642 10.122 -10.940 2.845 1.00 0.00 O ATOM 0 H SER A 642 10.572 -7.894 5.200 1.00 0.00 H new ATOM 0 HA SER A 642 12.122 -10.135 4.387 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.628 -10.072 4.645 1.00 0.00 H new ATOM 0 HB3 SER A 642 9.530 -9.011 3.254 1.00 0.00 H new ATOM 0 HG SER A 642 9.224 -11.332 2.814 1.00 0.00 H new ATOM 928 N ALA A 643 11.921 -7.583 2.325 1.00 0.00 N ATOM 929 CA ALA A 643 12.435 -6.926 1.108 1.00 0.00 C ATOM 930 C ALA A 643 13.962 -6.853 0.994 1.00 0.00 C ATOM 931 O ALA A 643 14.483 -6.018 0.253 1.00 0.00 O ATOM 932 CB ALA A 643 11.869 -5.525 1.001 1.00 0.00 C ATOM 0 H ALA A 643 11.307 -6.979 2.872 1.00 0.00 H new ATOM 0 HA ALA A 643 12.104 -7.562 0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.252 -5.045 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 643 10.781 -5.575 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.165 -4.945 1.875 1.00 0.00 H new ATOM 938 N ASN A 644 14.681 -7.695 1.715 1.00 0.00 N ATOM 939 CA ASN A 644 16.138 -7.672 1.660 1.00 0.00 C ATOM 940 C ASN A 644 16.611 -8.212 0.303 1.00 0.00 C ATOM 941 O ASN A 644 17.806 -8.236 0.007 1.00 0.00 O ATOM 942 CB ASN A 644 16.755 -8.495 2.810 1.00 0.00 C ATOM 943 CG ASN A 644 18.218 -8.138 3.054 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.567 -6.866 2.874 1.00 0.00 O flip ATOM 945 ND2 ASN A 644 19.024 -8.992 3.423 1.00 0.00 N flip ATOM 0 H ASN A 644 14.288 -8.398 2.341 1.00 0.00 H new ATOM 0 HA ASN A 644 16.471 -6.641 1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 644 16.184 -8.325 3.723 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.676 -9.557 2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 644 18.721 -9.958 3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 644 19.995 -8.734 3.601 1.00 0.00 H new ATOM 952 N SER A 645 15.653 -8.623 -0.523 1.00 0.00 N ATOM 953 CA SER A 645 15.928 -9.059 -1.879 1.00 0.00 C ATOM 954 C SER A 645 15.010 -8.313 -2.850 1.00 0.00 C ATOM 955 O SER A 645 13.826 -8.122 -2.554 1.00 0.00 O ATOM 956 CB SER A 645 15.718 -10.568 -1.999 1.00 0.00 C ATOM 957 OG SER A 645 16.536 -11.270 -1.077 1.00 0.00 O ATOM 0 H SER A 645 14.666 -8.661 -0.267 1.00 0.00 H new ATOM 0 HA SER A 645 16.966 -8.836 -2.127 1.00 0.00 H new ATOM 0 HB2 SER A 645 14.670 -10.809 -1.818 1.00 0.00 H new ATOM 0 HB3 SER A 645 15.948 -10.891 -3.014 1.00 0.00 H new ATOM 0 HG SER A 645 16.383 -12.233 -1.171 1.00 0.00 H new ATOM 963 N ARG A 646 15.551 -7.878 -3.986 1.00 0.00 N ATOM 964 CA ARG A 646 14.779 -7.096 -4.956 1.00 0.00 C ATOM 965 C ARG A 646 13.514 -7.831 -5.392 1.00 0.00 C ATOM 966 O ARG A 646 12.417 -7.274 -5.345 1.00 0.00 O ATOM 967 CB ARG A 646 15.636 -6.771 -6.182 1.00 0.00 C ATOM 968 CG ARG A 646 16.735 -5.757 -5.914 1.00 0.00 C ATOM 969 CD ARG A 646 16.165 -4.375 -5.630 1.00 0.00 C ATOM 970 NE ARG A 646 15.416 -3.843 -6.770 1.00 0.00 N ATOM 971 CZ ARG A 646 15.305 -2.545 -7.052 1.00 0.00 C ATOM 972 NH1 ARG A 646 15.910 -1.638 -6.291 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.588 -2.156 -8.098 1.00 0.00 N ATOM 0 H ARG A 646 16.518 -8.052 -4.259 1.00 0.00 H new ATOM 0 HA ARG A 646 14.481 -6.169 -4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 646 16.087 -7.692 -6.552 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.990 -6.392 -6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 646 17.335 -6.085 -5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 646 17.402 -5.706 -6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.512 -4.425 -4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 646 16.977 -3.693 -5.380 1.00 0.00 H new ATOM 0 HE ARG A 646 14.950 -4.508 -7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.463 -1.934 -5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 646 15.821 -0.646 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 646 14.123 -2.849 -8.684 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.501 -1.163 -8.316 1.00 0.00 H new ATOM 987 N ASP A 647 13.676 -9.088 -5.782 1.00 0.00 N ATOM 988 CA ASP A 647 12.559 -9.908 -6.244 1.00 0.00 C ATOM 989 C ASP A 647 11.487 -10.030 -5.162 1.00 0.00 C ATOM 990 O ASP A 647 10.289 -9.967 -5.447 1.00 0.00 O ATOM 991 CB ASP A 647 13.060 -11.299 -6.646 1.00 0.00 C ATOM 992 CG ASP A 647 11.944 -12.219 -7.096 1.00 0.00 C ATOM 993 OD1 ASP A 647 11.576 -12.179 -8.288 1.00 0.00 O ATOM 994 OD2 ASP A 647 11.430 -12.994 -6.261 1.00 0.00 O ATOM 0 H ASP A 647 14.577 -9.567 -5.788 1.00 0.00 H new ATOM 0 HA ASP A 647 12.114 -9.422 -7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.789 -11.199 -7.451 1.00 0.00 H new ATOM 0 HB3 ASP A 647 13.579 -11.751 -5.801 1.00 0.00 H new ATOM 999 N GLU A 648 11.936 -10.185 -3.923 1.00 0.00 N ATOM 1000 CA GLU A 648 11.034 -10.356 -2.786 1.00 0.00 C ATOM 1001 C GLU A 648 10.139 -9.132 -2.596 1.00 0.00 C ATOM 1002 O GLU A 648 8.928 -9.263 -2.412 1.00 0.00 O ATOM 1003 CB GLU A 648 11.834 -10.609 -1.505 1.00 0.00 C ATOM 1004 CG GLU A 648 10.980 -11.047 -0.324 1.00 0.00 C ATOM 1005 CD GLU A 648 10.363 -12.414 -0.530 1.00 0.00 C ATOM 1006 OE1 GLU A 648 9.308 -12.510 -1.194 1.00 0.00 O ATOM 1007 OE2 GLU A 648 10.930 -13.403 -0.024 1.00 0.00 O ATOM 0 H GLU A 648 12.926 -10.196 -3.677 1.00 0.00 H new ATOM 0 HA GLU A 648 10.400 -11.218 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.585 -11.374 -1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.369 -9.698 -1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 648 11.592 -11.060 0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 648 10.189 -10.316 -0.161 1.00 0.00 H new ATOM 1014 N TYR A 649 10.743 -7.946 -2.655 1.00 0.00 N ATOM 1015 CA TYR A 649 10.025 -6.696 -2.391 1.00 0.00 C ATOM 1016 C TYR A 649 8.804 -6.557 -3.298 1.00 0.00 C ATOM 1017 O TYR A 649 7.707 -6.235 -2.834 1.00 0.00 O ATOM 1018 CB TYR A 649 10.962 -5.494 -2.578 1.00 0.00 C ATOM 1019 CG TYR A 649 10.475 -4.202 -1.939 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.388 -4.182 -1.066 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.122 -2.999 -2.197 1.00 0.00 C ATOM 1022 CE1 TYR A 649 8.964 -3.005 -0.479 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.705 -1.820 -1.609 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.626 -1.828 -0.752 1.00 0.00 C ATOM 1025 OH TYR A 649 9.209 -0.656 -0.163 1.00 0.00 O ATOM 0 H TYR A 649 11.729 -7.823 -2.884 1.00 0.00 H new ATOM 0 HA TYR A 649 9.678 -6.720 -1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.938 -5.744 -2.162 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.104 -5.324 -3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 649 8.868 -5.102 -0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 649 11.967 -2.986 -2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.117 -3.008 0.191 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.223 -0.896 -1.820 1.00 0.00 H new ATOM 0 HH TYR A 649 8.811 -0.852 0.711 1.00 0.00 H new ATOM 1035 N TYR A 650 8.991 -6.826 -4.584 1.00 0.00 N ATOM 1036 CA TYR A 650 7.928 -6.751 -5.558 1.00 0.00 C ATOM 1037 C TYR A 650 6.822 -7.758 -5.249 1.00 0.00 C ATOM 1038 O TYR A 650 5.635 -7.460 -5.405 1.00 0.00 O ATOM 1039 CB TYR A 650 8.516 -7.006 -6.940 1.00 0.00 C ATOM 1040 CG TYR A 650 9.314 -5.842 -7.495 1.00 0.00 C ATOM 1041 CD1 TYR A 650 10.573 -5.534 -6.995 1.00 0.00 C ATOM 1042 CD2 TYR A 650 8.809 -5.057 -8.524 1.00 0.00 C ATOM 1043 CE1 TYR A 650 11.305 -4.477 -7.501 1.00 0.00 C ATOM 1044 CE2 TYR A 650 9.535 -3.996 -9.036 1.00 0.00 C ATOM 1045 CZ TYR A 650 10.783 -3.712 -8.521 1.00 0.00 C ATOM 1046 OH TYR A 650 11.515 -2.662 -9.031 1.00 0.00 O ATOM 0 H TYR A 650 9.891 -7.103 -4.975 1.00 0.00 H new ATOM 0 HA TYR A 650 7.478 -5.759 -5.524 1.00 0.00 H new ATOM 0 HB2 TYR A 650 9.159 -7.885 -6.893 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.706 -7.240 -7.631 1.00 0.00 H new ATOM 0 HD1 TYR A 650 10.987 -6.132 -6.196 1.00 0.00 H new ATOM 0 HD2 TYR A 650 7.834 -5.279 -8.931 1.00 0.00 H new ATOM 0 HE1 TYR A 650 12.282 -4.252 -7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 650 9.127 -3.394 -9.834 1.00 0.00 H new ATOM 0 HH TYR A 650 11.006 -2.225 -9.745 1.00 0.00 H new ATOM 1056 N HIS A 651 7.226 -8.938 -4.789 1.00 0.00 N ATOM 1057 CA HIS A 651 6.301 -10.041 -4.552 1.00 0.00 C ATOM 1058 C HIS A 651 5.342 -9.704 -3.415 1.00 0.00 C ATOM 1059 O HIS A 651 4.144 -9.979 -3.487 1.00 0.00 O ATOM 1060 CB HIS A 651 7.091 -11.305 -4.200 1.00 0.00 C ATOM 1061 CG HIS A 651 6.268 -12.554 -4.180 1.00 0.00 C ATOM 1062 ND1 HIS A 651 5.898 -13.200 -3.019 1.00 0.00 N ATOM 1063 CD2 HIS A 651 5.768 -13.295 -5.194 1.00 0.00 C ATOM 1064 CE1 HIS A 651 5.209 -14.283 -3.324 1.00 0.00 C ATOM 1065 NE2 HIS A 651 5.116 -14.362 -4.636 1.00 0.00 N ATOM 0 H HIS A 651 8.198 -9.156 -4.571 1.00 0.00 H new ATOM 0 HA HIS A 651 5.720 -10.210 -5.459 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.900 -11.427 -4.920 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.553 -11.171 -3.222 1.00 0.00 H new ATOM 0 HD2 HIS A 651 5.865 -13.084 -6.249 1.00 0.00 H new ATOM 0 HE1 HIS A 651 4.792 -14.986 -2.618 1.00 0.00 H new ATOM 0 HE2 HIS A 651 4.636 -15.099 -5.153 1.00 0.00 H new ATOM 1074 N LEU A 652 5.896 -9.109 -2.368 1.00 0.00 N ATOM 1075 CA LEU A 652 5.147 -8.798 -1.156 1.00 0.00 C ATOM 1076 C LEU A 652 4.019 -7.813 -1.438 1.00 0.00 C ATOM 1077 O LEU A 652 2.868 -8.034 -1.049 1.00 0.00 O ATOM 1078 CB LEU A 652 6.093 -8.199 -0.119 1.00 0.00 C ATOM 1079 CG LEU A 652 7.315 -9.051 0.220 1.00 0.00 C ATOM 1080 CD1 LEU A 652 8.290 -8.255 1.067 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.902 -10.325 0.942 1.00 0.00 C ATOM 0 H LEU A 652 6.876 -8.828 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 652 4.707 -9.721 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.436 -7.230 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.532 -8.017 0.798 1.00 0.00 H new ATOM 0 HG LEU A 652 7.807 -9.332 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 652 9.157 -8.873 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.613 -7.371 0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.802 -7.948 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 652 7.788 -10.916 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 652 6.386 -10.068 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 652 6.236 -10.905 0.304 1.00 0.00 H new ATOM 1093 N LEU A 653 4.365 -6.723 -2.107 1.00 0.00 N ATOM 1094 CA LEU A 653 3.395 -5.697 -2.467 1.00 0.00 C ATOM 1095 C LEU A 653 2.321 -6.249 -3.399 1.00 0.00 C ATOM 1096 O LEU A 653 1.135 -5.973 -3.214 1.00 0.00 O ATOM 1097 CB LEU A 653 4.110 -4.512 -3.110 1.00 0.00 C ATOM 1098 CG LEU A 653 4.961 -3.690 -2.143 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.134 -3.063 -2.868 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.124 -2.610 -1.475 1.00 0.00 C ATOM 0 H LEU A 653 5.317 -6.525 -2.414 1.00 0.00 H new ATOM 0 HA LEU A 653 2.897 -5.362 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.748 -4.880 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.367 -3.859 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 653 5.342 -4.361 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.729 -2.482 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.753 -3.847 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 653 5.766 -2.409 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.749 -2.036 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.714 -1.945 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.308 -3.073 -0.920 1.00 0.00 H new ATOM 1112 N ALA A 654 2.741 -7.045 -4.379 1.00 0.00 N ATOM 1113 CA ALA A 654 1.819 -7.638 -5.345 1.00 0.00 C ATOM 1114 C ALA A 654 0.718 -8.439 -4.652 1.00 0.00 C ATOM 1115 O ALA A 654 -0.460 -8.316 -4.999 1.00 0.00 O ATOM 1116 CB ALA A 654 2.578 -8.522 -6.323 1.00 0.00 C ATOM 0 H ALA A 654 3.719 -7.295 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 654 1.343 -6.825 -5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.879 -8.958 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.317 -7.924 -6.857 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.083 -9.319 -5.777 1.00 0.00 H new ATOM 1122 N GLU A 655 1.106 -9.247 -3.666 1.00 0.00 N ATOM 1123 CA GLU A 655 0.136 -10.053 -2.918 1.00 0.00 C ATOM 1124 C GLU A 655 -0.917 -9.166 -2.267 1.00 0.00 C ATOM 1125 O GLU A 655 -2.118 -9.407 -2.408 1.00 0.00 O ATOM 1126 CB GLU A 655 0.811 -10.917 -1.836 1.00 0.00 C ATOM 1127 CG GLU A 655 -0.138 -11.315 -0.712 1.00 0.00 C ATOM 1128 CD GLU A 655 0.509 -12.194 0.333 1.00 0.00 C ATOM 1129 OE1 GLU A 655 0.576 -13.419 0.121 1.00 0.00 O ATOM 1130 OE2 GLU A 655 0.941 -11.666 1.375 1.00 0.00 O ATOM 0 H GLU A 655 2.074 -9.362 -3.367 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.339 -10.718 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.215 -11.818 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.654 -10.369 -1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.521 -10.414 -0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.995 -11.838 -1.137 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.459 -8.134 -1.571 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.347 -7.272 -0.806 1.00 0.00 C ATOM 1139 C LYS A 656 -2.303 -6.515 -1.718 1.00 0.00 C ATOM 1140 O LYS A 656 -3.491 -6.400 -1.423 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.535 -6.299 0.051 1.00 0.00 C ATOM 1142 CG LYS A 656 0.323 -6.989 1.102 1.00 0.00 C ATOM 1143 CD LYS A 656 -0.515 -7.849 2.039 1.00 0.00 C ATOM 1144 CE LYS A 656 0.331 -8.486 3.132 1.00 0.00 C ATOM 1145 NZ LYS A 656 1.369 -9.399 2.584 1.00 0.00 N ATOM 0 H LYS A 656 0.526 -7.874 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.945 -7.902 -0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.107 -5.704 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 656 -1.216 -5.607 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 656 1.071 -7.610 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 656 0.862 -6.239 1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 656 -1.295 -7.238 2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -1.015 -8.629 1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 656 0.812 -7.703 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 656 -0.316 -9.041 3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 1.733 -10.007 3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 0.952 -9.991 1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 2.149 -8.838 2.186 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.790 -6.025 -2.836 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.612 -5.293 -3.787 1.00 0.00 C ATOM 1161 C ILE A 657 -3.687 -6.209 -4.373 1.00 0.00 C ATOM 1162 O ILE A 657 -4.839 -5.805 -4.538 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.754 -4.673 -4.916 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.740 -3.691 -4.319 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.635 -3.965 -5.936 1.00 0.00 C ATOM 1166 CD1 ILE A 657 0.193 -3.074 -5.339 1.00 0.00 C ATOM 0 H ILE A 657 -0.811 -6.120 -3.107 1.00 0.00 H new ATOM 0 HA ILE A 657 -3.097 -4.476 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.219 -5.474 -5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.279 -2.894 -3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.147 -4.210 -3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.011 -3.537 -6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.330 -4.680 -6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.195 -3.170 -5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.880 -2.391 -4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.761 -3.861 -5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.389 -2.525 -6.079 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.313 -7.451 -4.671 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.277 -8.428 -5.169 1.00 0.00 C ATOM 1180 C TYR A 658 -5.330 -8.728 -4.100 1.00 0.00 C ATOM 1181 O TYR A 658 -6.497 -8.921 -4.423 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.610 -9.726 -5.659 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.480 -10.504 -6.639 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -4.912 -9.910 -7.822 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.889 -11.815 -6.383 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -5.716 -10.591 -8.715 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.698 -12.494 -7.274 1.00 0.00 C ATOM 1188 CZ TYR A 658 -6.107 -11.879 -8.436 1.00 0.00 C ATOM 1189 OH TYR A 658 -6.917 -12.554 -9.321 1.00 0.00 O ATOM 0 H TYR A 658 -2.360 -7.802 -4.578 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.764 -7.983 -6.036 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.661 -9.483 -6.137 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.383 -10.359 -4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -4.612 -8.897 -8.046 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -4.568 -12.305 -5.476 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -6.036 -10.113 -9.629 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -6.009 -13.506 -7.059 1.00 0.00 H new ATOM 0 HH TYR A 658 -7.101 -13.453 -8.976 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.913 -8.778 -2.828 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.850 -9.039 -1.735 1.00 0.00 C ATOM 1201 C LYS A 659 -6.964 -7.997 -1.727 1.00 0.00 C ATOM 1202 O LYS A 659 -8.138 -8.323 -1.556 1.00 0.00 O ATOM 1203 CB LYS A 659 -5.137 -9.029 -0.381 1.00 0.00 C ATOM 1204 CG LYS A 659 -4.217 -10.215 -0.145 1.00 0.00 C ATOM 1205 CD LYS A 659 -4.983 -11.526 -0.100 1.00 0.00 C ATOM 1206 CE LYS A 659 -4.111 -12.644 0.442 1.00 0.00 C ATOM 1207 NZ LYS A 659 -4.797 -13.962 0.407 1.00 0.00 N ATOM 0 H LYS A 659 -3.945 -8.643 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 659 -6.278 -10.028 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -4.555 -8.111 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -5.887 -9.004 0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.470 -10.258 -0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -3.679 -10.076 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -5.868 -11.413 0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.331 -11.783 -1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -3.192 -12.700 -0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.824 -12.413 1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -4.163 -14.694 0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -5.661 -13.919 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -5.048 -14.197 -0.575 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.578 -6.744 -1.913 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.532 -5.649 -2.023 1.00 0.00 C ATOM 1223 C ILE A 660 -8.409 -5.817 -3.263 1.00 0.00 C ATOM 1224 O ILE A 660 -9.606 -5.540 -3.227 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.816 -4.277 -2.009 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.871 -3.693 -0.605 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.420 -3.295 -3.012 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -6.052 -2.440 -0.452 1.00 0.00 C ATOM 0 H ILE A 660 -5.602 -6.458 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 660 -8.185 -5.679 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.780 -4.439 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.908 -3.475 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.518 -4.440 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.882 -2.348 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -7.339 -3.707 -4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.470 -3.129 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -6.134 -2.074 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -5.008 -2.658 -0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -6.420 -1.679 -1.140 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.812 -6.296 -4.350 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.565 -6.526 -5.588 1.00 0.00 C ATOM 1242 C GLN A 661 -9.614 -7.606 -5.353 1.00 0.00 C ATOM 1243 O GLN A 661 -10.732 -7.523 -5.859 1.00 0.00 O ATOM 1244 CB GLN A 661 -7.660 -6.902 -6.770 1.00 0.00 C ATOM 1245 CG GLN A 661 -6.742 -5.772 -7.223 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.022 -6.096 -8.511 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -4.852 -6.700 -8.399 1.00 0.00 O flip ATOM 1248 NE2 GLN A 661 -6.518 -5.811 -9.602 1.00 0.00 N flip ATOM 0 H GLN A 661 -6.821 -6.532 -4.404 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.052 -5.589 -5.856 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.052 -7.763 -6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.283 -7.211 -7.609 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.328 -4.863 -7.356 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.010 -5.567 -6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -7.424 -5.345 -9.644 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -6.023 -6.042 -10.463 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.234 -8.615 -4.576 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.153 -9.660 -4.141 1.00 0.00 C ATOM 1259 C LYS A 662 -11.346 -9.042 -3.415 1.00 0.00 C ATOM 1260 O LYS A 662 -12.498 -9.378 -3.683 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.427 -10.626 -3.200 1.00 0.00 C ATOM 1262 CG LYS A 662 -10.358 -11.512 -2.394 1.00 0.00 C ATOM 1263 CD LYS A 662 -9.680 -12.021 -1.134 1.00 0.00 C ATOM 1264 CE LYS A 662 -10.662 -12.740 -0.226 1.00 0.00 C ATOM 1265 NZ LYS A 662 -11.839 -11.891 0.104 1.00 0.00 N ATOM 0 H LYS A 662 -8.281 -8.731 -4.231 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.510 -10.203 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.758 -11.256 -3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -8.804 -10.051 -2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -11.255 -10.953 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -10.679 -12.357 -3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -8.869 -12.698 -1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -9.232 -11.185 -0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -11.000 -13.656 -0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -10.157 -13.034 0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -12.220 -12.170 1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -11.549 -10.893 0.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -12.572 -12.016 -0.623 1.00 0.00 H new ATOM 1279 N GLU A 663 -11.045 -8.131 -2.500 1.00 0.00 N ATOM 1280 CA GLU A 663 -12.070 -7.426 -1.740 1.00 0.00 C ATOM 1281 C GLU A 663 -12.965 -6.624 -2.676 1.00 0.00 C ATOM 1282 O GLU A 663 -14.181 -6.570 -2.496 1.00 0.00 O ATOM 1283 CB GLU A 663 -11.427 -6.501 -0.702 1.00 0.00 C ATOM 1284 CG GLU A 663 -10.687 -7.236 0.408 1.00 0.00 C ATOM 1285 CD GLU A 663 -11.591 -8.151 1.205 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -12.298 -7.650 2.106 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -11.601 -9.372 0.937 1.00 0.00 O ATOM 0 H GLU A 663 -10.090 -7.860 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.680 -8.163 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.731 -5.832 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -12.202 -5.877 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -9.876 -7.821 -0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -10.231 -6.508 1.079 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.351 -6.007 -3.676 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.073 -5.229 -4.674 1.00 0.00 C ATOM 1296 C LEU A 664 -14.007 -6.120 -5.497 1.00 0.00 C ATOM 1297 O LEU A 664 -15.106 -5.711 -5.859 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.092 -4.475 -5.575 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.215 -3.448 -4.848 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.267 -2.759 -5.816 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -12.075 -2.422 -4.126 1.00 0.00 C ATOM 0 H LEU A 664 -11.341 -6.031 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.692 -4.496 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -11.445 -5.199 -6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -12.656 -3.964 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.618 -3.981 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -9.657 -2.036 -5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -9.621 -3.502 -6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -10.843 -2.244 -6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -11.433 -1.703 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -12.703 -1.900 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.706 -2.926 -3.394 1.00 0.00 H new ATOM 1313 N GLU A 665 -13.553 -7.321 -5.825 1.00 0.00 N ATOM 1314 CA GLU A 665 -14.417 -8.309 -6.467 1.00 0.00 C ATOM 1315 C GLU A 665 -15.542 -8.728 -5.519 1.00 0.00 C ATOM 1316 O GLU A 665 -16.709 -8.801 -5.908 1.00 0.00 O ATOM 1317 CB GLU A 665 -13.613 -9.543 -6.886 1.00 0.00 C ATOM 1318 CG GLU A 665 -12.513 -9.250 -7.891 1.00 0.00 C ATOM 1319 CD GLU A 665 -11.810 -10.505 -8.364 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -12.266 -11.103 -9.366 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -10.793 -10.898 -7.750 1.00 0.00 O ATOM 0 H GLU A 665 -12.597 -7.637 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 665 -14.849 -7.852 -7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -13.170 -9.994 -5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -14.294 -10.280 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -12.939 -8.730 -8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -11.784 -8.577 -7.441 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.169 -8.997 -4.273 1.00 0.00 N ATOM 1329 CA GLU A 666 -16.095 -9.490 -3.256 1.00 0.00 C ATOM 1330 C GLU A 666 -17.204 -8.484 -2.934 1.00 0.00 C ATOM 1331 O GLU A 666 -18.370 -8.861 -2.816 1.00 0.00 O ATOM 1332 CB GLU A 666 -15.324 -9.837 -1.982 1.00 0.00 C ATOM 1333 CG GLU A 666 -16.181 -10.475 -0.902 1.00 0.00 C ATOM 1334 CD GLU A 666 -15.397 -10.775 0.355 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -14.681 -11.798 0.383 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -15.499 -9.996 1.327 1.00 0.00 O ATOM 0 H GLU A 666 -14.213 -8.879 -3.937 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.576 -10.381 -3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -14.509 -10.516 -2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.871 -8.929 -1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -17.010 -9.810 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -16.615 -11.399 -1.285 1.00 0.00 H new ATOM 1343 N LYS A 667 -16.840 -7.211 -2.804 1.00 0.00 N ATOM 1344 CA LYS A 667 -17.782 -6.167 -2.401 1.00 0.00 C ATOM 1345 C LYS A 667 -18.989 -6.083 -3.333 1.00 0.00 C ATOM 1346 O LYS A 667 -20.096 -5.791 -2.885 1.00 0.00 O ATOM 1347 CB LYS A 667 -17.098 -4.806 -2.289 1.00 0.00 C ATOM 1348 CG LYS A 667 -16.356 -4.378 -3.535 1.00 0.00 C ATOM 1349 CD LYS A 667 -16.907 -3.073 -4.089 1.00 0.00 C ATOM 1350 CE LYS A 667 -16.255 -2.687 -5.407 1.00 0.00 C ATOM 1351 NZ LYS A 667 -16.786 -1.400 -5.921 1.00 0.00 N ATOM 0 H LYS A 667 -15.892 -6.874 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 667 -18.148 -6.449 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -17.850 -4.053 -2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -16.398 -4.832 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -15.297 -4.260 -3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -16.434 -5.158 -4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -17.983 -3.167 -4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -16.750 -2.277 -3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -15.176 -2.608 -5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -16.427 -3.472 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -16.656 -1.358 -6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -17.799 -1.328 -5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -16.276 -0.611 -5.475 1.00 0.00 H new ATOM 1365 N ARG A 668 -18.767 -6.315 -4.631 1.00 0.00 N ATOM 1366 CA ARG A 668 -19.835 -6.241 -5.630 1.00 0.00 C ATOM 1367 C ARG A 668 -20.911 -7.309 -5.400 1.00 0.00 C ATOM 1368 O ARG A 668 -21.815 -7.500 -6.213 1.00 0.00 O ATOM 1369 CB ARG A 668 -19.254 -6.362 -7.045 1.00 0.00 C ATOM 1370 CG ARG A 668 -20.211 -5.912 -8.139 1.00 0.00 C ATOM 1371 CD ARG A 668 -19.544 -5.910 -9.504 1.00 0.00 C ATOM 1372 NE ARG A 668 -19.298 -7.260 -10.004 1.00 0.00 N ATOM 1373 CZ ARG A 668 -18.495 -7.541 -11.029 1.00 0.00 C ATOM 1374 NH1 ARG A 668 -17.774 -6.579 -11.594 1.00 0.00 N ATOM 1375 NH2 ARG A 668 -18.391 -8.790 -11.471 1.00 0.00 N ATOM 0 H ARG A 668 -17.853 -6.556 -5.014 1.00 0.00 H new ATOM 0 HA ARG A 668 -20.314 -5.268 -5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -18.342 -5.769 -7.106 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -18.972 -7.399 -7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -21.078 -6.573 -8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -20.578 -4.911 -7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -20.174 -5.372 -10.213 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -18.599 -5.370 -9.443 1.00 0.00 H new ATOM 0 HE ARG A 668 -19.770 -8.036 -9.540 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -17.835 -5.623 -11.243 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -17.160 -6.796 -12.379 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -18.926 -9.535 -11.025 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -17.776 -9.004 -12.256 1.00 0.00 H new ATOM 1389 N ARG A 669 -20.760 -8.017 -4.297 1.00 0.00 N ATOM 1390 CA ARG A 669 -21.749 -8.982 -3.818 1.00 0.00 C ATOM 1391 C ARG A 669 -23.178 -8.448 -3.918 1.00 0.00 C ATOM 1392 O ARG A 669 -24.100 -9.205 -4.219 1.00 0.00 O ATOM 1393 CB ARG A 669 -21.448 -9.364 -2.366 1.00 0.00 C ATOM 1394 CG ARG A 669 -22.435 -10.361 -1.775 1.00 0.00 C ATOM 1395 CD ARG A 669 -22.117 -10.667 -0.321 1.00 0.00 C ATOM 1396 NE ARG A 669 -20.847 -11.376 -0.169 1.00 0.00 N ATOM 1397 CZ ARG A 669 -19.952 -11.109 0.784 1.00 0.00 C ATOM 1398 NH1 ARG A 669 -20.150 -10.106 1.635 1.00 0.00 N ATOM 1399 NH2 ARG A 669 -18.850 -11.839 0.880 1.00 0.00 N ATOM 0 H ARG A 669 -19.939 -7.942 -3.696 1.00 0.00 H new ATOM 0 HA ARG A 669 -21.677 -9.860 -4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 669 -20.444 -9.785 -2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 669 -21.448 -8.461 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 669 -23.446 -9.961 -1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 669 -22.413 -11.284 -2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 669 -22.081 -9.736 0.245 1.00 0.00 H new ATOM 0 HD3 ARG A 669 -22.920 -11.268 0.106 1.00 0.00 H new ATOM 0 HE ARG A 669 -20.632 -12.120 -0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 669 -20.991 -9.534 1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 669 -19.461 -9.909 2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 669 -18.687 -12.604 0.226 1.00 0.00 H new ATOM 0 HH22 ARG A 669 -18.165 -11.636 1.608 1.00 0.00 H new ATOM 1413 N SER A 670 -23.374 -7.158 -3.685 1.00 0.00 N ATOM 1414 CA SER A 670 -24.707 -6.591 -3.816 1.00 0.00 C ATOM 1415 C SER A 670 -24.766 -5.455 -4.857 1.00 0.00 C ATOM 1416 O SER A 670 -25.706 -5.414 -5.655 1.00 0.00 O ATOM 1417 CB SER A 670 -25.267 -6.158 -2.444 1.00 0.00 C ATOM 1418 OG SER A 670 -26.580 -5.636 -2.565 1.00 0.00 O ATOM 0 H SER A 670 -22.646 -6.498 -3.411 1.00 0.00 H new ATOM 0 HA SER A 670 -25.355 -7.380 -4.198 1.00 0.00 H new ATOM 0 HB2 SER A 670 -25.274 -7.011 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 670 -24.613 -5.405 -2.003 1.00 0.00 H new ATOM 0 HG SER A 670 -26.910 -5.372 -1.681 1.00 0.00 H new ATOM 1424 N ARG A 671 -23.780 -4.548 -4.885 1.00 0.00 N ATOM 1425 CA ARG A 671 -23.815 -3.450 -5.841 1.00 0.00 C ATOM 1426 C ARG A 671 -22.429 -2.885 -6.122 1.00 0.00 C ATOM 1427 O ARG A 671 -21.706 -2.538 -5.196 1.00 0.00 O ATOM 1428 CB ARG A 671 -24.725 -2.329 -5.326 1.00 0.00 C ATOM 1429 CG ARG A 671 -24.888 -1.170 -6.299 1.00 0.00 C ATOM 1430 CD ARG A 671 -25.688 -0.030 -5.685 1.00 0.00 C ATOM 1431 NE ARG A 671 -24.995 0.569 -4.543 1.00 0.00 N ATOM 1432 CZ ARG A 671 -25.491 1.556 -3.795 1.00 0.00 C ATOM 1433 NH1 ARG A 671 -26.686 2.069 -4.065 1.00 0.00 N ATOM 1434 NH2 ARG A 671 -24.783 2.035 -2.777 1.00 0.00 N ATOM 0 H ARG A 671 -22.968 -4.557 -4.268 1.00 0.00 H new ATOM 0 HA ARG A 671 -24.208 -3.852 -6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -25.708 -2.745 -5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -24.321 -1.949 -4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -23.906 -0.805 -6.599 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -25.387 -1.520 -7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -25.870 0.734 -6.441 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -26.662 -0.401 -5.365 1.00 0.00 H new ATOM 0 HE ARG A 671 -24.072 0.208 -4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -27.231 1.708 -4.848 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -27.059 2.824 -3.489 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -23.862 1.648 -2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -25.160 2.790 -2.204 1.00 0.00 H new ATOM 1448 N LEU A 672 -22.111 -2.790 -7.417 1.00 0.00 N ATOM 1449 CA LEU A 672 -20.878 -2.150 -7.932 1.00 0.00 C ATOM 1450 C LEU A 672 -19.662 -2.346 -7.025 1.00 0.00 C ATOM 1451 O LEU A 672 -18.902 -3.304 -7.251 1.00 0.00 O ATOM 1452 CB LEU A 672 -21.124 -0.652 -8.156 1.00 0.00 C ATOM 1453 CG LEU A 672 -22.159 -0.311 -9.232 1.00 0.00 C ATOM 1454 CD1 LEU A 672 -22.354 1.192 -9.322 1.00 0.00 C ATOM 1455 CD2 LEU A 672 -21.740 -0.875 -10.583 1.00 0.00 C ATOM 1456 OXT LEU A 672 -19.446 -1.517 -6.113 1.00 0.00 O ATOM 0 H LEU A 672 -22.708 -3.160 -8.157 1.00 0.00 H new ATOM 0 HA LEU A 672 -20.644 -2.644 -8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 672 -21.445 -0.209 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 672 -20.178 -0.182 -8.424 1.00 0.00 H new ATOM 0 HG LEU A 672 -23.107 -0.769 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 672 -23.093 1.418 -10.091 1.00 0.00 H new ATOM 0 HD12 LEU A 672 -22.703 1.572 -8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 672 -21.407 1.667 -9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 672 -22.490 -0.621 -11.332 1.00 0.00 H new ATOM 0 HD22 LEU A 672 -20.779 -0.450 -10.873 1.00 0.00 H new ATOM 0 HD23 LEU A 672 -21.651 -1.959 -10.513 1.00 0.00 H new TER 1468 LEU A 672 ATOM 1469 N ASP B 840 -0.418 -16.699 4.736 1.00 0.00 N ATOM 1470 CA ASP B 840 -1.746 -16.148 4.462 1.00 0.00 C ATOM 1471 C ASP B 840 -2.534 -16.027 5.763 1.00 0.00 C ATOM 1472 O ASP B 840 -3.753 -16.200 5.794 1.00 0.00 O ATOM 1473 CB ASP B 840 -2.517 -17.039 3.455 1.00 0.00 C ATOM 1474 CG ASP B 840 -3.539 -16.252 2.661 1.00 0.00 C ATOM 1475 OD1 ASP B 840 -3.138 -15.512 1.741 1.00 0.00 O ATOM 1476 OD2 ASP B 840 -4.751 -16.368 2.952 1.00 0.00 O ATOM 0 HA ASP B 840 -1.625 -15.159 4.020 1.00 0.00 H new ATOM 0 HB2 ASP B 840 -1.809 -17.507 2.770 1.00 0.00 H new ATOM 0 HB3 ASP B 840 -3.019 -17.843 3.994 1.00 0.00 H new ATOM 1481 N ALA B 841 -1.822 -15.729 6.839 1.00 0.00 N ATOM 1482 CA ALA B 841 -2.439 -15.558 8.147 1.00 0.00 C ATOM 1483 C ALA B 841 -2.976 -14.141 8.292 1.00 0.00 C ATOM 1484 O ALA B 841 -2.433 -13.326 9.041 1.00 0.00 O ATOM 1485 CB ALA B 841 -1.439 -15.870 9.249 1.00 0.00 C ATOM 0 H ALA B 841 -0.810 -15.600 6.832 1.00 0.00 H new ATOM 0 HA ALA B 841 -3.273 -16.254 8.236 1.00 0.00 H new ATOM 0 HB1 ALA B 841 -1.915 -15.738 10.221 1.00 0.00 H new ATOM 0 HB2 ALA B 841 -1.098 -16.900 9.150 1.00 0.00 H new ATOM 0 HB3 ALA B 841 -0.586 -15.196 9.168 1.00 0.00 H new ATOM 1491 N GLY B 842 -4.041 -13.859 7.562 1.00 0.00 N ATOM 1492 CA GLY B 842 -4.598 -12.526 7.534 1.00 0.00 C ATOM 1493 C GLY B 842 -3.709 -11.567 6.789 1.00 0.00 C ATOM 1494 O GLY B 842 -3.205 -10.592 7.344 1.00 0.00 O ATOM 0 H GLY B 842 -4.534 -14.538 6.982 1.00 0.00 H new ATOM 0 HA2 GLY B 842 -5.581 -12.552 7.063 1.00 0.00 H new ATOM 0 HA3 GLY B 842 -4.743 -12.171 8.554 1.00 0.00 H new ATOM 1498 N ASN B 843 -3.535 -11.855 5.517 1.00 0.00 N ATOM 1499 CA ASN B 843 -2.704 -11.040 4.639 1.00 0.00 C ATOM 1500 C ASN B 843 -3.580 -10.077 3.857 1.00 0.00 C ATOM 1501 O ASN B 843 -3.199 -9.579 2.799 1.00 0.00 O ATOM 1502 CB ASN B 843 -1.894 -11.919 3.673 1.00 0.00 C ATOM 1503 CG ASN B 843 -0.782 -12.707 4.375 1.00 0.00 C ATOM 1504 OD1 ASN B 843 -0.913 -13.071 5.542 1.00 0.00 O ATOM 1505 ND2 ASN B 843 0.323 -12.978 3.680 1.00 0.00 N ATOM 0 H ASN B 843 -3.963 -12.659 5.057 1.00 0.00 H new ATOM 0 HA ASN B 843 -2.001 -10.477 5.253 1.00 0.00 H new ATOM 0 HB2 ASN B 843 -2.567 -12.616 3.173 1.00 0.00 H new ATOM 0 HB3 ASN B 843 -1.454 -11.290 2.899 1.00 0.00 H new ATOM 0 HD21 ASN B 843 1.084 -13.499 4.115 1.00 0.00 H new ATOM 0 HD22 ASN B 843 0.407 -12.665 2.713 1.00 0.00 H new ATOM 1512 N ILE B 844 -4.762 -9.826 4.393 1.00 0.00 N ATOM 1513 CA ILE B 844 -5.721 -8.924 3.765 1.00 0.00 C ATOM 1514 C ILE B 844 -5.677 -7.574 4.465 1.00 0.00 C ATOM 1515 O ILE B 844 -5.425 -7.505 5.671 1.00 0.00 O ATOM 1516 CB ILE B 844 -7.174 -9.486 3.800 1.00 0.00 C ATOM 1517 CG1 ILE B 844 -7.203 -10.921 3.255 1.00 0.00 C ATOM 1518 CG2 ILE B 844 -8.114 -8.593 2.996 1.00 0.00 C ATOM 1519 CD1 ILE B 844 -8.585 -11.535 3.207 1.00 0.00 C ATOM 0 H ILE B 844 -5.085 -10.236 5.269 1.00 0.00 H new ATOM 0 HA ILE B 844 -5.439 -8.819 2.717 1.00 0.00 H new ATOM 0 HB ILE B 844 -7.514 -9.499 4.835 1.00 0.00 H new ATOM 0 HG12 ILE B 844 -6.780 -10.925 2.250 1.00 0.00 H new ATOM 0 HG13 ILE B 844 -6.560 -11.547 3.874 1.00 0.00 H new ATOM 0 HG21 ILE B 844 -9.124 -9.002 3.032 1.00 0.00 H new ATOM 0 HG22 ILE B 844 -8.113 -7.589 3.420 1.00 0.00 H new ATOM 0 HG23 ILE B 844 -7.777 -8.549 1.960 1.00 0.00 H new ATOM 0 HD11 ILE B 844 -8.519 -12.548 2.811 1.00 0.00 H new ATOM 0 HD12 ILE B 844 -9.005 -11.565 4.212 1.00 0.00 H new ATOM 0 HD13 ILE B 844 -9.228 -10.934 2.563 1.00 0.00 H new ATOM 1531 N LEU B 845 -5.905 -6.506 3.713 1.00 0.00 N ATOM 1532 CA LEU B 845 -5.857 -5.167 4.270 1.00 0.00 C ATOM 1533 C LEU B 845 -7.157 -4.868 5.009 1.00 0.00 C ATOM 1534 O LEU B 845 -8.245 -5.167 4.511 1.00 0.00 O ATOM 1535 CB LEU B 845 -5.587 -4.124 3.176 1.00 0.00 C ATOM 1536 CG LEU B 845 -4.185 -4.188 2.547 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -4.144 -5.171 1.383 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -3.733 -2.808 2.094 1.00 0.00 C ATOM 0 H LEU B 845 -6.124 -6.544 2.718 1.00 0.00 H new ATOM 0 HA LEU B 845 -5.032 -5.112 4.981 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -6.329 -4.247 2.387 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -5.734 -3.130 3.599 1.00 0.00 H new ATOM 0 HG LEU B 845 -3.496 -4.544 3.312 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -3.139 -5.193 0.960 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -4.410 -6.167 1.738 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -4.853 -4.858 0.617 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -2.739 -2.878 1.652 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -4.433 -2.421 1.353 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -3.703 -2.135 2.951 1.00 0.00 H new ATOM 1550 N PRO B 846 -7.025 -4.297 6.225 1.00 0.00 N ATOM 1551 CA PRO B 846 -8.126 -4.025 7.157 1.00 0.00 C ATOM 1552 C PRO B 846 -9.439 -3.620 6.499 1.00 0.00 C ATOM 1553 O PRO B 846 -9.496 -2.702 5.674 1.00 0.00 O ATOM 1554 CB PRO B 846 -7.577 -2.866 7.978 1.00 0.00 C ATOM 1555 CG PRO B 846 -6.119 -3.141 8.070 1.00 0.00 C ATOM 1556 CD PRO B 846 -5.737 -3.870 6.805 1.00 0.00 C ATOM 0 HA PRO B 846 -8.391 -4.921 7.719 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -7.772 -1.909 7.495 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -8.037 -2.824 8.965 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -5.555 -2.213 8.168 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -5.893 -3.745 8.949 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -5.189 -3.221 6.122 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -5.094 -4.724 7.017 1.00 0.00 H new ATOM 1564 N SER B 847 -10.491 -4.312 6.918 1.00 0.00 N ATOM 1565 CA SER B 847 -11.848 -4.051 6.476 1.00 0.00 C ATOM 1566 C SER B 847 -12.228 -2.593 6.720 1.00 0.00 C ATOM 1567 O SER B 847 -12.910 -1.978 5.903 1.00 0.00 O ATOM 1568 CB SER B 847 -12.803 -4.981 7.225 1.00 0.00 C ATOM 1569 OG SER B 847 -12.416 -6.336 7.057 1.00 0.00 O ATOM 0 H SER B 847 -10.421 -5.081 7.584 1.00 0.00 H new ATOM 0 HA SER B 847 -11.917 -4.239 5.405 1.00 0.00 H new ATOM 0 HB2 SER B 847 -12.809 -4.728 8.285 1.00 0.00 H new ATOM 0 HB3 SER B 847 -13.819 -4.839 6.858 1.00 0.00 H new ATOM 0 HG SER B 847 -13.037 -6.916 7.544 1.00 0.00 H new ATOM 1575 N ASP B 848 -11.780 -2.057 7.854 1.00 0.00 N ATOM 1576 CA ASP B 848 -12.109 -0.690 8.262 1.00 0.00 C ATOM 1577 C ASP B 848 -11.658 0.336 7.219 1.00 0.00 C ATOM 1578 O ASP B 848 -12.413 1.241 6.861 1.00 0.00 O ATOM 1579 CB ASP B 848 -11.465 -0.373 9.612 1.00 0.00 C ATOM 1580 CG ASP B 848 -12.016 0.895 10.228 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -13.196 0.889 10.637 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -11.278 1.899 10.311 1.00 0.00 O ATOM 0 H ASP B 848 -11.182 -2.554 8.514 1.00 0.00 H new ATOM 0 HA ASP B 848 -13.193 -0.625 8.351 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -11.629 -1.207 10.295 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -10.387 -0.273 9.483 1.00 0.00 H new ATOM 1587 N ILE B 849 -10.420 0.199 6.748 1.00 0.00 N ATOM 1588 CA ILE B 849 -9.891 1.090 5.714 1.00 0.00 C ATOM 1589 C ILE B 849 -10.653 0.896 4.403 1.00 0.00 C ATOM 1590 O ILE B 849 -10.958 1.859 3.699 1.00 0.00 O ATOM 1591 CB ILE B 849 -8.373 0.877 5.474 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -7.599 0.971 6.797 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -7.848 1.906 4.479 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -7.716 2.312 7.501 1.00 0.00 C ATOM 0 H ILE B 849 -9.766 -0.517 7.064 1.00 0.00 H new ATOM 0 HA ILE B 849 -10.030 2.110 6.072 1.00 0.00 H new ATOM 0 HB ILE B 849 -8.225 -0.120 5.059 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -7.956 0.190 7.468 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -6.546 0.768 6.603 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -6.782 1.746 4.319 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -8.377 1.799 3.532 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -8.009 2.909 4.874 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -7.139 2.289 8.425 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -7.331 3.098 6.852 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -8.762 2.512 7.731 1.00 0.00 H new ATOM 1606 N MET B 850 -10.959 -0.362 4.093 1.00 0.00 N ATOM 1607 CA MET B 850 -11.754 -0.710 2.915 1.00 0.00 C ATOM 1608 C MET B 850 -13.091 0.024 2.923 1.00 0.00 C ATOM 1609 O MET B 850 -13.581 0.447 1.879 1.00 0.00 O ATOM 1610 CB MET B 850 -11.993 -2.226 2.846 1.00 0.00 C ATOM 1611 CG MET B 850 -10.738 -3.056 2.607 1.00 0.00 C ATOM 1612 SD MET B 850 -10.310 -3.245 0.858 1.00 0.00 S ATOM 1613 CE MET B 850 -9.833 -1.581 0.397 1.00 0.00 C ATOM 0 H MET B 850 -10.665 -1.166 4.648 1.00 0.00 H new ATOM 0 HA MET B 850 -11.191 -0.402 2.034 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.455 -2.550 3.778 1.00 0.00 H new ATOM 0 HB3 MET B 850 -12.706 -2.432 2.048 1.00 0.00 H new ATOM 0 HG2 MET B 850 -9.901 -2.591 3.128 1.00 0.00 H new ATOM 0 HG3 MET B 850 -10.878 -4.044 3.046 1.00 0.00 H new ATOM 0 HE1 MET B 850 -9.100 -1.623 -0.408 1.00 0.00 H new ATOM 0 HE2 MET B 850 -10.712 -1.031 0.060 1.00 0.00 H new ATOM 0 HE3 MET B 850 -9.397 -1.076 1.259 1.00 0.00 H new ATOM 1623 N ASP B 851 -13.671 0.167 4.108 1.00 0.00 N ATOM 1624 CA ASP B 851 -14.962 0.832 4.271 1.00 0.00 C ATOM 1625 C ASP B 851 -14.957 2.224 3.649 1.00 0.00 C ATOM 1626 O ASP B 851 -15.966 2.653 3.096 1.00 0.00 O ATOM 1627 CB ASP B 851 -15.356 0.937 5.753 1.00 0.00 C ATOM 1628 CG ASP B 851 -15.761 -0.393 6.347 1.00 0.00 C ATOM 1629 OD1 ASP B 851 -16.691 -1.035 5.811 1.00 0.00 O ATOM 1630 OD2 ASP B 851 -15.169 -0.800 7.366 1.00 0.00 O ATOM 0 H ASP B 851 -13.264 -0.172 4.980 1.00 0.00 H new ATOM 0 HA ASP B 851 -15.698 0.218 3.752 1.00 0.00 H new ATOM 0 HB2 ASP B 851 -14.518 1.342 6.319 1.00 0.00 H new ATOM 0 HB3 ASP B 851 -16.181 1.642 5.856 1.00 0.00 H new ATOM 1635 N PHE B 852 -13.831 2.931 3.750 1.00 0.00 N ATOM 1636 CA PHE B 852 -13.751 4.303 3.249 1.00 0.00 C ATOM 1637 C PHE B 852 -14.155 4.382 1.775 1.00 0.00 C ATOM 1638 O PHE B 852 -15.014 5.183 1.414 1.00 0.00 O ATOM 1639 CB PHE B 852 -12.334 4.873 3.419 1.00 0.00 C ATOM 1640 CG PHE B 852 -11.867 5.004 4.845 1.00 0.00 C ATOM 1641 CD1 PHE B 852 -12.771 5.088 5.892 1.00 0.00 C ATOM 1642 CD2 PHE B 852 -10.513 5.061 5.131 1.00 0.00 C ATOM 1643 CE1 PHE B 852 -12.332 5.222 7.194 1.00 0.00 C ATOM 1644 CE2 PHE B 852 -10.069 5.194 6.432 1.00 0.00 C ATOM 1645 CZ PHE B 852 -10.980 5.274 7.464 1.00 0.00 C ATOM 0 H PHE B 852 -12.970 2.581 4.170 1.00 0.00 H new ATOM 0 HA PHE B 852 -14.448 4.899 3.838 1.00 0.00 H new ATOM 0 HB2 PHE B 852 -11.634 4.233 2.881 1.00 0.00 H new ATOM 0 HB3 PHE B 852 -12.295 5.855 2.948 1.00 0.00 H new ATOM 0 HD1 PHE B 852 -13.831 5.048 5.687 1.00 0.00 H new ATOM 0 HD2 PHE B 852 -9.795 5.001 4.326 1.00 0.00 H new ATOM 0 HE1 PHE B 852 -13.047 5.286 8.001 1.00 0.00 H new ATOM 0 HE2 PHE B 852 -9.010 5.235 6.641 1.00 0.00 H new ATOM 0 HZ PHE B 852 -10.636 5.377 8.482 1.00 0.00 H new ATOM 1655 N VAL B 853 -13.547 3.549 0.930 1.00 0.00 N ATOM 1656 CA VAL B 853 -13.902 3.512 -0.488 1.00 0.00 C ATOM 1657 C VAL B 853 -15.308 2.939 -0.692 1.00 0.00 C ATOM 1658 O VAL B 853 -16.075 3.426 -1.522 1.00 0.00 O ATOM 1659 CB VAL B 853 -12.859 2.741 -1.342 1.00 0.00 C ATOM 1660 CG1 VAL B 853 -12.662 1.317 -0.850 1.00 0.00 C ATOM 1661 CG2 VAL B 853 -13.258 2.746 -2.813 1.00 0.00 C ATOM 0 H VAL B 853 -12.812 2.896 1.200 1.00 0.00 H new ATOM 0 HA VAL B 853 -13.898 4.544 -0.838 1.00 0.00 H new ATOM 0 HB VAL B 853 -11.906 3.259 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL B 853 -11.924 0.815 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL B 853 -12.311 1.334 0.182 1.00 0.00 H new ATOM 0 HG13 VAL B 853 -13.609 0.780 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL B 853 -12.514 2.201 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL B 853 -14.230 2.267 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL B 853 -13.315 3.774 -3.171 1.00 0.00 H new ATOM 1671 N LEU B 854 -15.636 1.904 0.079 1.00 0.00 N ATOM 1672 CA LEU B 854 -16.941 1.246 -0.007 1.00 0.00 C ATOM 1673 C LEU B 854 -18.082 2.231 0.238 1.00 0.00 C ATOM 1674 O LEU B 854 -19.117 2.168 -0.427 1.00 0.00 O ATOM 1675 CB LEU B 854 -17.031 0.087 1.000 1.00 0.00 C ATOM 1676 CG LEU B 854 -16.571 -1.299 0.509 1.00 0.00 C ATOM 1677 CD1 LEU B 854 -17.615 -1.939 -0.395 1.00 0.00 C ATOM 1678 CD2 LEU B 854 -15.237 -1.216 -0.216 1.00 0.00 C ATOM 0 H LEU B 854 -15.011 1.499 0.776 1.00 0.00 H new ATOM 0 HA LEU B 854 -17.040 0.852 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU B 854 -16.438 0.351 1.875 1.00 0.00 H new ATOM 0 HB3 LEU B 854 -18.066 0.004 1.330 1.00 0.00 H new ATOM 0 HG LEU B 854 -16.445 -1.926 1.392 1.00 0.00 H new ATOM 0 HD11 LEU B 854 -17.261 -2.916 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU B 854 -18.549 -2.058 0.155 1.00 0.00 H new ATOM 0 HD13 LEU B 854 -17.784 -1.302 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU B 854 -14.941 -2.211 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU B 854 -15.332 -0.558 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU B 854 -14.479 -0.820 0.460 1.00 0.00 H new ATOM 1690 N LYS B 855 -17.887 3.144 1.183 1.00 0.00 N ATOM 1691 CA LYS B 855 -18.946 4.068 1.586 1.00 0.00 C ATOM 1692 C LYS B 855 -18.648 5.476 1.056 1.00 0.00 C ATOM 1693 O LYS B 855 -18.945 6.484 1.702 1.00 0.00 O ATOM 1694 CB LYS B 855 -19.085 4.065 3.119 1.00 0.00 C ATOM 1695 CG LYS B 855 -20.287 4.842 3.664 1.00 0.00 C ATOM 1696 CD LYS B 855 -20.313 4.830 5.186 1.00 0.00 C ATOM 1697 CE LYS B 855 -19.065 5.471 5.775 1.00 0.00 C ATOM 1698 NZ LYS B 855 -19.109 5.510 7.260 1.00 0.00 N ATOM 0 H LYS B 855 -17.007 3.266 1.685 1.00 0.00 H new ATOM 0 HA LYS B 855 -19.894 3.743 1.157 1.00 0.00 H new ATOM 0 HB2 LYS B 855 -19.155 3.032 3.460 1.00 0.00 H new ATOM 0 HB3 LYS B 855 -18.176 4.483 3.552 1.00 0.00 H new ATOM 0 HG2 LYS B 855 -20.249 5.871 3.307 1.00 0.00 H new ATOM 0 HG3 LYS B 855 -21.209 4.406 3.279 1.00 0.00 H new ATOM 0 HD2 LYS B 855 -21.197 5.362 5.539 1.00 0.00 H new ATOM 0 HD3 LYS B 855 -20.396 3.803 5.541 1.00 0.00 H new ATOM 0 HE2 LYS B 855 -18.185 4.915 5.453 1.00 0.00 H new ATOM 0 HE3 LYS B 855 -18.961 6.485 5.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 855 -18.241 5.954 7.621 1.00 0.00 H new ATOM 0 HZ2 LYS B 855 -19.935 6.062 7.568 1.00 0.00 H new ATOM 0 HZ3 LYS B 855 -19.183 4.541 7.631 1.00 0.00 H new ATOM 1712 N ASN B 856 -18.032 5.544 -0.115 1.00 0.00 N ATOM 1713 CA ASN B 856 -17.736 6.825 -0.746 1.00 0.00 C ATOM 1714 C ASN B 856 -18.051 6.773 -2.232 1.00 0.00 C ATOM 1715 O ASN B 856 -17.774 5.776 -2.897 1.00 0.00 O ATOM 1716 CB ASN B 856 -16.269 7.213 -0.527 1.00 0.00 C ATOM 1717 CG ASN B 856 -15.875 8.475 -1.272 1.00 0.00 C ATOM 1718 OD1 ASN B 856 -15.350 8.417 -2.381 1.00 0.00 O ATOM 1719 ND2 ASN B 856 -16.139 9.626 -0.674 1.00 0.00 N ATOM 0 H ASN B 856 -17.727 4.730 -0.648 1.00 0.00 H new ATOM 0 HA ASN B 856 -18.366 7.585 -0.283 1.00 0.00 H new ATOM 0 HB2 ASN B 856 -16.091 7.356 0.539 1.00 0.00 H new ATOM 0 HB3 ASN B 856 -15.629 6.392 -0.850 1.00 0.00 H new ATOM 0 HD21 ASN B 856 -15.905 10.505 -1.135 1.00 0.00 H new ATOM 0 HD22 ASN B 856 -16.576 9.633 0.248 1.00 0.00 H new ATOM 1726 N THR B 857 -18.655 7.833 -2.742 1.00 0.00 N ATOM 1727 CA THR B 857 -18.952 7.932 -4.155 1.00 0.00 C ATOM 1728 C THR B 857 -18.054 8.990 -4.808 1.00 0.00 C ATOM 1729 O THR B 857 -18.362 10.183 -4.783 1.00 0.00 O ATOM 1730 CB THR B 857 -20.437 8.277 -4.379 1.00 0.00 C ATOM 1731 OG1 THR B 857 -21.256 7.446 -3.540 1.00 0.00 O ATOM 1732 CG2 THR B 857 -20.832 8.064 -5.832 1.00 0.00 C ATOM 0 H THR B 857 -18.950 8.640 -2.192 1.00 0.00 H new ATOM 0 HA THR B 857 -18.754 6.965 -4.618 1.00 0.00 H new ATOM 0 HB THR B 857 -20.586 9.327 -4.127 1.00 0.00 H new ATOM 0 HG1 THR B 857 -22.200 7.667 -3.682 1.00 0.00 H new ATOM 0 HG21 THR B 857 -21.885 8.315 -5.963 1.00 0.00 H new ATOM 0 HG22 THR B 857 -20.224 8.704 -6.472 1.00 0.00 H new ATOM 0 HG23 THR B 857 -20.671 7.021 -6.104 1.00 0.00 H new ATOM 1740 N PRO B 858 -16.918 8.557 -5.380 1.00 0.00 N ATOM 1741 CA PRO B 858 -15.914 9.464 -5.953 1.00 0.00 C ATOM 1742 C PRO B 858 -16.403 10.187 -7.205 1.00 0.00 C ATOM 1743 O PRO B 858 -16.730 11.387 -7.110 1.00 0.00 O ATOM 1744 CB PRO B 858 -14.741 8.540 -6.289 1.00 0.00 C ATOM 1745 CG PRO B 858 -15.334 7.178 -6.420 1.00 0.00 C ATOM 1746 CD PRO B 858 -16.523 7.142 -5.504 1.00 0.00 C ATOM 1747 OXT PRO B 858 -16.459 9.555 -8.283 1.00 0.00 O ATOM 0 HA PRO B 858 -15.660 10.264 -5.257 1.00 0.00 H new ATOM 0 HB2 PRO B 858 -14.252 8.846 -7.214 1.00 0.00 H new ATOM 0 HB3 PRO B 858 -13.984 8.565 -5.505 1.00 0.00 H new ATOM 0 HG2 PRO B 858 -15.632 6.982 -7.450 1.00 0.00 H new ATOM 0 HG3 PRO B 858 -14.609 6.411 -6.146 1.00 0.00 H new ATOM 0 HD2 PRO B 858 -17.329 6.537 -5.919 1.00 0.00 H new ATOM 0 HD3 PRO B 858 -16.268 6.712 -4.535 1.00 0.00 H new TER 1755 PRO B 858