USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 0 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 39 TYR OH : rot -113:sc= 1.01 USER MOD Set 1.2: A 57 GLN :FLIP amide:sc= 0.866 F(o=1.4,f=1.9) USER MOD Set 2.1: A 45 THR OG1 : rot 158:sc= 1.07 USER MOD Set 2.2: A 47 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 54 SER OG : rot -35:sc= 1.89 USER MOD Set 3.1: A 37 ASN : amide:sc= 0.71 K(o=1.7,f=-4.2!) USER MOD Set 3.2: A 60 SER OG : rot -52:sc= 1.02 USER MOD Set 4.1: A 34 TYR OH : rot 180:sc= 0.654 USER MOD Set 4.2: A 35 LYS NZ :NH3+ 169:sc= 1 (180deg=-0.00625) USER MOD Set 5.1: A 31 SER OG : rot -62:sc= 1.1 USER MOD Set 5.2: A 40 THR OG1 : rot 15:sc= 0.702 USER MOD Set 6.1: A 25 HIS : no HD1:sc= -1.78 K(o=-0.88,f=-5.5!) USER MOD Set 6.2: A 44 TYR OH : rot 36:sc= 0.902 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0501) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.119 (180deg=-0.349) USER MOD Single : A 6 ASN : amide:sc= -0.0612 X(o=-0.061,f=-0.061) USER MOD Single : A 8 ASN : amide:sc= 1.12 K(o=1.1,f=-0.25) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.208 K(o=-0.21,f=-0.84) USER MOD Single : A 15 SER OG : rot 146:sc= 1.61 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.115) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.537 USER MOD Single : A 26 ASN : amide:sc= 1.7 K(o=1.7,f=-4.1!) USER MOD Single : A 30 GLN : amide:sc= -0.371 K(o=-0.37,f=-2.6!) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.193 F(o=-1.8,f=-0.19) USER MOD Single : A 51 SER OG : rot 100:sc= 0.8 USER MOD Single : A 53 SER OG : rot 180:sc= 0.00682 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 1.2 K(o=1.2,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.639 11.809 -6.766 1.00 0.00 N ATOM 2 CA MET A 1 -11.907 12.447 -5.682 1.00 0.00 C ATOM 3 C MET A 1 -12.201 11.722 -4.358 1.00 0.00 C ATOM 4 O MET A 1 -12.791 10.642 -4.343 1.00 0.00 O ATOM 5 CB MET A 1 -12.290 13.937 -5.621 1.00 0.00 C ATOM 6 CG MET A 1 -11.996 14.674 -6.935 1.00 0.00 C ATOM 7 SD MET A 1 -12.150 16.479 -6.864 1.00 0.00 S ATOM 8 CE MET A 1 -13.912 16.646 -6.503 1.00 0.00 C ATOM 0 H1 MET A 1 -12.011 11.689 -7.586 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.981 10.878 -6.453 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.449 12.403 -7.035 1.00 0.00 H new ATOM 0 HA MET A 1 -10.834 12.381 -5.859 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.351 14.027 -5.387 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.743 14.416 -4.809 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.984 14.425 -7.253 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.673 14.298 -7.702 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.184 17.702 -6.498 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.491 16.126 -7.266 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.126 16.211 -5.527 1.00 0.00 H new ATOM 9 N GLY A 2 -11.769 12.306 -3.236 1.00 0.00 N ATOM 10 CA GLY A 2 -11.967 11.729 -1.912 1.00 0.00 C ATOM 11 C GLY A 2 -11.282 10.368 -1.790 1.00 0.00 C ATOM 12 O GLY A 2 -11.774 9.462 -1.118 1.00 0.00 O ATOM 0 H GLY A 2 -11.271 13.196 -3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -11.572 12.406 -1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.034 11.620 -1.716 1.00 0.00 H new ATOM 13 N ASP A 3 -10.109 10.243 -2.410 1.00 0.00 N ATOM 14 CA ASP A 3 -9.290 9.043 -2.419 1.00 0.00 C ATOM 15 C ASP A 3 -8.592 8.898 -1.068 1.00 0.00 C ATOM 16 O ASP A 3 -7.375 9.003 -1.012 1.00 0.00 O ATOM 17 CB ASP A 3 -8.278 9.106 -3.591 1.00 0.00 C ATOM 18 CG ASP A 3 -7.418 10.371 -3.641 1.00 0.00 C ATOM 19 OD1 ASP A 3 -7.984 11.469 -3.434 1.00 0.00 O ATOM 20 OD2 ASP A 3 -6.212 10.215 -3.932 1.00 0.00 O ATOM 0 H ASP A 3 -9.691 11.008 -2.939 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.913 8.162 -2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.619 8.240 -3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.827 9.022 -4.529 1.00 0.00 H new ATOM 21 N CYS A 4 -9.359 8.714 0.020 1.00 0.00 N ATOM 22 CA CYS A 4 -8.907 8.513 1.401 1.00 0.00 C ATOM 23 C CYS A 4 -7.804 9.485 1.849 1.00 0.00 C ATOM 24 O CYS A 4 -7.054 9.208 2.785 1.00 0.00 O ATOM 25 CB CYS A 4 -8.517 7.064 1.555 1.00 0.00 C ATOM 26 SG CYS A 4 -9.796 5.833 1.262 1.00 0.00 S ATOM 0 H CYS A 4 -10.377 8.701 -0.050 1.00 0.00 H new ATOM 0 HA CYS A 4 -9.730 8.748 2.076 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -7.691 6.862 0.873 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -8.137 6.922 2.567 1.00 0.00 H new ATOM 27 N ALA A 5 -7.797 10.670 1.237 1.00 0.00 N ATOM 28 CA ALA A 5 -6.873 11.784 1.439 1.00 0.00 C ATOM 29 C ALA A 5 -6.651 12.152 2.910 1.00 0.00 C ATOM 30 O ALA A 5 -5.666 12.809 3.235 1.00 0.00 O ATOM 31 CB ALA A 5 -7.400 12.997 0.667 1.00 0.00 C ATOM 0 H ALA A 5 -8.496 10.892 0.529 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.899 11.468 1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.722 13.839 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.463 12.754 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.390 13.263 1.038 1.00 0.00 H new ATOM 32 N ASN A 6 -7.580 11.778 3.796 1.00 0.00 N ATOM 33 CA ASN A 6 -7.463 12.021 5.228 1.00 0.00 C ATOM 34 C ASN A 6 -6.175 11.387 5.762 1.00 0.00 C ATOM 35 O ASN A 6 -5.544 11.935 6.663 1.00 0.00 O ATOM 36 CB ASN A 6 -8.661 11.418 5.976 1.00 0.00 C ATOM 37 CG ASN A 6 -9.997 11.914 5.436 1.00 0.00 C ATOM 38 OD1 ASN A 6 -10.382 13.056 5.653 1.00 0.00 O ATOM 39 ND2 ASN A 6 -10.713 11.057 4.711 1.00 0.00 N ATOM 0 H ASN A 6 -8.439 11.295 3.532 1.00 0.00 H new ATOM 0 HA ASN A 6 -7.441 13.099 5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -8.623 10.331 5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -8.586 11.666 7.035 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -11.609 11.345 4.319 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -10.365 10.112 4.548 1.00 0.00 H new ATOM 40 N ALA A 7 -5.817 10.210 5.235 1.00 0.00 N ATOM 41 CA ALA A 7 -4.619 9.478 5.619 1.00 0.00 C ATOM 42 C ALA A 7 -3.510 9.733 4.595 1.00 0.00 C ATOM 43 O ALA A 7 -3.731 10.406 3.591 1.00 0.00 O ATOM 44 CB ALA A 7 -4.966 7.989 5.708 1.00 0.00 C ATOM 0 H ALA A 7 -6.366 9.737 4.517 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.258 9.814 6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.078 7.425 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.747 7.841 6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.320 7.639 4.738 1.00 0.00 H new ATOM 45 N ASN A 8 -2.312 9.192 4.845 1.00 0.00 N ATOM 46 CA ASN A 8 -1.157 9.334 3.963 1.00 0.00 C ATOM 47 C ASN A 8 -1.501 8.874 2.548 1.00 0.00 C ATOM 48 O ASN A 8 -1.458 7.683 2.261 1.00 0.00 O ATOM 49 CB ASN A 8 0.015 8.487 4.466 1.00 0.00 C ATOM 50 CG ASN A 8 0.711 9.098 5.673 1.00 0.00 C ATOM 51 OD1 ASN A 8 0.161 9.097 6.769 1.00 0.00 O ATOM 52 ND2 ASN A 8 1.919 9.622 5.491 1.00 0.00 N ATOM 0 H ASN A 8 -2.119 8.636 5.678 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.879 10.388 3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.347 7.493 4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.738 8.362 3.660 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.417 10.040 6.277 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.348 9.606 4.566 1.00 0.00 H new ATOM 53 N VAL A 9 -1.817 9.816 1.665 1.00 0.00 N ATOM 54 CA VAL A 9 -2.174 9.570 0.277 1.00 0.00 C ATOM 55 C VAL A 9 -0.945 9.780 -0.592 1.00 0.00 C ATOM 56 O VAL A 9 -0.280 10.801 -0.463 1.00 0.00 O ATOM 57 CB VAL A 9 -3.354 10.466 -0.127 1.00 0.00 C ATOM 58 CG1 VAL A 9 -3.155 11.963 0.120 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.728 10.269 -1.603 1.00 0.00 C ATOM 0 H VAL A 9 -1.831 10.807 1.908 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.504 8.541 0.139 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.158 10.139 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.045 12.506 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.985 12.137 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.293 12.314 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.567 10.918 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.873 10.519 -2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.010 9.230 -1.771 1.00 0.00 H new ATOM 60 N TYR A 10 -0.609 8.806 -1.440 1.00 0.00 N ATOM 61 CA TYR A 10 0.532 8.893 -2.344 1.00 0.00 C ATOM 62 C TYR A 10 0.606 10.287 -3.001 1.00 0.00 C ATOM 63 O TYR A 10 -0.420 10.760 -3.491 1.00 0.00 O ATOM 64 CB TYR A 10 0.378 7.788 -3.402 1.00 0.00 C ATOM 65 CG TYR A 10 1.066 8.060 -4.726 1.00 0.00 C ATOM 66 CD1 TYR A 10 2.426 7.756 -4.875 1.00 0.00 C ATOM 67 CD2 TYR A 10 0.378 8.709 -5.770 1.00 0.00 C ATOM 68 CE1 TYR A 10 3.101 8.083 -6.063 1.00 0.00 C ATOM 69 CE2 TYR A 10 1.052 9.041 -6.958 1.00 0.00 C ATOM 70 CZ TYR A 10 2.413 8.722 -7.106 1.00 0.00 C ATOM 71 OH TYR A 10 3.067 9.016 -8.264 1.00 0.00 O ATOM 0 H TYR A 10 -1.126 7.930 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 10 1.462 8.753 -1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.770 6.857 -2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.684 7.631 -3.588 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.958 7.268 -4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.668 8.952 -5.658 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.148 7.843 -6.173 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.524 9.541 -7.757 1.00 0.00 H new ATOM 0 HH TYR A 10 2.450 9.456 -8.885 1.00 0.00 H new ATOM 72 N PRO A 11 1.782 10.942 -3.073 1.00 0.00 N ATOM 73 CA PRO A 11 3.094 10.499 -2.605 1.00 0.00 C ATOM 74 C PRO A 11 3.432 10.923 -1.173 1.00 0.00 C ATOM 75 O PRO A 11 4.607 11.135 -0.881 1.00 0.00 O ATOM 76 CB PRO A 11 4.085 11.125 -3.585 1.00 0.00 C ATOM 77 CG PRO A 11 3.420 12.458 -3.932 1.00 0.00 C ATOM 78 CD PRO A 11 1.925 12.136 -3.891 1.00 0.00 C ATOM 0 HA PRO A 11 3.125 9.410 -2.576 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.066 11.268 -3.132 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.229 10.502 -4.468 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.682 13.236 -3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.726 12.815 -4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.361 12.967 -3.467 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.537 11.967 -4.895 1.00 0.00 H new ATOM 79 N ASN A 12 2.461 11.043 -0.260 1.00 0.00 N ATOM 80 CA ASN A 12 2.724 11.391 1.132 1.00 0.00 C ATOM 81 C ASN A 12 3.296 10.172 1.859 1.00 0.00 C ATOM 82 O ASN A 12 2.684 9.646 2.787 1.00 0.00 O ATOM 83 CB ASN A 12 1.434 11.884 1.805 1.00 0.00 C ATOM 84 CG ASN A 12 0.848 13.089 1.082 1.00 0.00 C ATOM 85 OD1 ASN A 12 1.536 13.810 0.367 1.00 0.00 O ATOM 86 ND2 ASN A 12 -0.452 13.297 1.219 1.00 0.00 N ATOM 0 H ASN A 12 1.473 10.901 -0.470 1.00 0.00 H new ATOM 0 HA ASN A 12 3.455 12.199 1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.701 11.078 1.822 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.642 12.147 2.842 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.900 14.069 0.725 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.006 12.685 1.819 1.00 0.00 H new ATOM 87 N TRP A 13 4.458 9.705 1.404 1.00 0.00 N ATOM 88 CA TRP A 13 5.192 8.573 1.940 1.00 0.00 C ATOM 89 C TRP A 13 5.384 8.631 3.453 1.00 0.00 C ATOM 90 O TRP A 13 5.295 9.689 4.075 1.00 0.00 O ATOM 91 CB TRP A 13 6.598 8.622 1.365 1.00 0.00 C ATOM 92 CG TRP A 13 6.790 8.644 -0.103 1.00 0.00 C ATOM 93 CD1 TRP A 13 7.630 9.493 -0.719 1.00 0.00 C ATOM 94 CD2 TRP A 13 6.211 7.815 -1.143 1.00 0.00 C ATOM 95 NE1 TRP A 13 7.559 9.313 -2.086 1.00 0.00 N ATOM 96 CE2 TRP A 13 6.680 8.295 -2.401 1.00 0.00 C ATOM 97 CE3 TRP A 13 5.357 6.695 -1.152 1.00 0.00 C ATOM 98 CZ2 TRP A 13 6.268 7.726 -3.613 1.00 0.00 C ATOM 99 CZ3 TRP A 13 4.904 6.147 -2.363 1.00 0.00 C ATOM 100 CH2 TRP A 13 5.381 6.638 -3.589 1.00 0.00 C ATOM 0 H TRP A 13 4.933 10.133 0.609 1.00 0.00 H new ATOM 0 HA TRP A 13 4.620 7.681 1.684 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.085 9.509 1.770 1.00 0.00 H new ATOM 0 HB3 TRP A 13 7.138 7.757 1.751 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.266 10.209 -0.219 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.084 9.858 -2.770 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.047 6.253 -0.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.628 8.119 -4.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.184 5.342 -2.351 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.065 6.178 -4.514 1.00 0.00 H new ATOM 101 N VAL A 14 5.746 7.482 4.020 1.00 0.00 N ATOM 102 CA VAL A 14 6.032 7.370 5.439 1.00 0.00 C ATOM 103 C VAL A 14 7.447 7.882 5.737 1.00 0.00 C ATOM 104 O VAL A 14 7.657 8.492 6.783 1.00 0.00 O ATOM 105 CB VAL A 14 5.812 5.917 5.883 1.00 0.00 C ATOM 106 CG1 VAL A 14 6.179 5.716 7.359 1.00 0.00 C ATOM 107 CG2 VAL A 14 4.326 5.592 5.695 1.00 0.00 C ATOM 0 H VAL A 14 5.848 6.607 3.505 1.00 0.00 H new ATOM 0 HA VAL A 14 5.352 7.996 6.016 1.00 0.00 H new ATOM 0 HB VAL A 14 6.448 5.263 5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.010 4.676 7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.229 5.967 7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.559 6.363 7.979 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.137 4.564 6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.726 6.269 6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.057 5.712 4.646 1.00 0.00 H new ATOM 108 N SER A 15 8.432 7.636 4.860 1.00 0.00 N ATOM 109 CA SER A 15 9.796 8.117 5.105 1.00 0.00 C ATOM 110 C SER A 15 10.604 8.257 3.812 1.00 0.00 C ATOM 111 O SER A 15 10.075 8.217 2.707 1.00 0.00 O ATOM 112 CB SER A 15 10.513 7.169 6.084 1.00 0.00 C ATOM 113 OG SER A 15 11.798 7.666 6.447 1.00 0.00 O ATOM 0 H SER A 15 8.312 7.116 3.991 1.00 0.00 H new ATOM 0 HA SER A 15 9.722 9.112 5.544 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.905 7.042 6.980 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.618 6.185 5.628 1.00 0.00 H new ATOM 0 HG SER A 15 11.991 7.425 7.377 1.00 0.00 H new ATOM 114 N LYS A 16 11.897 8.521 3.986 1.00 0.00 N ATOM 115 CA LYS A 16 12.972 8.697 3.088 1.00 0.00 C ATOM 116 C LYS A 16 13.904 7.483 3.134 1.00 0.00 C ATOM 117 O LYS A 16 14.373 6.976 2.115 1.00 0.00 O ATOM 118 CB LYS A 16 13.694 9.914 3.691 1.00 0.00 C ATOM 119 CG LYS A 16 14.621 10.414 2.636 1.00 0.00 C ATOM 120 CD LYS A 16 15.463 11.608 3.098 1.00 0.00 C ATOM 121 CE LYS A 16 16.192 12.243 1.911 1.00 0.00 C ATOM 122 NZ LYS A 16 17.065 11.276 1.221 1.00 0.00 N ATOM 0 H LYS A 16 12.241 8.629 4.940 1.00 0.00 H new ATOM 0 HA LYS A 16 12.662 8.821 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.981 10.686 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.243 9.635 4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.284 9.605 2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.043 10.702 1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.822 12.348 3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.187 11.282 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.461 12.640 1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.788 13.086 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.677 11.780 0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.654 10.780 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.481 10.586 0.708 1.00 0.00 H new ATOM 123 N ASP A 17 14.180 7.095 4.382 1.00 0.00 N ATOM 124 CA ASP A 17 15.089 6.079 4.902 1.00 0.00 C ATOM 125 C ASP A 17 15.151 6.346 6.411 1.00 0.00 C ATOM 126 O ASP A 17 15.070 5.468 7.262 1.00 0.00 O ATOM 127 CB ASP A 17 16.513 6.268 4.329 1.00 0.00 C ATOM 128 CG ASP A 17 17.318 4.973 4.316 1.00 0.00 C ATOM 129 OD1 ASP A 17 17.091 4.142 5.221 1.00 0.00 O ATOM 130 OD2 ASP A 17 18.175 4.852 3.414 1.00 0.00 O ATOM 0 H ASP A 17 13.701 7.554 5.156 1.00 0.00 H new ATOM 0 HA ASP A 17 14.748 5.077 4.643 1.00 0.00 H new ATOM 0 HB2 ASP A 17 16.443 6.658 3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 17 17.043 7.014 4.921 1.00 0.00 H new ATOM 131 N TRP A 18 15.285 7.648 6.675 1.00 0.00 N ATOM 132 CA TRP A 18 15.412 8.350 7.930 1.00 0.00 C ATOM 133 C TRP A 18 14.279 8.167 8.945 1.00 0.00 C ATOM 134 O TRP A 18 13.243 7.556 8.695 1.00 0.00 O ATOM 135 CB TRP A 18 15.419 9.833 7.537 1.00 0.00 C ATOM 136 CG TRP A 18 16.724 10.502 7.336 1.00 0.00 C ATOM 137 CD1 TRP A 18 17.521 10.461 6.249 1.00 0.00 C ATOM 138 CD2 TRP A 18 17.320 11.446 8.252 1.00 0.00 C ATOM 139 NE1 TRP A 18 18.537 11.391 6.410 1.00 0.00 N ATOM 140 CE2 TRP A 18 18.465 12.019 7.643 1.00 0.00 C ATOM 141 CE3 TRP A 18 16.960 11.893 9.533 1.00 0.00 C ATOM 142 CZ2 TRP A 18 19.222 13.011 8.289 1.00 0.00 C ATOM 143 CZ3 TRP A 18 17.688 12.896 10.184 1.00 0.00 C ATOM 144 CH2 TRP A 18 18.827 13.452 9.568 1.00 0.00 C ATOM 0 H TRP A 18 15.309 8.312 5.901 1.00 0.00 H new ATOM 0 HA TRP A 18 16.299 7.961 8.429 1.00 0.00 H new ATOM 0 HB2 TRP A 18 14.848 9.934 6.614 1.00 0.00 H new ATOM 0 HB3 TRP A 18 14.879 10.383 8.308 1.00 0.00 H new ATOM 0 HD1 TRP A 18 17.390 9.812 5.396 1.00 0.00 H new ATOM 0 HE1 TRP A 18 19.250 11.588 5.707 1.00 0.00 H new ATOM 0 HE3 TRP A 18 16.105 11.455 10.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 20.095 13.430 7.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 17.377 13.244 11.158 1.00 0.00 H new ATOM 0 HH2 TRP A 18 19.397 14.216 10.076 1.00 0.00 H new ATOM 145 N ALA A 19 14.513 8.829 10.083 1.00 0.00 N ATOM 146 CA ALA A 19 13.636 9.016 11.226 1.00 0.00 C ATOM 147 C ALA A 19 13.502 10.535 11.429 1.00 0.00 C ATOM 148 O ALA A 19 13.486 11.021 12.557 1.00 0.00 O ATOM 149 CB ALA A 19 14.269 8.350 12.451 1.00 0.00 C ATOM 0 H ALA A 19 15.411 9.289 10.233 1.00 0.00 H new ATOM 0 HA ALA A 19 12.654 8.568 11.073 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.618 8.485 13.315 1.00 0.00 H new ATOM 0 HB2 ALA A 19 14.401 7.285 12.259 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.239 8.805 12.652 1.00 0.00 H new ATOM 150 N GLY A 20 13.447 11.286 10.321 1.00 0.00 N ATOM 151 CA GLY A 20 13.388 12.745 10.299 1.00 0.00 C ATOM 152 C GLY A 20 14.048 13.315 9.036 1.00 0.00 C ATOM 153 O GLY A 20 14.843 14.246 9.125 1.00 0.00 O ATOM 0 H GLY A 20 13.442 10.876 9.387 1.00 0.00 H new ATOM 0 HA2 GLY A 20 12.348 13.069 10.345 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.886 13.144 11.183 1.00 0.00 H new ATOM 154 N GLY A 21 13.734 12.753 7.863 1.00 0.00 N ATOM 155 CA GLY A 21 14.248 13.163 6.562 1.00 0.00 C ATOM 156 C GLY A 21 13.050 13.412 5.647 1.00 0.00 C ATOM 157 O GLY A 21 12.000 12.806 5.859 1.00 0.00 O ATOM 0 H GLY A 21 13.087 11.967 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.851 14.066 6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.894 12.390 6.145 1.00 0.00 H new ATOM 158 N GLN A 22 13.183 14.287 4.643 1.00 0.00 N ATOM 159 CA GLN A 22 12.099 14.567 3.701 1.00 0.00 C ATOM 160 C GLN A 22 11.792 13.270 2.948 1.00 0.00 C ATOM 161 O GLN A 22 12.690 12.758 2.285 1.00 0.00 O ATOM 162 CB GLN A 22 12.506 15.680 2.729 1.00 0.00 C ATOM 163 CG GLN A 22 12.357 17.044 3.410 1.00 0.00 C ATOM 164 CD GLN A 22 12.749 18.201 2.494 1.00 0.00 C ATOM 165 OE1 GLN A 22 13.233 18.002 1.386 1.00 0.00 O ATOM 166 NE2 GLN A 22 12.547 19.433 2.950 1.00 0.00 N ATOM 0 H GLN A 22 14.037 14.815 4.464 1.00 0.00 H new ATOM 0 HA GLN A 22 11.212 14.911 4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.537 15.535 2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.884 15.640 1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.324 17.174 3.733 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.977 17.069 4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.143 19.574 3.876 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.796 20.237 2.374 1.00 0.00 H new ATOM 167 N PRO A 23 10.569 12.724 3.033 1.00 0.00 N ATOM 168 CA PRO A 23 10.261 11.443 2.435 1.00 0.00 C ATOM 169 C PRO A 23 10.570 11.260 0.960 1.00 0.00 C ATOM 170 O PRO A 23 10.525 12.196 0.166 1.00 0.00 O ATOM 171 CB PRO A 23 8.770 11.218 2.616 1.00 0.00 C ATOM 172 CG PRO A 23 8.411 12.075 3.829 1.00 0.00 C ATOM 173 CD PRO A 23 9.433 13.219 3.798 1.00 0.00 C ATOM 0 HA PRO A 23 10.913 10.732 2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.210 11.523 1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.543 10.166 2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.390 12.451 3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.481 11.504 4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.008 14.109 3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.735 13.499 4.807 1.00 0.00 H new ATOM 174 N THR A 24 10.772 9.988 0.615 1.00 0.00 N ATOM 175 CA THR A 24 11.005 9.513 -0.734 1.00 0.00 C ATOM 176 C THR A 24 10.496 8.072 -0.888 1.00 0.00 C ATOM 177 O THR A 24 10.688 7.526 -1.967 1.00 0.00 O ATOM 178 CB THR A 24 12.500 9.609 -1.119 1.00 0.00 C ATOM 179 OG1 THR A 24 13.338 8.983 -0.169 1.00 0.00 O ATOM 180 CG2 THR A 24 12.975 11.060 -1.249 1.00 0.00 C ATOM 0 H THR A 24 10.776 9.235 1.303 1.00 0.00 H new ATOM 0 HA THR A 24 10.449 10.156 -1.416 1.00 0.00 H new ATOM 0 HB THR A 24 12.573 9.101 -2.081 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.273 9.066 -0.452 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.031 11.074 -1.521 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.395 11.565 -2.021 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.838 11.574 -0.298 1.00 0.00 H new ATOM 181 N HIS A 25 9.844 7.447 0.114 1.00 0.00 N ATOM 182 CA HIS A 25 9.418 6.047 -0.033 1.00 0.00 C ATOM 183 C HIS A 25 8.595 5.464 1.130 1.00 0.00 C ATOM 184 O HIS A 25 8.526 5.990 2.241 1.00 0.00 O ATOM 185 CB HIS A 25 10.665 5.132 -0.154 1.00 0.00 C ATOM 186 CG HIS A 25 11.205 4.694 1.187 1.00 0.00 C ATOM 187 ND1 HIS A 25 11.671 5.620 2.115 1.00 0.00 N ATOM 188 CD2 HIS A 25 11.192 3.454 1.771 1.00 0.00 C ATOM 189 CE1 HIS A 25 11.919 4.908 3.215 1.00 0.00 C ATOM 190 NE2 HIS A 25 11.669 3.605 3.055 1.00 0.00 N ATOM 0 H HIS A 25 9.608 7.878 1.008 1.00 0.00 H new ATOM 0 HA HIS A 25 8.782 6.066 -0.918 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.407 4.251 -0.742 1.00 0.00 H new ATOM 0 HB3 HIS A 25 11.446 5.661 -0.699 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.869 2.532 1.311 1.00 0.00 H new ATOM 0 HE1 HIS A 25 12.283 5.338 4.136 1.00 0.00 H new ATOM 0 HE2 HIS A 25 11.805 2.868 3.747 1.00 0.00 H new ATOM 191 N ASN A 26 8.032 4.285 0.857 1.00 0.00 N ATOM 192 CA ASN A 26 7.314 3.450 1.807 1.00 0.00 C ATOM 193 C ASN A 26 8.093 2.137 1.909 1.00 0.00 C ATOM 194 O ASN A 26 8.402 1.518 0.887 1.00 0.00 O ATOM 195 CB ASN A 26 5.872 3.210 1.346 1.00 0.00 C ATOM 196 CG ASN A 26 4.883 3.961 2.230 1.00 0.00 C ATOM 197 OD1 ASN A 26 4.992 5.174 2.392 1.00 0.00 O ATOM 198 ND2 ASN A 26 3.931 3.248 2.830 1.00 0.00 N ATOM 0 H ASN A 26 8.069 3.873 -0.075 1.00 0.00 H new ATOM 0 HA ASN A 26 7.246 3.934 2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.759 3.534 0.311 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.651 2.143 1.372 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.262 3.708 3.448 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.871 2.242 2.672 1.00 0.00 H new ATOM 199 N GLU A 27 8.464 1.754 3.135 1.00 0.00 N ATOM 200 CA GLU A 27 9.207 0.540 3.436 1.00 0.00 C ATOM 201 C GLU A 27 8.269 -0.646 3.632 1.00 0.00 C ATOM 202 O GLU A 27 7.064 -0.474 3.777 1.00 0.00 O ATOM 203 CB GLU A 27 10.043 0.765 4.708 1.00 0.00 C ATOM 204 CG GLU A 27 11.504 0.482 4.479 1.00 0.00 C ATOM 205 CD GLU A 27 12.402 1.134 5.522 1.00 0.00 C ATOM 206 OE1 GLU A 27 12.644 2.349 5.355 1.00 0.00 O ATOM 207 OE2 GLU A 27 12.806 0.419 6.463 1.00 0.00 O ATOM 0 H GLU A 27 8.245 2.302 3.967 1.00 0.00 H new ATOM 0 HA GLU A 27 9.862 0.312 2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.921 1.795 5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.670 0.123 5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.667 -0.596 4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.787 0.838 3.489 1.00 0.00 H new ATOM 208 N ALA A 28 8.843 -1.848 3.665 1.00 0.00 N ATOM 209 CA ALA A 28 8.138 -3.102 3.860 1.00 0.00 C ATOM 210 C ALA A 28 7.145 -2.981 5.015 1.00 0.00 C ATOM 211 O ALA A 28 7.513 -2.538 6.102 1.00 0.00 O ATOM 212 CB ALA A 28 9.150 -4.207 4.164 1.00 0.00 C ATOM 0 H ALA A 28 9.849 -1.973 3.552 1.00 0.00 H new ATOM 0 HA ALA A 28 7.587 -3.346 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.625 -5.151 4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.844 -4.304 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.703 -3.955 5.069 1.00 0.00 H new ATOM 213 N GLY A 29 5.882 -3.330 4.776 1.00 0.00 N ATOM 214 CA GLY A 29 4.848 -3.277 5.786 1.00 0.00 C ATOM 215 C GLY A 29 4.268 -1.875 5.990 1.00 0.00 C ATOM 216 O GLY A 29 3.198 -1.761 6.583 1.00 0.00 O ATOM 0 H GLY A 29 5.554 -3.658 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.044 -3.958 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.256 -3.635 6.732 1.00 0.00 H new ATOM 217 N GLN A 30 4.917 -0.809 5.505 1.00 0.00 N ATOM 218 CA GLN A 30 4.374 0.532 5.648 1.00 0.00 C ATOM 219 C GLN A 30 3.265 0.726 4.628 1.00 0.00 C ATOM 220 O GLN A 30 3.442 0.476 3.430 1.00 0.00 O ATOM 221 CB GLN A 30 5.427 1.615 5.447 1.00 0.00 C ATOM 222 CG GLN A 30 6.588 1.520 6.417 1.00 0.00 C ATOM 223 CD GLN A 30 6.221 1.890 7.844 1.00 0.00 C ATOM 224 OE1 GLN A 30 5.067 2.130 8.182 1.00 0.00 O ATOM 225 NE2 GLN A 30 7.226 1.998 8.697 1.00 0.00 N ATOM 0 H GLN A 30 5.811 -0.856 5.015 1.00 0.00 H new ATOM 0 HA GLN A 30 3.996 0.627 6.666 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.810 1.553 4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.956 2.592 5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.979 0.503 6.404 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.390 2.175 6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.178 1.793 8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.049 2.286 9.659 1.00 0.00 H new ATOM 226 N SER A 31 2.149 1.244 5.123 1.00 0.00 N ATOM 227 CA SER A 31 0.934 1.445 4.349 1.00 0.00 C ATOM 228 C SER A 31 0.830 2.853 3.774 1.00 0.00 C ATOM 229 O SER A 31 1.536 3.764 4.209 1.00 0.00 O ATOM 230 CB SER A 31 -0.286 1.115 5.218 1.00 0.00 C ATOM 231 OG SER A 31 -0.103 -0.133 5.856 1.00 0.00 O ATOM 0 H SER A 31 2.063 1.542 6.095 1.00 0.00 H new ATOM 0 HA SER A 31 0.968 0.769 3.494 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.433 1.896 5.964 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.185 1.089 4.602 1.00 0.00 H new ATOM 0 HG SER A 31 -0.017 -0.837 5.179 1.00 0.00 H new ATOM 232 N ILE A 32 -0.040 3.013 2.774 1.00 0.00 N ATOM 233 CA ILE A 32 -0.309 4.286 2.118 1.00 0.00 C ATOM 234 C ILE A 32 -1.643 4.172 1.375 1.00 0.00 C ATOM 235 O ILE A 32 -2.059 3.069 1.022 1.00 0.00 O ATOM 236 CB ILE A 32 0.850 4.646 1.160 1.00 0.00 C ATOM 237 CG1 ILE A 32 0.900 6.154 0.868 1.00 0.00 C ATOM 238 CG2 ILE A 32 0.765 3.851 -0.148 1.00 0.00 C ATOM 239 CD1 ILE A 32 2.161 6.578 0.119 1.00 0.00 C ATOM 0 H ILE A 32 -0.587 2.241 2.392 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.380 5.088 2.852 1.00 0.00 H new ATOM 0 HB ILE A 32 1.775 4.371 1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.025 6.434 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.842 6.702 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.595 4.129 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.817 2.784 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.178 4.073 -0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.136 7.653 -0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.039 6.328 0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.210 6.055 -0.836 1.00 0.00 H new ATOM 240 N VAL A 33 -2.323 5.295 1.156 1.00 0.00 N ATOM 241 CA VAL A 33 -3.562 5.380 0.402 1.00 0.00 C ATOM 242 C VAL A 33 -3.209 5.760 -1.035 1.00 0.00 C ATOM 243 O VAL A 33 -2.190 6.401 -1.306 1.00 0.00 O ATOM 244 CB VAL A 33 -4.484 6.470 0.987 1.00 0.00 C ATOM 245 CG1 VAL A 33 -5.419 7.131 -0.030 1.00 0.00 C ATOM 246 CG2 VAL A 33 -5.362 6.027 2.163 1.00 0.00 C ATOM 0 H VAL A 33 -2.012 6.199 1.512 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.081 4.423 0.447 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.740 7.186 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.028 7.883 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.828 7.606 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.067 6.375 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.971 6.866 2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.012 5.212 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.728 5.687 2.982 1.00 0.00 H new ATOM 247 N TYR A 34 -4.120 5.406 -1.932 1.00 0.00 N ATOM 248 CA TYR A 34 -4.111 5.728 -3.349 1.00 0.00 C ATOM 249 C TYR A 34 -5.456 5.276 -3.917 1.00 0.00 C ATOM 250 O TYR A 34 -5.972 4.253 -3.477 1.00 0.00 O ATOM 251 CB TYR A 34 -2.923 5.075 -4.055 1.00 0.00 C ATOM 252 CG TYR A 34 -2.957 5.204 -5.561 1.00 0.00 C ATOM 253 CD1 TYR A 34 -2.741 6.455 -6.165 1.00 0.00 C ATOM 254 CD2 TYR A 34 -3.233 4.078 -6.357 1.00 0.00 C ATOM 255 CE1 TYR A 34 -2.674 6.551 -7.566 1.00 0.00 C ATOM 256 CE2 TYR A 34 -3.151 4.171 -7.756 1.00 0.00 C ATOM 257 CZ TYR A 34 -2.841 5.401 -8.357 1.00 0.00 C ATOM 258 OH TYR A 34 -2.754 5.499 -9.714 1.00 0.00 O ATOM 0 H TYR A 34 -4.935 4.852 -1.671 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.987 6.799 -3.510 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.001 5.522 -3.683 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.893 4.018 -3.792 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.627 7.339 -5.555 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.508 3.142 -5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.494 7.508 -8.034 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.326 3.298 -8.368 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.892 4.616 -10.115 1.00 0.00 H new ATOM 259 N LYS A 35 -6.025 6.056 -4.847 1.00 0.00 N ATOM 260 CA LYS A 35 -7.319 5.846 -5.495 1.00 0.00 C ATOM 261 C LYS A 35 -8.282 5.003 -4.652 1.00 0.00 C ATOM 262 O LYS A 35 -8.571 3.841 -4.928 1.00 0.00 O ATOM 263 CB LYS A 35 -7.158 5.289 -6.885 1.00 0.00 C ATOM 264 CG LYS A 35 -6.522 6.297 -7.851 1.00 0.00 C ATOM 265 CD LYS A 35 -6.459 5.711 -9.267 1.00 0.00 C ATOM 266 CE LYS A 35 -6.154 6.790 -10.314 1.00 0.00 C ATOM 267 NZ LYS A 35 -4.888 7.493 -10.042 1.00 0.00 N ATOM 0 H LYS A 35 -5.563 6.900 -5.184 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.780 6.830 -5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.542 4.391 -6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.133 4.989 -7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.102 7.220 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.519 6.553 -7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.692 4.938 -9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.408 5.231 -9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.107 6.331 -11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.970 7.512 -10.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.631 8.076 -10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.002 8.103 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.136 6.797 -9.862 1.00 0.00 H new ATOM 268 N GLY A 36 -8.762 5.674 -3.613 1.00 0.00 N ATOM 269 CA GLY A 36 -9.685 5.227 -2.585 1.00 0.00 C ATOM 270 C GLY A 36 -9.458 3.793 -2.111 1.00 0.00 C ATOM 271 O GLY A 36 -10.416 3.078 -1.837 1.00 0.00 O ATOM 0 H GLY A 36 -8.484 6.643 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.607 5.896 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.703 5.314 -2.965 1.00 0.00 H new ATOM 272 N ASN A 37 -8.198 3.369 -1.996 1.00 0.00 N ATOM 273 CA ASN A 37 -7.834 2.058 -1.491 1.00 0.00 C ATOM 274 C ASN A 37 -6.549 2.212 -0.695 1.00 0.00 C ATOM 275 O ASN A 37 -5.800 3.179 -0.844 1.00 0.00 O ATOM 276 CB ASN A 37 -7.648 1.028 -2.616 1.00 0.00 C ATOM 277 CG ASN A 37 -8.923 0.293 -3.028 1.00 0.00 C ATOM 278 OD1 ASN A 37 -9.866 0.131 -2.259 1.00 0.00 O ATOM 279 ND2 ASN A 37 -8.940 -0.222 -4.251 1.00 0.00 N ATOM 0 H ASN A 37 -7.395 3.941 -2.257 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.642 1.681 -0.864 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.239 1.535 -3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.908 0.293 -2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.746 -0.763 -4.566 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.147 -0.077 -4.876 1.00 0.00 H new ATOM 280 N LEU A 38 -6.340 1.240 0.183 1.00 0.00 N ATOM 281 CA LEU A 38 -5.235 1.095 1.086 1.00 0.00 C ATOM 282 C LEU A 38 -4.247 0.113 0.463 1.00 0.00 C ATOM 283 O LEU A 38 -4.637 -0.994 0.083 1.00 0.00 O ATOM 284 CB LEU A 38 -5.840 0.525 2.368 1.00 0.00 C ATOM 285 CG LEU A 38 -4.837 0.338 3.503 1.00 0.00 C ATOM 286 CD1 LEU A 38 -4.822 1.603 4.357 1.00 0.00 C ATOM 287 CD2 LEU A 38 -5.264 -0.901 4.295 1.00 0.00 C ATOM 0 H LEU A 38 -7.005 0.472 0.280 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.707 2.027 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.636 1.188 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.301 -0.437 2.143 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.822 0.182 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.109 1.483 5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.530 2.454 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.817 1.777 4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.567 -1.065 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.267 -0.750 4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.262 -1.771 3.638 1.00 0.00 H new ATOM 288 N TYR A 39 -2.978 0.506 0.368 1.00 0.00 N ATOM 289 CA TYR A 39 -1.895 -0.309 -0.152 1.00 0.00 C ATOM 290 C TYR A 39 -0.777 -0.354 0.876 1.00 0.00 C ATOM 291 O TYR A 39 -0.786 0.396 1.854 1.00 0.00 O ATOM 292 CB TYR A 39 -1.364 0.271 -1.464 1.00 0.00 C ATOM 293 CG TYR A 39 -2.344 0.190 -2.611 1.00 0.00 C ATOM 294 CD1 TYR A 39 -3.270 1.228 -2.806 1.00 0.00 C ATOM 295 CD2 TYR A 39 -2.313 -0.904 -3.497 1.00 0.00 C ATOM 296 CE1 TYR A 39 -4.220 1.137 -3.835 1.00 0.00 C ATOM 297 CE2 TYR A 39 -3.279 -1.004 -4.512 1.00 0.00 C ATOM 298 CZ TYR A 39 -4.241 0.007 -4.667 1.00 0.00 C ATOM 299 OH TYR A 39 -5.261 -0.170 -5.553 1.00 0.00 O ATOM 0 H TYR A 39 -2.671 1.433 0.662 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.267 -1.315 -0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.092 1.314 -1.305 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.452 -0.258 -1.741 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.251 2.096 -2.164 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.551 -1.662 -3.397 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.933 1.934 -3.986 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.282 -1.858 -5.173 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.797 -0.945 -5.284 1.00 0.00 H new ATOM 300 N THR A 40 0.169 -1.269 0.683 1.00 0.00 N ATOM 301 CA THR A 40 1.330 -1.435 1.535 1.00 0.00 C ATOM 302 C THR A 40 2.473 -1.974 0.688 1.00 0.00 C ATOM 303 O THR A 40 2.252 -2.678 -0.299 1.00 0.00 O ATOM 304 CB THR A 40 0.978 -2.346 2.715 1.00 0.00 C ATOM 305 OG1 THR A 40 0.075 -1.673 3.570 1.00 0.00 O ATOM 306 CG2 THR A 40 2.177 -2.752 3.564 1.00 0.00 C ATOM 0 H THR A 40 0.143 -1.931 -0.093 1.00 0.00 H new ATOM 0 HA THR A 40 1.648 -0.484 1.961 1.00 0.00 H new ATOM 0 HB THR A 40 0.554 -3.249 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.301 -0.898 3.103 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.845 -3.396 4.378 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.895 -3.290 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.650 -1.860 3.976 1.00 0.00 H new ATOM 307 N ALA A 41 3.686 -1.583 1.069 1.00 0.00 N ATOM 308 CA ALA A 41 4.923 -1.942 0.391 1.00 0.00 C ATOM 309 C ALA A 41 5.453 -3.281 0.871 1.00 0.00 C ATOM 310 O ALA A 41 5.290 -3.675 2.026 1.00 0.00 O ATOM 311 CB ALA A 41 5.950 -0.839 0.576 1.00 0.00 C ATOM 0 H ALA A 41 3.837 -0.989 1.884 1.00 0.00 H new ATOM 0 HA ALA A 41 4.716 -2.049 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.874 -1.113 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.566 0.090 0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.149 -0.702 1.639 1.00 0.00 H new ATOM 312 N ASN A 42 6.107 -3.960 -0.068 1.00 0.00 N ATOM 313 CA ASN A 42 6.683 -5.283 0.101 1.00 0.00 C ATOM 314 C ASN A 42 8.128 -5.208 0.581 1.00 0.00 C ATOM 315 O ASN A 42 8.571 -6.096 1.303 1.00 0.00 O ATOM 316 CB ASN A 42 6.649 -6.003 -1.248 1.00 0.00 C ATOM 317 CG ASN A 42 5.276 -6.432 -1.691 1.00 0.00 C ATOM 318 OD1 ASN A 42 4.432 -5.473 -1.997 1.00 0.00 O flip ATOM 319 ND2 ASN A 42 4.990 -7.615 -1.838 1.00 0.00 N flip ATOM 0 H ASN A 42 6.254 -3.584 -1.005 1.00 0.00 H new ATOM 0 HA ASN A 42 6.102 -5.820 0.851 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.073 -5.346 -2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.291 -6.882 -1.193 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.666 -8.338 -1.591 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.076 -7.877 -2.207 1.00 0.00 H new ATOM 320 N TRP A 43 8.870 -4.172 0.169 1.00 0.00 N ATOM 321 CA TRP A 43 10.275 -4.037 0.536 1.00 0.00 C ATOM 322 C TRP A 43 10.667 -2.580 0.802 1.00 0.00 C ATOM 323 O TRP A 43 10.876 -2.178 1.944 1.00 0.00 O ATOM 324 CB TRP A 43 11.153 -4.717 -0.527 1.00 0.00 C ATOM 325 CG TRP A 43 10.943 -4.485 -1.995 1.00 0.00 C ATOM 326 CD1 TRP A 43 11.561 -3.583 -2.793 1.00 0.00 C ATOM 327 CD2 TRP A 43 10.189 -5.334 -2.893 1.00 0.00 C ATOM 328 NE1 TRP A 43 11.152 -3.754 -4.102 1.00 0.00 N ATOM 329 CE2 TRP A 43 10.318 -4.849 -4.223 1.00 0.00 C ATOM 330 CE3 TRP A 43 9.452 -6.508 -2.697 1.00 0.00 C ATOM 331 CZ2 TRP A 43 9.691 -5.483 -5.308 1.00 0.00 C ATOM 332 CZ3 TRP A 43 8.753 -7.113 -3.759 1.00 0.00 C ATOM 333 CH2 TRP A 43 8.884 -6.609 -5.067 1.00 0.00 C ATOM 0 H TRP A 43 8.515 -3.418 -0.419 1.00 0.00 H new ATOM 0 HA TRP A 43 10.443 -4.549 1.483 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.184 -4.439 -0.309 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.071 -5.791 -0.363 1.00 0.00 H new ATOM 0 HD1 TRP A 43 12.269 -2.840 -2.457 1.00 0.00 H new ATOM 0 HE1 TRP A 43 11.429 -3.151 -4.877 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.419 -6.957 -1.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.827 -5.111 -6.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 8.116 -7.964 -3.570 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.365 -7.087 -5.885 1.00 0.00 H new ATOM 334 N TYR A 44 10.793 -1.790 -0.257 1.00 0.00 N ATOM 335 CA TYR A 44 11.175 -0.405 -0.277 1.00 0.00 C ATOM 336 C TYR A 44 10.685 0.119 -1.617 1.00 0.00 C ATOM 337 O TYR A 44 11.083 -0.445 -2.636 1.00 0.00 O ATOM 338 CB TYR A 44 12.701 -0.354 -0.190 1.00 0.00 C ATOM 339 CG TYR A 44 13.296 0.912 0.401 1.00 0.00 C ATOM 340 CD1 TYR A 44 13.368 2.099 -0.354 1.00 0.00 C ATOM 341 CD2 TYR A 44 13.843 0.879 1.697 1.00 0.00 C ATOM 342 CE1 TYR A 44 13.955 3.255 0.200 1.00 0.00 C ATOM 343 CE2 TYR A 44 14.429 2.031 2.247 1.00 0.00 C ATOM 344 CZ TYR A 44 14.473 3.223 1.508 1.00 0.00 C ATOM 345 OH TYR A 44 14.969 4.344 2.103 1.00 0.00 O ATOM 0 H TYR A 44 10.613 -2.143 -1.197 1.00 0.00 H new ATOM 0 HA TYR A 44 10.762 0.186 0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.039 -1.202 0.406 1.00 0.00 H new ATOM 0 HB3 TYR A 44 13.106 -0.487 -1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.973 2.124 -1.359 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.812 -0.035 2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 44 14.007 4.165 -0.379 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.847 1.999 3.242 1.00 0.00 H new ATOM 0 HH TYR A 44 14.440 5.122 1.828 1.00 0.00 H new ATOM 346 N THR A 45 9.798 1.113 -1.661 1.00 0.00 N ATOM 347 CA THR A 45 9.335 1.584 -2.959 1.00 0.00 C ATOM 348 C THR A 45 8.772 2.993 -2.888 1.00 0.00 C ATOM 349 O THR A 45 8.290 3.443 -1.848 1.00 0.00 O ATOM 350 CB THR A 45 8.303 0.601 -3.539 1.00 0.00 C ATOM 351 OG1 THR A 45 7.793 1.077 -4.771 1.00 0.00 O ATOM 352 CG2 THR A 45 7.136 0.361 -2.578 1.00 0.00 C ATOM 0 H THR A 45 9.402 1.588 -0.850 1.00 0.00 H new ATOM 0 HA THR A 45 10.196 1.625 -3.627 1.00 0.00 H new ATOM 0 HB THR A 45 8.825 -0.343 -3.694 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.437 0.326 -5.290 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.432 -0.339 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.514 -0.055 -1.644 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.630 1.305 -2.377 1.00 0.00 H new ATOM 353 N ALA A 46 8.881 3.669 -4.032 1.00 0.00 N ATOM 354 CA ALA A 46 8.396 5.010 -4.286 1.00 0.00 C ATOM 355 C ALA A 46 7.575 5.023 -5.583 1.00 0.00 C ATOM 356 O ALA A 46 7.240 6.090 -6.092 1.00 0.00 O ATOM 357 CB ALA A 46 9.588 5.964 -4.371 1.00 0.00 C ATOM 0 H ALA A 46 9.338 3.264 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 46 7.747 5.339 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.231 6.976 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.137 5.945 -3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.246 5.652 -5.182 1.00 0.00 H new ATOM 358 N SER A 47 7.277 3.851 -6.159 1.00 0.00 N ATOM 359 CA SER A 47 6.458 3.775 -7.361 1.00 0.00 C ATOM 360 C SER A 47 5.004 3.967 -6.929 1.00 0.00 C ATOM 361 O SER A 47 4.685 3.678 -5.778 1.00 0.00 O ATOM 362 CB SER A 47 6.671 2.415 -8.036 1.00 0.00 C ATOM 363 OG SER A 47 8.051 2.102 -8.055 1.00 0.00 O ATOM 0 H SER A 47 7.594 2.947 -5.807 1.00 0.00 H new ATOM 0 HA SER A 47 6.729 4.544 -8.085 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.120 1.642 -7.500 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.280 2.438 -9.053 1.00 0.00 H new ATOM 0 HG SER A 47 8.183 1.232 -8.485 1.00 0.00 H new ATOM 364 N VAL A 48 4.110 4.436 -7.805 1.00 0.00 N ATOM 365 CA VAL A 48 2.720 4.632 -7.400 1.00 0.00 C ATOM 366 C VAL A 48 2.137 3.301 -6.880 1.00 0.00 C ATOM 367 O VAL A 48 2.463 2.251 -7.431 1.00 0.00 O ATOM 368 CB VAL A 48 1.911 5.264 -8.555 1.00 0.00 C ATOM 369 CG1 VAL A 48 1.735 4.466 -9.848 1.00 0.00 C ATOM 370 CG2 VAL A 48 0.515 5.666 -8.082 1.00 0.00 C ATOM 0 H VAL A 48 4.318 4.681 -8.773 1.00 0.00 H new ATOM 0 HA VAL A 48 2.660 5.339 -6.573 1.00 0.00 H new ATOM 0 HB VAL A 48 2.549 6.107 -8.822 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.145 5.047 -10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.713 4.252 -10.279 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.222 3.529 -9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.037 6.109 -8.911 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.015 4.784 -7.723 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.600 6.392 -7.274 1.00 0.00 H new ATOM 371 N PRO A 49 1.344 3.288 -5.795 1.00 0.00 N ATOM 372 CA PRO A 49 0.760 2.063 -5.278 1.00 0.00 C ATOM 373 C PRO A 49 0.098 1.219 -6.367 1.00 0.00 C ATOM 374 O PRO A 49 -0.856 1.653 -7.009 1.00 0.00 O ATOM 375 CB PRO A 49 -0.218 2.505 -4.200 1.00 0.00 C ATOM 376 CG PRO A 49 0.494 3.722 -3.620 1.00 0.00 C ATOM 377 CD PRO A 49 1.111 4.374 -4.855 1.00 0.00 C ATOM 0 HA PRO A 49 1.525 1.402 -4.870 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.194 2.759 -4.612 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.380 1.730 -3.451 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.200 4.393 -3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.253 3.437 -2.891 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.442 5.123 -5.279 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.042 4.883 -4.606 1.00 0.00 H new ATOM 378 N GLY A 50 0.633 0.015 -6.578 1.00 0.00 N ATOM 379 CA GLY A 50 0.151 -0.916 -7.583 1.00 0.00 C ATOM 380 C GLY A 50 0.544 -0.489 -8.999 1.00 0.00 C ATOM 381 O GLY A 50 -0.134 -0.867 -9.950 1.00 0.00 O ATOM 0 H GLY A 50 1.426 -0.340 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.553 -1.909 -7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.934 -0.992 -7.516 1.00 0.00 H new ATOM 382 N SER A 51 1.635 0.274 -9.157 1.00 0.00 N ATOM 383 CA SER A 51 2.093 0.724 -10.465 1.00 0.00 C ATOM 384 C SER A 51 2.409 -0.477 -11.355 1.00 0.00 C ATOM 385 O SER A 51 1.878 -0.618 -12.453 1.00 0.00 O ATOM 386 CB SER A 51 3.346 1.610 -10.313 1.00 0.00 C ATOM 387 OG SER A 51 4.469 0.891 -9.831 1.00 0.00 O ATOM 0 H SER A 51 2.217 0.591 -8.382 1.00 0.00 H new ATOM 0 HA SER A 51 1.300 1.309 -10.930 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.591 2.054 -11.278 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.125 2.431 -9.631 1.00 0.00 H new ATOM 0 HG SER A 51 5.053 0.656 -10.582 1.00 0.00 H new ATOM 388 N ASP A 52 3.309 -1.324 -10.849 1.00 0.00 N ATOM 389 CA ASP A 52 3.834 -2.495 -11.535 1.00 0.00 C ATOM 390 C ASP A 52 4.098 -3.638 -10.559 1.00 0.00 C ATOM 391 O ASP A 52 3.816 -4.795 -10.856 1.00 0.00 O ATOM 392 CB ASP A 52 5.176 -2.142 -12.208 1.00 0.00 C ATOM 393 CG ASP A 52 5.172 -0.818 -12.965 1.00 0.00 C ATOM 394 OD1 ASP A 52 5.387 0.213 -12.286 1.00 0.00 O ATOM 395 OD2 ASP A 52 4.972 -0.859 -14.197 1.00 0.00 O ATOM 0 H ASP A 52 3.703 -1.204 -9.916 1.00 0.00 H new ATOM 0 HA ASP A 52 3.091 -2.805 -12.270 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.953 -2.108 -11.445 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.443 -2.941 -12.899 1.00 0.00 H new ATOM 396 N SER A 53 4.689 -3.317 -9.404 1.00 0.00 N ATOM 397 CA SER A 53 5.111 -4.279 -8.401 1.00 0.00 C ATOM 398 C SER A 53 5.432 -3.544 -7.109 1.00 0.00 C ATOM 399 O SER A 53 5.261 -2.338 -7.056 1.00 0.00 O ATOM 400 CB SER A 53 6.429 -4.871 -8.883 1.00 0.00 C ATOM 401 OG SER A 53 6.845 -5.958 -8.072 1.00 0.00 O ATOM 0 H SER A 53 4.889 -2.352 -9.141 1.00 0.00 H new ATOM 0 HA SER A 53 4.334 -5.027 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.321 -5.207 -9.914 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.198 -4.099 -8.878 1.00 0.00 H new ATOM 0 HG SER A 53 7.693 -6.314 -8.411 1.00 0.00 H new ATOM 402 N SER A 54 5.999 -4.262 -6.138 1.00 0.00 N ATOM 403 CA SER A 54 6.489 -3.869 -4.827 1.00 0.00 C ATOM 404 C SER A 54 5.395 -3.393 -3.884 1.00 0.00 C ATOM 405 O SER A 54 5.680 -3.036 -2.738 1.00 0.00 O ATOM 406 CB SER A 54 7.610 -2.838 -4.997 1.00 0.00 C ATOM 407 OG SER A 54 7.144 -1.539 -5.317 1.00 0.00 O ATOM 0 H SER A 54 6.141 -5.262 -6.278 1.00 0.00 H new ATOM 0 HA SER A 54 6.892 -4.757 -4.340 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.190 -2.790 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.286 -3.176 -5.782 1.00 0.00 H new ATOM 0 HG SER A 54 6.357 -1.607 -5.897 1.00 0.00 H new ATOM 408 N TRP A 55 4.143 -3.508 -4.318 1.00 0.00 N ATOM 409 CA TRP A 55 2.973 -3.089 -3.588 1.00 0.00 C ATOM 410 C TRP A 55 1.973 -4.213 -3.473 1.00 0.00 C ATOM 411 O TRP A 55 2.028 -5.184 -4.225 1.00 0.00 O ATOM 412 CB TRP A 55 2.367 -1.920 -4.352 1.00 0.00 C ATOM 413 CG TRP A 55 3.175 -0.668 -4.315 1.00 0.00 C ATOM 414 CD1 TRP A 55 3.943 -0.159 -5.308 1.00 0.00 C ATOM 415 CD2 TRP A 55 3.272 0.266 -3.205 1.00 0.00 C ATOM 416 NE1 TRP A 55 4.390 1.092 -4.926 1.00 0.00 N ATOM 417 CE2 TRP A 55 4.013 1.397 -3.636 1.00 0.00 C ATOM 418 CE3 TRP A 55 2.758 0.293 -1.894 1.00 0.00 C ATOM 419 CZ2 TRP A 55 4.196 2.521 -2.821 1.00 0.00 C ATOM 420 CZ3 TRP A 55 3.014 1.373 -1.033 1.00 0.00 C ATOM 421 CH2 TRP A 55 3.712 2.498 -1.503 1.00 0.00 C ATOM 0 H TRP A 55 3.918 -3.914 -5.226 1.00 0.00 H new ATOM 0 HA TRP A 55 3.244 -2.798 -2.573 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.227 -2.216 -5.392 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.378 -1.711 -3.945 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.169 -0.649 -6.243 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.933 1.714 -5.526 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.156 -0.532 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.703 3.395 -3.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 2.674 1.338 -0.009 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.876 3.344 -0.852 1.00 0.00 H new ATOM 422 N THR A 56 1.088 -4.077 -2.491 1.00 0.00 N ATOM 423 CA THR A 56 0.044 -5.035 -2.221 1.00 0.00 C ATOM 424 C THR A 56 -1.139 -4.246 -1.669 1.00 0.00 C ATOM 425 O THR A 56 -0.942 -3.355 -0.840 1.00 0.00 O ATOM 426 CB THR A 56 0.616 -6.104 -1.274 1.00 0.00 C ATOM 427 OG1 THR A 56 -0.090 -7.317 -1.442 1.00 0.00 O ATOM 428 CG2 THR A 56 0.583 -5.735 0.212 1.00 0.00 C ATOM 0 H THR A 56 1.084 -3.280 -1.854 1.00 0.00 H new ATOM 0 HA THR A 56 -0.311 -5.575 -3.098 1.00 0.00 H new ATOM 0 HB THR A 56 1.666 -6.195 -1.551 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.278 -7.996 -0.839 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.007 -6.550 0.799 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.167 -4.829 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.448 -5.563 0.521 1.00 0.00 H new ATOM 429 N GLN A 57 -2.346 -4.503 -2.181 1.00 0.00 N ATOM 430 CA GLN A 57 -3.549 -3.834 -1.714 1.00 0.00 C ATOM 431 C GLN A 57 -3.951 -4.513 -0.404 1.00 0.00 C ATOM 432 O GLN A 57 -3.988 -5.741 -0.348 1.00 0.00 O ATOM 433 CB GLN A 57 -4.650 -3.923 -2.781 1.00 0.00 C ATOM 434 CG GLN A 57 -5.781 -2.923 -2.500 1.00 0.00 C ATOM 435 CD GLN A 57 -6.896 -3.042 -3.534 1.00 0.00 C ATOM 436 OE1 GLN A 57 -6.748 -2.417 -4.700 1.00 0.00 O flip ATOM 437 NE2 GLN A 57 -7.898 -3.704 -3.293 1.00 0.00 N flip ATOM 0 H GLN A 57 -2.509 -5.179 -2.927 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.381 -2.772 -1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.223 -3.726 -3.764 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.054 -4.935 -2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.186 -3.099 -1.504 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.382 -1.909 -2.507 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.993 -4.176 -2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.637 -3.784 -3.992 1.00 0.00 H new ATOM 438 N VAL A 58 -4.215 -3.732 0.645 1.00 0.00 N ATOM 439 CA VAL A 58 -4.593 -4.255 1.958 1.00 0.00 C ATOM 440 C VAL A 58 -6.081 -4.034 2.247 1.00 0.00 C ATOM 441 O VAL A 58 -6.604 -4.654 3.170 1.00 0.00 O ATOM 442 CB VAL A 58 -3.642 -3.744 3.063 1.00 0.00 C ATOM 443 CG1 VAL A 58 -2.626 -4.833 3.433 1.00 0.00 C ATOM 444 CG2 VAL A 58 -2.848 -2.497 2.672 1.00 0.00 C ATOM 0 H VAL A 58 -4.172 -2.714 0.607 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.466 -5.338 1.950 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.291 -3.486 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.961 -4.461 4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.154 -5.715 3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.040 -5.098 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.204 -2.201 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.236 -2.715 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.537 -1.685 2.440 1.00 0.00 H new ATOM 445 N GLY A 59 -6.789 -3.197 1.477 1.00 0.00 N ATOM 446 CA GLY A 59 -8.221 -3.019 1.684 1.00 0.00 C ATOM 447 C GLY A 59 -8.733 -1.712 1.094 1.00 0.00 C ATOM 448 O GLY A 59 -8.004 -1.006 0.399 1.00 0.00 O ATOM 0 H GLY A 59 -6.395 -2.642 0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.757 -3.853 1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.437 -3.042 2.752 1.00 0.00 H new ATOM 449 N SER A 60 -9.995 -1.396 1.392 1.00 0.00 N ATOM 450 CA SER A 60 -10.664 -0.177 0.972 1.00 0.00 C ATOM 451 C SER A 60 -10.814 0.710 2.203 1.00 0.00 C ATOM 452 O SER A 60 -11.802 0.618 2.925 1.00 0.00 O ATOM 453 CB SER A 60 -12.007 -0.504 0.318 1.00 0.00 C ATOM 454 OG SER A 60 -11.772 -1.332 -0.806 1.00 0.00 O ATOM 0 H SER A 60 -10.593 -2.005 1.950 1.00 0.00 H new ATOM 0 HA SER A 60 -10.082 0.354 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.661 -1.008 1.029 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.513 0.412 0.014 1.00 0.00 H new ATOM 0 HG SER A 60 -11.099 -0.916 -1.384 1.00 0.00 H new ATOM 455 N CYS A 61 -9.772 1.507 2.448 1.00 0.00 N ATOM 456 CA CYS A 61 -9.632 2.469 3.537 1.00 0.00 C ATOM 457 C CYS A 61 -10.937 3.120 3.964 1.00 0.00 C ATOM 458 O CYS A 61 -11.253 3.125 5.151 1.00 0.00 O ATOM 459 CB CYS A 61 -8.690 3.614 3.121 1.00 0.00 C ATOM 460 SG CYS A 61 -8.698 4.076 1.365 1.00 0.00 S ATOM 0 H CYS A 61 -8.948 1.494 1.847 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.242 1.886 4.372 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.947 4.497 3.707 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.673 3.335 3.395 1.00 0.00 H new ATOM 461 N ASN A 62 -11.635 3.743 3.021 1.00 0.00 N ATOM 462 CA ASN A 62 -12.841 4.514 3.225 1.00 0.00 C ATOM 463 C ASN A 62 -13.482 4.630 1.849 1.00 0.00 C ATOM 464 O ASN A 62 -14.654 5.055 1.789 1.00 0.00 O ATOM 465 CB ASN A 62 -12.456 5.903 3.772 1.00 0.00 C ATOM 466 CG ASN A 62 -12.966 6.152 5.186 1.00 0.00 C ATOM 467 OD1 ASN A 62 -13.759 7.057 5.426 1.00 0.00 O ATOM 468 ND2 ASN A 62 -12.480 5.383 6.154 1.00 0.00 N ATOM 469 OXT ASN A 62 -12.757 4.298 0.880 1.00 0.00 O ATOM 0 H ASN A 62 -11.353 3.718 2.041 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.526 4.055 3.938 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.371 6.003 3.761 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.854 6.671 3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.765 5.539 7.121 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -11.822 4.637 5.930 1.00 0.00 H new TER 470 ASN A 62