USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=13 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 33 GLN : amide:sc= 0.947 K(o=2.7,f=-4.6!) USER MOD Set 1.2: A 87 ASN : amide:sc= 1.79 K(o=2.7,f=-5.9) USER MOD Set 2.1: A 79 TYR OH : rot 180:sc= 0.666 USER MOD Set 2.2: A 83 GLN : amide:sc= -0.618 K(o=0.048,f=-3.9!) USER MOD Set 3.1: A 53 GLN : amide:sc= 1.27 K(o=2.5,f=-12!) USER MOD Set 3.2: A 58 LYS NZ :NH3+ -124:sc= 1.27 (180deg=-0.378) USER MOD Set 4.1: A 19 HIS : no HE2:sc= -1.57 K(o=-2.8,f=-5) USER MOD Set 4.2: A 24 ASN : amide:sc= -1.26 K(o=-2.8,f=-9.1) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= 0.904 (180deg=-0.702) USER MOD Single : A 14 ASN : amide:sc= 1.05 X(o=1.1,f=0.6) USER MOD Single : A 15 CYS SG : rot 180:sc= -1.43 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.07 K(o=1.1,f=-0.071) USER MOD Single : A 30 HIS : no HE2:sc= -0.21 K(o=-0.21,f=-2.2) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0393 USER MOD Single : A 34 LYS NZ :NH3+ -121:sc= 0.924 (180deg=-1.25!) USER MOD Single : A 39 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 46 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 52 TYR OH : rot -159:sc= 1.24 USER MOD Single : A 56 ASN : amide:sc= 1.45 K(o=1.4,f=-0.34) USER MOD Single : A 61 MET CE :methyl -171:sc= -0.337 (180deg=-0.34) USER MOD Single : A 81 TYR OH : rot -10:sc= 1.2 USER MOD Single : A 88 LYS NZ :NH3+ -141:sc= 0.316! (180deg=-3.69!) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 4 5.013 -11.972 2.075 1.00 0.00 N ATOM 24 CA LEU A 4 5.006 -10.885 3.030 1.00 0.00 C ATOM 25 C LEU A 4 6.421 -10.351 3.232 1.00 0.00 C ATOM 26 O LEU A 4 6.586 -9.148 3.414 1.00 0.00 O ATOM 27 CB LEU A 4 4.412 -11.351 4.365 1.00 0.00 C ATOM 28 CG LEU A 4 3.047 -12.051 4.245 1.00 0.00 C ATOM 29 CD1 LEU A 4 2.477 -12.231 5.654 1.00 0.00 C ATOM 30 CD2 LEU A 4 2.036 -11.272 3.397 1.00 0.00 C ATOM 0 HA LEU A 4 4.384 -10.080 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.115 -12.033 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.307 -10.488 5.023 1.00 0.00 H new ATOM 0 HG LEU A 4 3.211 -13.005 3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.508 -12.726 5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.159 -12.840 6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.358 -11.256 6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.096 -11.822 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.863 -10.293 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.428 -11.145 2.388 1.00 0.00 H new ATOM 31 N ALA A 5 7.446 -11.212 3.219 1.00 0.00 N ATOM 32 CA ALA A 5 8.824 -10.755 3.395 1.00 0.00 C ATOM 33 C ALA A 5 9.301 -10.022 2.139 1.00 0.00 C ATOM 34 O ALA A 5 9.859 -8.932 2.244 1.00 0.00 O ATOM 35 CB ALA A 5 9.739 -11.924 3.770 1.00 0.00 C ATOM 0 H ALA A 5 7.346 -12.219 3.090 1.00 0.00 H new ATOM 0 HA ALA A 5 8.863 -10.046 4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.759 -11.562 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.395 -12.371 4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.715 -12.673 2.978 1.00 0.00 H new ATOM 36 N LEU A 6 9.044 -10.576 0.952 1.00 0.00 N ATOM 37 CA LEU A 6 9.185 -9.896 -0.319 1.00 0.00 C ATOM 38 C LEU A 6 8.447 -8.558 -0.241 1.00 0.00 C ATOM 39 O LEU A 6 9.044 -7.501 -0.440 1.00 0.00 O ATOM 40 CB LEU A 6 8.617 -10.819 -1.411 1.00 0.00 C ATOM 41 CG LEU A 6 8.499 -10.157 -2.788 1.00 0.00 C ATOM 42 CD1 LEU A 6 9.868 -9.890 -3.421 1.00 0.00 C ATOM 43 CD2 LEU A 6 7.659 -11.035 -3.721 1.00 0.00 C ATOM 0 H LEU A 6 8.723 -11.539 0.856 1.00 0.00 H new ATOM 0 HA LEU A 6 10.226 -9.682 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.254 -11.699 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.632 -11.168 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 6 8.009 -9.194 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.733 -9.420 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.444 -9.227 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.402 -10.832 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.580 -10.557 -4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.136 -12.009 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.662 -11.165 -3.299 1.00 0.00 H new ATOM 44 N GLY A 7 7.153 -8.602 0.086 1.00 0.00 N ATOM 45 CA GLY A 7 6.341 -7.413 0.263 1.00 0.00 C ATOM 46 C GLY A 7 7.017 -6.390 1.174 1.00 0.00 C ATOM 47 O GLY A 7 7.099 -5.214 0.832 1.00 0.00 O ATOM 0 H GLY A 7 6.643 -9.473 0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.145 -6.960 -0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.376 -7.693 0.685 1.00 0.00 H new ATOM 48 N LYS A 8 7.533 -6.823 2.324 1.00 0.00 N ATOM 49 CA LYS A 8 8.264 -5.955 3.217 1.00 0.00 C ATOM 50 C LYS A 8 9.470 -5.349 2.501 1.00 0.00 C ATOM 51 O LYS A 8 9.620 -4.137 2.491 1.00 0.00 O ATOM 52 CB LYS A 8 8.677 -6.707 4.487 1.00 0.00 C ATOM 53 CG LYS A 8 9.436 -5.715 5.365 1.00 0.00 C ATOM 54 CD LYS A 8 9.760 -6.262 6.756 1.00 0.00 C ATOM 55 CE LYS A 8 10.073 -5.139 7.759 1.00 0.00 C ATOM 56 NZ LYS A 8 10.836 -4.014 7.173 1.00 0.00 N ATOM 0 H LYS A 8 7.451 -7.785 2.653 1.00 0.00 H new ATOM 0 HA LYS A 8 7.613 -5.136 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.801 -7.093 5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.305 -7.564 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.364 -5.436 4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.844 -4.806 5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.917 -6.849 7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.613 -6.937 6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.137 -4.758 8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.639 -5.555 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.313 -3.485 7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.546 -4.384 6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.186 -3.381 6.665 1.00 0.00 H new ATOM 57 N ALA A 9 10.343 -6.178 1.934 1.00 0.00 N ATOM 58 CA ALA A 9 11.537 -5.726 1.230 1.00 0.00 C ATOM 59 C ALA A 9 11.198 -4.641 0.202 1.00 0.00 C ATOM 60 O ALA A 9 11.865 -3.608 0.139 1.00 0.00 O ATOM 61 CB ALA A 9 12.242 -6.916 0.571 1.00 0.00 C ATOM 0 H ALA A 9 10.239 -7.193 1.951 1.00 0.00 H new ATOM 0 HA ALA A 9 12.218 -5.281 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.132 -6.567 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.530 -7.638 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.566 -7.391 -0.140 1.00 0.00 H new ATOM 62 N VAL A 10 10.141 -4.852 -0.585 1.00 0.00 N ATOM 63 CA VAL A 10 9.634 -3.840 -1.493 1.00 0.00 C ATOM 64 C VAL A 10 9.249 -2.594 -0.698 1.00 0.00 C ATOM 65 O VAL A 10 9.726 -1.501 -1.005 1.00 0.00 O ATOM 66 CB VAL A 10 8.441 -4.405 -2.276 1.00 0.00 C ATOM 67 CG1 VAL A 10 7.822 -3.343 -3.184 1.00 0.00 C ATOM 68 CG2 VAL A 10 8.848 -5.592 -3.150 1.00 0.00 C ATOM 0 H VAL A 10 9.619 -5.728 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 10 10.403 -3.558 -2.212 1.00 0.00 H new ATOM 0 HB VAL A 10 7.715 -4.731 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.980 -3.773 -3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.475 -2.505 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.569 -2.992 -3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.976 -5.964 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.607 -5.274 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.251 -6.386 -2.521 1.00 0.00 H new ATOM 69 N PHE A 11 8.384 -2.759 0.305 1.00 0.00 N ATOM 70 CA PHE A 11 7.851 -1.683 1.126 1.00 0.00 C ATOM 71 C PHE A 11 8.961 -0.771 1.644 1.00 0.00 C ATOM 72 O PHE A 11 8.982 0.431 1.367 1.00 0.00 O ATOM 73 CB PHE A 11 7.018 -2.263 2.274 1.00 0.00 C ATOM 74 CG PHE A 11 6.223 -1.215 3.016 1.00 0.00 C ATOM 75 CD1 PHE A 11 6.816 -0.496 4.071 1.00 0.00 C ATOM 76 CD2 PHE A 11 4.951 -0.848 2.540 1.00 0.00 C ATOM 77 CE1 PHE A 11 6.174 0.642 4.587 1.00 0.00 C ATOM 78 CE2 PHE A 11 4.314 0.292 3.053 1.00 0.00 C ATOM 79 CZ PHE A 11 4.943 1.057 4.049 1.00 0.00 C ATOM 0 H PHE A 11 8.027 -3.676 0.572 1.00 0.00 H new ATOM 0 HA PHE A 11 7.200 -1.066 0.506 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.336 -3.014 1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.680 -2.772 2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.761 -0.818 4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.465 -1.443 1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.625 1.197 5.396 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.341 0.581 2.683 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.480 1.966 4.403 1.00 0.00 H new ATOM 80 N ASP A 12 9.889 -1.383 2.377 1.00 0.00 N ATOM 81 CA ASP A 12 11.082 -0.797 2.947 1.00 0.00 C ATOM 82 C ASP A 12 11.811 0.094 1.936 1.00 0.00 C ATOM 83 O ASP A 12 12.317 1.150 2.307 1.00 0.00 O ATOM 84 CB ASP A 12 11.996 -1.939 3.421 1.00 0.00 C ATOM 85 CG ASP A 12 11.485 -2.742 4.614 1.00 0.00 C ATOM 86 OD1 ASP A 12 10.376 -2.474 5.133 1.00 0.00 O ATOM 87 OD2 ASP A 12 12.218 -3.649 5.072 1.00 0.00 O ATOM 0 H ASP A 12 9.813 -2.375 2.600 1.00 0.00 H new ATOM 0 HA ASP A 12 10.806 -0.159 3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.155 -2.623 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.968 -1.519 3.679 1.00 0.00 H new ATOM 88 N GLY A 13 11.889 -0.324 0.667 1.00 0.00 N ATOM 89 CA GLY A 13 12.604 0.425 -0.353 1.00 0.00 C ATOM 90 C GLY A 13 11.731 1.519 -0.966 1.00 0.00 C ATOM 91 O GLY A 13 12.187 2.639 -1.180 1.00 0.00 O ATOM 0 H GLY A 13 11.459 -1.185 0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.497 0.873 0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.939 -0.255 -1.136 1.00 0.00 H new ATOM 92 N ASN A 14 10.492 1.168 -1.317 1.00 0.00 N ATOM 93 CA ASN A 14 9.692 1.903 -2.291 1.00 0.00 C ATOM 94 C ASN A 14 8.630 2.778 -1.635 1.00 0.00 C ATOM 95 O ASN A 14 8.284 3.836 -2.161 1.00 0.00 O ATOM 96 CB ASN A 14 9.006 0.923 -3.254 1.00 0.00 C ATOM 97 CG ASN A 14 10.001 0.189 -4.144 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.266 0.609 -5.266 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.558 -0.915 -3.655 1.00 0.00 N ATOM 0 H ASN A 14 10.013 0.356 -0.927 1.00 0.00 H new ATOM 0 HA ASN A 14 10.376 2.556 -2.832 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.432 0.196 -2.680 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.298 1.468 -3.878 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.228 -1.440 -4.217 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.315 -1.237 -2.718 1.00 0.00 H new ATOM 100 N CYS A 15 8.057 2.298 -0.532 1.00 0.00 N ATOM 101 CA CYS A 15 6.810 2.801 0.031 1.00 0.00 C ATOM 102 C CYS A 15 7.120 3.598 1.295 1.00 0.00 C ATOM 103 O CYS A 15 6.599 4.699 1.511 1.00 0.00 O ATOM 104 CB CYS A 15 5.907 1.635 0.350 1.00 0.00 C ATOM 105 SG CYS A 15 5.729 0.428 -1.002 1.00 0.00 S ATOM 0 H CYS A 15 8.459 1.530 0.006 1.00 0.00 H new ATOM 0 HA CYS A 15 6.307 3.452 -0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.294 1.122 1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.920 2.017 0.612 1.00 0.00 H new ATOM 0 HG CYS A 15 4.937 -0.532 -0.625 1.00 0.00 H new ATOM 106 N ALA A 16 8.029 3.048 2.108 1.00 0.00 N ATOM 107 CA ALA A 16 8.575 3.688 3.295 1.00 0.00 C ATOM 108 C ALA A 16 8.988 5.134 3.011 1.00 0.00 C ATOM 109 O ALA A 16 8.831 5.992 3.874 1.00 0.00 O ATOM 110 CB ALA A 16 9.760 2.876 3.815 1.00 0.00 C ATOM 0 H ALA A 16 8.412 2.117 1.947 1.00 0.00 H new ATOM 0 HA ALA A 16 7.799 3.719 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.168 3.356 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.428 1.869 4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.530 2.823 3.046 1.00 0.00 H new ATOM 111 N ALA A 17 9.471 5.404 1.793 1.00 0.00 N ATOM 112 CA ALA A 17 9.764 6.739 1.288 1.00 0.00 C ATOM 113 C ALA A 17 8.725 7.788 1.710 1.00 0.00 C ATOM 114 O ALA A 17 9.105 8.889 2.103 1.00 0.00 O ATOM 115 CB ALA A 17 9.871 6.682 -0.239 1.00 0.00 C ATOM 0 H ALA A 17 9.673 4.671 1.113 1.00 0.00 H new ATOM 0 HA ALA A 17 10.710 7.055 1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.090 7.677 -0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.671 5.998 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.928 6.330 -0.657 1.00 0.00 H new ATOM 116 N CYS A 18 7.429 7.463 1.606 1.00 0.00 N ATOM 117 CA CYS A 18 6.341 8.393 1.916 1.00 0.00 C ATOM 118 C CYS A 18 5.584 7.987 3.181 1.00 0.00 C ATOM 119 O CYS A 18 5.069 8.858 3.888 1.00 0.00 O ATOM 120 CB CYS A 18 5.383 8.492 0.759 1.00 0.00 C ATOM 121 SG CYS A 18 6.132 9.397 -0.622 1.00 0.00 S ATOM 0 H CYS A 18 7.108 6.544 1.303 1.00 0.00 H new ATOM 0 HA CYS A 18 6.795 9.368 2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.096 7.493 0.432 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.471 8.997 1.078 1.00 0.00 H new ATOM 0 HG CYS A 18 5.285 9.465 -1.606 1.00 0.00 H new ATOM 122 N HIS A 19 5.473 6.679 3.432 1.00 0.00 N ATOM 123 CA HIS A 19 4.643 6.117 4.490 1.00 0.00 C ATOM 124 C HIS A 19 5.447 5.752 5.747 1.00 0.00 C ATOM 125 O HIS A 19 4.863 5.654 6.819 1.00 0.00 O ATOM 126 CB HIS A 19 3.876 4.927 3.895 1.00 0.00 C ATOM 127 CG HIS A 19 2.890 5.324 2.814 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.696 5.974 3.031 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.937 5.003 1.474 1.00 0.00 C ATOM 130 CE1 HIS A 19 1.047 6.029 1.860 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.746 5.457 0.880 1.00 0.00 N ATOM 0 H HIS A 19 5.970 5.971 2.892 1.00 0.00 H new ATOM 0 HA HIS A 19 3.934 6.866 4.843 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.590 4.215 3.481 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.341 4.414 4.694 1.00 0.00 H new ATOM 0 HD1 HIS A 19 1.365 6.346 3.921 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.745 4.493 0.970 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.076 6.482 1.727 1.00 0.00 H new ATOM 132 N ALA A 20 6.769 5.561 5.648 1.00 0.00 N ATOM 133 CA ALA A 20 7.694 5.290 6.755 1.00 0.00 C ATOM 134 C ALA A 20 7.067 4.527 7.935 1.00 0.00 C ATOM 135 O ALA A 20 7.159 4.958 9.081 1.00 0.00 O ATOM 136 CB ALA A 20 8.331 6.611 7.204 1.00 0.00 C ATOM 0 H ALA A 20 7.246 5.593 4.747 1.00 0.00 H new ATOM 0 HA ALA A 20 8.461 4.613 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.020 6.421 8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.875 7.055 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.551 7.297 7.535 1.00 0.00 H new ATOM 137 N GLY A 21 6.411 3.400 7.642 1.00 0.00 N ATOM 138 CA GLY A 21 5.442 2.772 8.527 1.00 0.00 C ATOM 139 C GLY A 21 4.096 2.864 7.814 1.00 0.00 C ATOM 140 O GLY A 21 4.059 2.693 6.599 1.00 0.00 O ATOM 0 H GLY A 21 6.545 2.895 6.766 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.709 1.734 8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.408 3.280 9.491 1.00 0.00 H new ATOM 141 N GLY A 22 3.011 3.184 8.527 1.00 0.00 N ATOM 142 CA GLY A 22 1.714 3.458 7.910 1.00 0.00 C ATOM 143 C GLY A 22 1.448 4.960 7.754 1.00 0.00 C ATOM 144 O GLY A 22 0.323 5.371 7.465 1.00 0.00 O ATOM 0 H GLY A 22 3.009 3.260 9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.672 2.981 6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.925 3.013 8.516 1.00 0.00 H new ATOM 145 N GLY A 23 2.477 5.775 7.974 1.00 0.00 N ATOM 146 CA GLY A 23 2.432 7.205 8.183 1.00 0.00 C ATOM 147 C GLY A 23 2.556 8.007 6.904 1.00 0.00 C ATOM 148 O GLY A 23 3.615 8.557 6.616 1.00 0.00 O ATOM 0 H GLY A 23 3.432 5.418 8.012 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.494 7.463 8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.236 7.491 8.861 1.00 0.00 H new ATOM 149 N ASN A 24 1.447 8.130 6.179 1.00 0.00 N ATOM 150 CA ASN A 24 1.262 9.133 5.150 1.00 0.00 C ATOM 151 C ASN A 24 1.778 10.496 5.616 1.00 0.00 C ATOM 152 O ASN A 24 1.105 11.164 6.393 1.00 0.00 O ATOM 153 CB ASN A 24 -0.240 9.239 4.882 1.00 0.00 C ATOM 154 CG ASN A 24 -0.685 8.296 3.793 1.00 0.00 C ATOM 155 OD1 ASN A 24 -0.582 7.086 3.968 1.00 0.00 O ATOM 156 ND2 ASN A 24 -1.146 8.839 2.672 1.00 0.00 N ATOM 0 H ASN A 24 0.639 7.519 6.298 1.00 0.00 H new ATOM 0 HA ASN A 24 1.814 8.847 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.789 9.020 5.798 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.487 10.262 4.599 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.437 8.242 1.898 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.209 9.853 2.585 1.00 0.00 H new ATOM 157 N ASN A 25 2.937 10.939 5.118 1.00 0.00 N ATOM 158 CA ASN A 25 3.387 12.305 5.372 1.00 0.00 C ATOM 159 C ASN A 25 2.612 13.301 4.503 1.00 0.00 C ATOM 160 O ASN A 25 2.313 14.407 4.946 1.00 0.00 O ATOM 161 CB ASN A 25 4.906 12.448 5.201 1.00 0.00 C ATOM 162 CG ASN A 25 5.319 12.604 3.739 1.00 0.00 C ATOM 163 OD1 ASN A 25 5.510 13.713 3.255 1.00 0.00 O ATOM 164 ND2 ASN A 25 5.437 11.498 3.016 1.00 0.00 N ATOM 0 H ASN A 25 3.570 10.379 4.546 1.00 0.00 H new ATOM 0 HA ASN A 25 3.172 12.540 6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.252 13.313 5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.400 11.573 5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.693 11.558 2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.272 10.588 3.446 1.00 0.00 H new ATOM 165 N VAL A 26 2.291 12.914 3.264 1.00 0.00 N ATOM 166 CA VAL A 26 1.728 13.821 2.271 1.00 0.00 C ATOM 167 C VAL A 26 0.315 14.269 2.673 1.00 0.00 C ATOM 168 O VAL A 26 0.028 15.463 2.692 1.00 0.00 O ATOM 169 CB VAL A 26 1.766 13.168 0.875 1.00 0.00 C ATOM 170 CG1 VAL A 26 1.237 14.131 -0.202 1.00 0.00 C ATOM 171 CG2 VAL A 26 3.185 12.720 0.498 1.00 0.00 C ATOM 0 H VAL A 26 2.416 11.960 2.926 1.00 0.00 H new ATOM 0 HA VAL A 26 2.338 14.724 2.226 1.00 0.00 H new ATOM 0 HB VAL A 26 1.122 12.290 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.276 13.644 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.207 14.403 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.854 15.030 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.172 12.265 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.850 13.584 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.543 11.993 1.227 1.00 0.00 H new ATOM 172 N ILE A 27 -0.566 13.309 2.979 1.00 0.00 N ATOM 173 CA ILE A 27 -1.938 13.550 3.424 1.00 0.00 C ATOM 174 C ILE A 27 -2.082 12.912 4.814 1.00 0.00 C ATOM 175 O ILE A 27 -2.390 11.722 4.894 1.00 0.00 O ATOM 176 CB ILE A 27 -2.932 12.998 2.380 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.684 13.688 1.023 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.378 13.238 2.835 1.00 0.00 C ATOM 179 CD1 ILE A 27 -3.736 13.368 -0.042 1.00 0.00 C ATOM 0 H ILE A 27 -0.335 12.317 2.921 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.165 14.613 3.510 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.778 11.924 2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.654 14.767 1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.703 13.391 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.065 12.843 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.548 12.734 3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.549 14.308 2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.489 13.891 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.752 12.294 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.717 13.691 0.307 1.00 0.00 H new ATOM 180 N PRO A 28 -1.801 13.667 5.895 1.00 0.00 N ATOM 181 CA PRO A 28 -1.564 13.160 7.243 1.00 0.00 C ATOM 182 C PRO A 28 -2.513 12.069 7.736 1.00 0.00 C ATOM 183 O PRO A 28 -2.079 11.135 8.403 1.00 0.00 O ATOM 184 CB PRO A 28 -1.624 14.386 8.154 1.00 0.00 C ATOM 185 CG PRO A 28 -1.050 15.482 7.260 1.00 0.00 C ATOM 186 CD PRO A 28 -1.582 15.108 5.876 1.00 0.00 C ATOM 0 HA PRO A 28 -0.601 12.650 7.249 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.643 14.610 8.469 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.034 14.249 9.060 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.386 16.472 7.568 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.040 15.494 7.284 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.509 15.639 5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.869 15.382 5.099 1.00 0.00 H new ATOM 187 N ASP A 29 -3.808 12.220 7.464 1.00 0.00 N ATOM 188 CA ASP A 29 -4.880 11.374 7.961 1.00 0.00 C ATOM 189 C ASP A 29 -5.106 10.144 7.078 1.00 0.00 C ATOM 190 O ASP A 29 -5.638 9.138 7.549 1.00 0.00 O ATOM 191 CB ASP A 29 -6.158 12.220 8.036 1.00 0.00 C ATOM 192 CG ASP A 29 -6.553 12.786 6.675 1.00 0.00 C ATOM 193 OD1 ASP A 29 -5.674 13.442 6.068 1.00 0.00 O ATOM 194 OD2 ASP A 29 -7.712 12.555 6.275 1.00 0.00 O ATOM 0 H ASP A 29 -4.149 12.971 6.864 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.605 11.000 8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.973 11.610 8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.009 13.039 8.739 1.00 0.00 H new ATOM 195 N HIS A 30 -4.690 10.179 5.810 1.00 0.00 N ATOM 196 CA HIS A 30 -5.013 9.138 4.835 1.00 0.00 C ATOM 197 C HIS A 30 -4.012 7.977 4.940 1.00 0.00 C ATOM 198 O HIS A 30 -3.509 7.484 3.934 1.00 0.00 O ATOM 199 CB HIS A 30 -5.085 9.810 3.455 1.00 0.00 C ATOM 200 CG HIS A 30 -5.769 9.040 2.350 1.00 0.00 C ATOM 201 ND1 HIS A 30 -5.628 7.703 2.069 1.00 0.00 N ATOM 202 CD2 HIS A 30 -6.512 9.589 1.338 1.00 0.00 C ATOM 203 CE1 HIS A 30 -6.250 7.463 0.901 1.00 0.00 C ATOM 204 NE2 HIS A 30 -6.795 8.585 0.411 1.00 0.00 N ATOM 0 H HIS A 30 -4.118 10.933 5.431 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.982 8.676 5.026 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.598 10.765 3.570 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.067 10.032 3.133 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -5.139 7.016 2.643 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.825 10.621 1.270 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.303 6.496 0.422 1.00 0.00 H new ATOM 205 N THR A 31 -3.711 7.566 6.177 1.00 0.00 N ATOM 206 CA THR A 31 -2.656 6.628 6.545 1.00 0.00 C ATOM 207 C THR A 31 -2.942 5.216 6.037 1.00 0.00 C ATOM 208 O THR A 31 -4.083 4.894 5.727 1.00 0.00 O ATOM 209 CB THR A 31 -2.550 6.625 8.076 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.840 6.519 8.646 1.00 0.00 O ATOM 211 CG2 THR A 31 -1.917 7.927 8.567 1.00 0.00 C ATOM 0 H THR A 31 -4.229 7.900 6.990 1.00 0.00 H new ATOM 0 HA THR A 31 -1.719 6.943 6.085 1.00 0.00 H new ATOM 0 HB THR A 31 -1.933 5.777 8.374 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.767 6.516 9.623 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.848 7.911 9.655 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.919 8.029 8.142 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.532 8.771 8.255 1.00 0.00 H new ATOM 212 N LEU A 32 -1.960 4.309 6.083 1.00 0.00 N ATOM 213 CA LEU A 32 -2.179 2.909 5.709 1.00 0.00 C ATOM 214 C LEU A 32 -2.938 2.122 6.793 1.00 0.00 C ATOM 215 O LEU A 32 -2.686 0.934 6.991 1.00 0.00 O ATOM 216 CB LEU A 32 -0.836 2.225 5.405 1.00 0.00 C ATOM 217 CG LEU A 32 0.058 2.971 4.404 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.262 2.094 4.041 1.00 0.00 C ATOM 219 CD2 LEU A 32 -0.714 3.292 3.126 1.00 0.00 C ATOM 0 H LEU A 32 -1.006 4.520 6.376 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.802 2.910 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.287 2.103 6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.033 1.225 5.018 1.00 0.00 H new ATOM 0 HG LEU A 32 0.390 3.901 4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.897 2.623 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.834 1.870 4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.913 1.164 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.062 3.821 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.059 2.366 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.572 3.919 3.367 1.00 0.00 H new ATOM 220 N GLN A 33 -3.860 2.764 7.512 1.00 0.00 N ATOM 221 CA GLN A 33 -4.628 2.133 8.572 1.00 0.00 C ATOM 222 C GLN A 33 -5.797 1.376 7.961 1.00 0.00 C ATOM 223 O GLN A 33 -6.351 1.818 6.958 1.00 0.00 O ATOM 224 CB GLN A 33 -5.154 3.196 9.553 1.00 0.00 C ATOM 225 CG GLN A 33 -4.407 3.157 10.887 1.00 0.00 C ATOM 226 CD GLN A 33 -4.590 1.831 11.625 1.00 0.00 C ATOM 227 OE1 GLN A 33 -5.382 0.980 11.219 1.00 0.00 O ATOM 228 NE2 GLN A 33 -3.840 1.643 12.703 1.00 0.00 N ATOM 0 H GLN A 33 -4.093 3.747 7.369 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.986 1.441 9.117 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.050 4.185 9.107 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.218 3.035 9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.345 3.326 10.709 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.758 3.972 11.520 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.195 2.372 13.009 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.908 0.770 13.226 1.00 0.00 H new ATOM 229 N LYS A 34 -6.237 0.294 8.610 1.00 0.00 N ATOM 230 CA LYS A 34 -7.439 -0.416 8.209 1.00 0.00 C ATOM 231 C LYS A 34 -8.579 0.590 8.062 1.00 0.00 C ATOM 232 O LYS A 34 -9.136 0.771 6.986 1.00 0.00 O ATOM 233 CB LYS A 34 -7.762 -1.476 9.257 1.00 0.00 C ATOM 234 CG LYS A 34 -8.964 -2.310 8.809 1.00 0.00 C ATOM 235 CD LYS A 34 -9.204 -3.390 9.859 1.00 0.00 C ATOM 236 CE LYS A 34 -10.398 -4.294 9.513 1.00 0.00 C ATOM 237 NZ LYS A 34 -11.670 -3.549 9.380 1.00 0.00 N ATOM 0 H LYS A 34 -5.768 -0.107 9.422 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.295 -0.916 7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.898 -2.122 9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.977 -0.999 10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.847 -1.680 8.702 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.774 -2.761 7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.307 -4.001 9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.378 -2.919 10.827 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.191 -4.818 8.580 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.508 -5.053 10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.362 -3.918 10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.503 -2.540 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.041 -3.665 8.415 1.00 0.00 H new ATOM 238 N ALA A 35 -8.869 1.291 9.156 1.00 0.00 N ATOM 239 CA ALA A 35 -9.914 2.303 9.215 1.00 0.00 C ATOM 240 C ALA A 35 -9.760 3.380 8.133 1.00 0.00 C ATOM 241 O ALA A 35 -10.751 3.945 7.675 1.00 0.00 O ATOM 242 CB ALA A 35 -9.905 2.945 10.605 1.00 0.00 C ATOM 0 H ALA A 35 -8.374 1.167 10.040 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.868 1.810 9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.684 3.705 10.660 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.090 2.181 11.360 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.935 3.407 10.786 1.00 0.00 H new ATOM 243 N ALA A 36 -8.525 3.701 7.741 1.00 0.00 N ATOM 244 CA ALA A 36 -8.265 4.779 6.796 1.00 0.00 C ATOM 245 C ALA A 36 -8.509 4.261 5.384 1.00 0.00 C ATOM 246 O ALA A 36 -9.201 4.905 4.600 1.00 0.00 O ATOM 247 CB ALA A 36 -6.839 5.292 6.986 1.00 0.00 C ATOM 0 H ALA A 36 -7.686 3.223 8.069 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.937 5.619 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.645 6.098 6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.719 5.665 8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.134 4.479 6.812 1.00 0.00 H new ATOM 248 N ILE A 37 -8.043 3.041 5.109 1.00 0.00 N ATOM 249 CA ILE A 37 -8.411 2.320 3.907 1.00 0.00 C ATOM 250 C ILE A 37 -9.930 2.258 3.785 1.00 0.00 C ATOM 251 O ILE A 37 -10.483 2.659 2.766 1.00 0.00 O ATOM 252 CB ILE A 37 -7.743 0.931 3.904 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.368 0.996 3.241 1.00 0.00 C ATOM 254 CG2 ILE A 37 -8.576 -0.117 3.168 1.00 0.00 C ATOM 255 CD1 ILE A 37 -5.348 0.092 3.940 1.00 0.00 C ATOM 0 H ILE A 37 -7.401 2.533 5.718 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.046 2.845 3.024 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.653 0.636 4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.456 0.702 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.008 2.025 3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.060 -1.077 3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.548 -0.214 3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.715 0.191 2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.386 0.171 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.239 0.402 4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.693 -0.941 3.905 1.00 0.00 H new ATOM 256 N GLU A 38 -10.620 1.744 4.800 1.00 0.00 N ATOM 257 CA GLU A 38 -12.030 1.449 4.662 1.00 0.00 C ATOM 258 C GLU A 38 -12.859 2.701 4.357 1.00 0.00 C ATOM 259 O GLU A 38 -13.859 2.617 3.650 1.00 0.00 O ATOM 260 CB GLU A 38 -12.515 0.690 5.902 1.00 0.00 C ATOM 261 CG GLU A 38 -11.853 -0.691 5.868 1.00 0.00 C ATOM 262 CD GLU A 38 -12.135 -1.573 7.068 1.00 0.00 C ATOM 263 OE1 GLU A 38 -12.176 -1.084 8.216 1.00 0.00 O ATOM 264 OE2 GLU A 38 -12.154 -2.811 6.903 1.00 0.00 O ATOM 0 H GLU A 38 -10.225 1.528 5.715 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.174 0.803 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.245 1.225 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.601 0.597 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.183 -1.212 4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.775 -0.557 5.781 1.00 0.00 H new ATOM 265 N GLN A 39 -12.434 3.855 4.874 1.00 0.00 N ATOM 266 CA GLN A 39 -12.995 5.141 4.501 1.00 0.00 C ATOM 267 C GLN A 39 -12.560 5.541 3.089 1.00 0.00 C ATOM 268 O GLN A 39 -13.393 5.734 2.205 1.00 0.00 O ATOM 269 CB GLN A 39 -12.538 6.188 5.521 1.00 0.00 C ATOM 270 CG GLN A 39 -13.220 5.942 6.865 1.00 0.00 C ATOM 271 CD GLN A 39 -12.672 6.868 7.944 1.00 0.00 C ATOM 272 OE1 GLN A 39 -13.289 7.869 8.294 1.00 0.00 O ATOM 273 NE2 GLN A 39 -11.506 6.532 8.483 1.00 0.00 N ATOM 0 H GLN A 39 -11.687 3.917 5.566 1.00 0.00 H new ATOM 0 HA GLN A 39 -14.083 5.075 4.500 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.455 6.143 5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.778 7.188 5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.294 6.095 6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.073 4.904 7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.021 5.692 8.167 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.095 7.114 9.213 1.00 0.00 H new ATOM 274 N PHE A 40 -11.256 5.749 2.909 1.00 0.00 N ATOM 275 CA PHE A 40 -10.716 6.466 1.761 1.00 0.00 C ATOM 276 C PHE A 40 -10.586 5.598 0.507 1.00 0.00 C ATOM 277 O PHE A 40 -10.866 6.080 -0.589 1.00 0.00 O ATOM 278 CB PHE A 40 -9.386 7.134 2.135 1.00 0.00 C ATOM 279 CG PHE A 40 -9.470 8.091 3.312 1.00 0.00 C ATOM 280 CD1 PHE A 40 -10.334 9.201 3.256 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.633 7.919 4.430 1.00 0.00 C ATOM 282 CE1 PHE A 40 -10.369 10.125 4.314 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.691 8.825 5.504 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.543 9.941 5.435 1.00 0.00 C ATOM 0 H PHE A 40 -10.543 5.422 3.561 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.437 7.240 1.498 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.656 6.358 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.010 7.677 1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.972 9.343 2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.944 7.088 4.463 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.031 10.977 4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.082 8.664 6.381 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.562 10.657 6.244 1.00 0.00 H new ATOM 285 N LEU A 41 -10.144 4.343 0.631 1.00 0.00 N ATOM 286 CA LEU A 41 -9.972 3.448 -0.497 1.00 0.00 C ATOM 287 C LEU A 41 -11.297 3.220 -1.230 1.00 0.00 C ATOM 288 O LEU A 41 -12.176 2.509 -0.738 1.00 0.00 O ATOM 289 CB LEU A 41 -9.384 2.112 -0.011 1.00 0.00 C ATOM 290 CG LEU A 41 -8.392 1.463 -0.982 1.00 0.00 C ATOM 291 CD1 LEU A 41 -8.819 1.517 -2.450 1.00 0.00 C ATOM 292 CD2 LEU A 41 -7.044 2.154 -0.788 1.00 0.00 C ATOM 0 H LEU A 41 -9.896 3.925 1.528 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.281 3.908 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.884 2.276 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.202 1.415 0.173 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.341 0.399 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.061 1.036 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.769 0.997 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.932 2.556 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.310 1.717 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.146 3.218 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.712 2.021 0.242 1.00 0.00 H new ATOM 293 N ASP A 42 -11.396 3.748 -2.450 1.00 0.00 N ATOM 294 CA ASP A 42 -12.401 3.456 -3.460 1.00 0.00 C ATOM 295 C ASP A 42 -12.290 1.985 -3.881 1.00 0.00 C ATOM 296 O ASP A 42 -11.857 1.660 -4.985 1.00 0.00 O ATOM 297 CB ASP A 42 -12.208 4.427 -4.645 1.00 0.00 C ATOM 298 CG ASP A 42 -10.792 4.426 -5.221 1.00 0.00 C ATOM 299 OD1 ASP A 42 -9.830 4.413 -4.418 1.00 0.00 O ATOM 300 OD2 ASP A 42 -10.635 4.473 -6.459 1.00 0.00 O ATOM 0 H ASP A 42 -10.724 4.442 -2.778 1.00 0.00 H new ATOM 0 HA ASP A 42 -13.407 3.602 -3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.912 4.165 -5.435 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.457 5.437 -4.319 1.00 0.00 H new ATOM 301 N GLY A 43 -12.659 1.088 -2.965 1.00 0.00 N ATOM 302 CA GLY A 43 -12.386 -0.328 -3.048 1.00 0.00 C ATOM 303 C GLY A 43 -12.510 -1.045 -1.697 1.00 0.00 C ATOM 304 O GLY A 43 -12.849 -2.226 -1.669 1.00 0.00 O ATOM 0 H GLY A 43 -13.172 1.346 -2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.075 -0.784 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.380 -0.476 -3.440 1.00 0.00 H new ATOM 305 N GLY A 44 -12.243 -0.365 -0.575 1.00 0.00 N ATOM 306 CA GLY A 44 -12.381 -0.944 0.751 1.00 0.00 C ATOM 307 C GLY A 44 -11.176 -1.804 1.124 1.00 0.00 C ATOM 308 O GLY A 44 -10.204 -1.908 0.375 1.00 0.00 O ATOM 0 H GLY A 44 -11.925 0.604 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.499 -0.147 1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.286 -1.550 0.790 1.00 0.00 H new ATOM 309 N PHE A 45 -11.241 -2.421 2.307 1.00 0.00 N ATOM 310 CA PHE A 45 -10.182 -3.282 2.829 1.00 0.00 C ATOM 311 C PHE A 45 -10.157 -4.616 2.085 1.00 0.00 C ATOM 312 O PHE A 45 -10.487 -5.659 2.650 1.00 0.00 O ATOM 313 CB PHE A 45 -10.304 -3.468 4.349 1.00 0.00 C ATOM 314 CG PHE A 45 -9.053 -3.998 5.023 1.00 0.00 C ATOM 315 CD1 PHE A 45 -7.928 -3.162 5.147 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.015 -5.298 5.559 1.00 0.00 C ATOM 317 CE1 PHE A 45 -6.732 -3.660 5.682 1.00 0.00 C ATOM 318 CE2 PHE A 45 -7.829 -5.782 6.142 1.00 0.00 C ATOM 319 CZ PHE A 45 -6.676 -4.976 6.160 1.00 0.00 C ATOM 0 H PHE A 45 -12.040 -2.334 2.935 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.225 -2.790 2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.565 -2.510 4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.128 -4.152 4.553 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.986 -2.132 4.828 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.895 -5.924 5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.855 -3.031 5.726 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.804 -6.771 6.575 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.747 -5.372 6.543 1.00 0.00 H new ATOM 320 N ASN A 46 -9.738 -4.586 0.819 1.00 0.00 N ATOM 321 CA ASN A 46 -9.697 -5.752 -0.062 1.00 0.00 C ATOM 322 C ASN A 46 -8.338 -5.797 -0.760 1.00 0.00 C ATOM 323 O ASN A 46 -7.737 -4.749 -0.997 1.00 0.00 O ATOM 324 CB ASN A 46 -10.860 -5.684 -1.056 1.00 0.00 C ATOM 325 CG ASN A 46 -12.215 -5.770 -0.356 1.00 0.00 C ATOM 326 OD1 ASN A 46 -12.541 -6.780 0.259 1.00 0.00 O ATOM 327 ND2 ASN A 46 -13.021 -4.713 -0.416 1.00 0.00 N ATOM 0 H ASN A 46 -9.411 -3.731 0.369 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.812 -6.674 0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.801 -4.753 -1.620 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.771 -6.498 -1.775 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.926 -4.734 0.054 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.734 -3.881 -0.932 1.00 0.00 H new ATOM 328 N ILE A 47 -7.813 -6.988 -1.067 1.00 0.00 N ATOM 329 CA ILE A 47 -6.471 -7.123 -1.609 1.00 0.00 C ATOM 330 C ILE A 47 -6.457 -6.449 -2.976 1.00 0.00 C ATOM 331 O ILE A 47 -5.611 -5.603 -3.241 1.00 0.00 O ATOM 332 CB ILE A 47 -6.083 -8.613 -1.675 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.797 -9.197 -0.278 1.00 0.00 C ATOM 334 CG2 ILE A 47 -4.896 -8.847 -2.614 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.432 -8.801 0.297 1.00 0.00 C ATOM 0 H ILE A 47 -8.306 -7.873 -0.946 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.729 -6.639 -0.974 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.944 -9.142 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.578 -8.869 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.856 -10.284 -0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.652 -9.909 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.156 -8.515 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.034 -8.283 -2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.307 -9.252 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.642 -9.153 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.375 -7.716 0.385 1.00 0.00 H new ATOM 336 N GLU A 48 -7.428 -6.804 -3.812 1.00 0.00 N ATOM 337 CA GLU A 48 -7.721 -6.198 -5.097 1.00 0.00 C ATOM 338 C GLU A 48 -7.593 -4.678 -5.005 1.00 0.00 C ATOM 339 O GLU A 48 -6.800 -4.064 -5.712 1.00 0.00 O ATOM 340 CB GLU A 48 -9.129 -6.591 -5.560 1.00 0.00 C ATOM 341 CG GLU A 48 -9.575 -8.013 -5.189 1.00 0.00 C ATOM 342 CD GLU A 48 -10.179 -8.133 -3.793 1.00 0.00 C ATOM 343 OE1 GLU A 48 -11.406 -7.941 -3.689 1.00 0.00 O ATOM 344 OE2 GLU A 48 -9.388 -8.358 -2.845 1.00 0.00 O ATOM 0 H GLU A 48 -8.067 -7.569 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.001 -6.563 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.842 -5.883 -5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.179 -6.485 -6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.307 -8.355 -5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.717 -8.681 -5.261 1.00 0.00 H new ATOM 345 N ALA A 49 -8.384 -4.092 -4.106 1.00 0.00 N ATOM 346 CA ALA A 49 -8.400 -2.658 -3.843 1.00 0.00 C ATOM 347 C ALA A 49 -7.000 -2.115 -3.529 1.00 0.00 C ATOM 348 O ALA A 49 -6.568 -1.127 -4.126 1.00 0.00 O ATOM 349 CB ALA A 49 -9.380 -2.349 -2.712 1.00 0.00 C ATOM 0 H ALA A 49 -9.044 -4.614 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.734 -2.152 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.388 -1.276 -2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.380 -2.673 -2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.072 -2.877 -1.809 1.00 0.00 H new ATOM 350 N ILE A 50 -6.275 -2.743 -2.597 1.00 0.00 N ATOM 351 CA ILE A 50 -4.915 -2.329 -2.300 1.00 0.00 C ATOM 352 C ILE A 50 -4.063 -2.394 -3.573 1.00 0.00 C ATOM 353 O ILE A 50 -3.461 -1.397 -3.966 1.00 0.00 O ATOM 354 CB ILE A 50 -4.336 -3.183 -1.158 1.00 0.00 C ATOM 355 CG1 ILE A 50 -5.091 -3.040 0.177 1.00 0.00 C ATOM 356 CG2 ILE A 50 -2.860 -2.850 -0.959 1.00 0.00 C ATOM 357 CD1 ILE A 50 -5.161 -1.626 0.754 1.00 0.00 C ATOM 0 H ILE A 50 -6.610 -3.532 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.910 -1.294 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.457 -4.222 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.108 -3.406 0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.616 -3.689 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.456 -3.458 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.313 -3.060 -1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.756 -1.795 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.714 -1.643 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.152 -1.256 0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.667 -0.969 0.047 1.00 0.00 H new ATOM 358 N VAL A 51 -4.001 -3.554 -4.231 1.00 0.00 N ATOM 359 CA VAL A 51 -3.189 -3.756 -5.410 1.00 0.00 C ATOM 360 C VAL A 51 -3.478 -2.648 -6.429 1.00 0.00 C ATOM 361 O VAL A 51 -2.563 -1.977 -6.890 1.00 0.00 O ATOM 362 CB VAL A 51 -3.459 -5.158 -5.982 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.684 -5.306 -7.282 1.00 0.00 C ATOM 364 CG2 VAL A 51 -2.980 -6.287 -5.061 1.00 0.00 C ATOM 0 H VAL A 51 -4.524 -4.383 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.130 -3.700 -5.157 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.538 -5.242 -6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.864 -6.296 -7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.013 -4.546 -7.990 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.619 -5.183 -7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.200 -7.250 -5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.905 -6.197 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.494 -6.218 -4.102 1.00 0.00 H new ATOM 365 N TYR A 52 -4.757 -2.431 -6.736 1.00 0.00 N ATOM 366 CA TYR A 52 -5.252 -1.357 -7.585 1.00 0.00 C ATOM 367 C TYR A 52 -4.627 -0.005 -7.211 1.00 0.00 C ATOM 368 O TYR A 52 -4.106 0.686 -8.084 1.00 0.00 O ATOM 369 CB TYR A 52 -6.788 -1.363 -7.512 1.00 0.00 C ATOM 370 CG TYR A 52 -7.508 -0.071 -7.841 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.910 0.202 -9.162 1.00 0.00 C ATOM 372 CD2 TYR A 52 -7.967 0.746 -6.790 1.00 0.00 C ATOM 373 CE1 TYR A 52 -8.737 1.307 -9.431 1.00 0.00 C ATOM 374 CE2 TYR A 52 -8.843 1.809 -7.055 1.00 0.00 C ATOM 375 CZ TYR A 52 -9.222 2.099 -8.375 1.00 0.00 C ATOM 376 OH TYR A 52 -10.065 3.135 -8.644 1.00 0.00 O ATOM 0 H TYR A 52 -5.505 -3.027 -6.382 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.954 -1.521 -8.620 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.154 -2.134 -8.190 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.076 -1.661 -6.504 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.583 -0.437 -9.969 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.644 0.554 -5.778 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.000 1.548 -10.450 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.227 2.406 -6.241 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.048 3.772 -7.900 1.00 0.00 H new ATOM 377 N GLN A 53 -4.647 0.371 -5.928 1.00 0.00 N ATOM 378 CA GLN A 53 -4.069 1.634 -5.473 1.00 0.00 C ATOM 379 C GLN A 53 -2.604 1.711 -5.912 1.00 0.00 C ATOM 380 O GLN A 53 -2.190 2.663 -6.575 1.00 0.00 O ATOM 381 CB GLN A 53 -4.248 1.755 -3.949 1.00 0.00 C ATOM 382 CG GLN A 53 -3.518 2.946 -3.317 1.00 0.00 C ATOM 383 CD GLN A 53 -4.147 4.299 -3.606 1.00 0.00 C ATOM 384 OE1 GLN A 53 -5.286 4.384 -4.066 1.00 0.00 O ATOM 385 NE2 GLN A 53 -3.413 5.371 -3.327 1.00 0.00 N ATOM 0 H GLN A 53 -5.062 -0.189 -5.183 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.582 2.482 -5.925 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.312 1.837 -3.726 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.894 0.837 -3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.480 2.801 -2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.488 2.955 -3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.473 5.261 -2.947 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.790 6.304 -3.493 1.00 0.00 H new ATOM 386 N ILE A 54 -1.827 0.695 -5.534 1.00 0.00 N ATOM 387 CA ILE A 54 -0.405 0.607 -5.840 1.00 0.00 C ATOM 388 C ILE A 54 -0.169 0.608 -7.352 1.00 0.00 C ATOM 389 O ILE A 54 0.743 1.279 -7.831 1.00 0.00 O ATOM 390 CB ILE A 54 0.186 -0.632 -5.137 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.471 -0.369 -3.646 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.514 -1.074 -5.764 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.788 -0.377 -2.782 1.00 0.00 C ATOM 0 H ILE A 54 -2.176 -0.100 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 54 0.114 1.486 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.570 -1.409 -5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.162 -1.126 -3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.969 0.595 -3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.892 -1.950 -5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.356 -1.323 -6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.239 -0.264 -5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.518 -0.186 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.472 0.398 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.275 -1.349 -2.857 1.00 0.00 H new ATOM 394 N GLU A 55 -0.973 -0.146 -8.098 1.00 0.00 N ATOM 395 CA GLU A 55 -0.842 -0.285 -9.534 1.00 0.00 C ATOM 396 C GLU A 55 -0.900 1.096 -10.186 1.00 0.00 C ATOM 397 O GLU A 55 0.125 1.615 -10.625 1.00 0.00 O ATOM 398 CB GLU A 55 -1.933 -1.233 -10.046 1.00 0.00 C ATOM 399 CG GLU A 55 -1.797 -1.573 -11.535 1.00 0.00 C ATOM 400 CD GLU A 55 -3.164 -1.864 -12.139 1.00 0.00 C ATOM 401 OE1 GLU A 55 -3.962 -0.899 -12.190 1.00 0.00 O ATOM 402 OE2 GLU A 55 -3.399 -3.032 -12.507 1.00 0.00 O ATOM 0 H GLU A 55 -1.746 -0.685 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 55 0.121 -0.722 -9.799 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.903 -2.156 -9.466 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.909 -0.779 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.328 -0.743 -12.063 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.146 -2.438 -11.659 1.00 0.00 H new ATOM 403 N ASN A 56 -2.095 1.683 -10.246 1.00 0.00 N ATOM 404 CA ASN A 56 -2.383 2.830 -11.096 1.00 0.00 C ATOM 405 C ASN A 56 -2.143 4.173 -10.404 1.00 0.00 C ATOM 406 O ASN A 56 -2.045 5.183 -11.098 1.00 0.00 O ATOM 407 CB ASN A 56 -3.793 2.721 -11.695 1.00 0.00 C ATOM 408 CG ASN A 56 -4.837 2.277 -10.682 1.00 0.00 C ATOM 409 OD1 ASN A 56 -5.350 3.075 -9.902 1.00 0.00 O ATOM 410 ND2 ASN A 56 -5.122 0.980 -10.657 1.00 0.00 N ATOM 0 H ASN A 56 -2.897 1.370 -9.699 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.667 2.805 -11.917 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.082 3.688 -12.107 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.776 2.014 -12.524 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.787 0.617 -9.974 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.676 0.347 -11.321 1.00 0.00 H new ATOM 411 N GLY A 57 -1.994 4.212 -9.075 1.00 0.00 N ATOM 412 CA GLY A 57 -1.642 5.448 -8.385 1.00 0.00 C ATOM 413 C GLY A 57 -2.809 6.436 -8.328 1.00 0.00 C ATOM 414 O GLY A 57 -3.803 6.288 -9.036 1.00 0.00 O ATOM 0 H GLY A 57 -2.112 3.405 -8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.317 5.215 -7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.798 5.916 -8.891 1.00 0.00 H new ATOM 415 N LYS A 58 -2.711 7.423 -7.434 1.00 0.00 N ATOM 416 CA LYS A 58 -3.818 8.291 -7.037 1.00 0.00 C ATOM 417 C LYS A 58 -3.323 9.732 -6.845 1.00 0.00 C ATOM 418 O LYS A 58 -2.149 10.021 -7.071 1.00 0.00 O ATOM 419 CB LYS A 58 -4.448 7.723 -5.748 1.00 0.00 C ATOM 420 CG LYS A 58 -5.882 7.192 -5.902 1.00 0.00 C ATOM 421 CD LYS A 58 -5.982 5.989 -6.856 1.00 0.00 C ATOM 422 CE LYS A 58 -7.311 5.231 -6.751 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.544 4.719 -5.390 1.00 0.00 N ATOM 0 H LYS A 58 -1.838 7.645 -6.956 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.579 8.318 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.816 6.915 -5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.446 8.503 -4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.263 6.904 -4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.522 7.994 -6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.852 6.337 -7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.163 5.301 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.130 5.892 -7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.312 4.400 -7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.697 3.691 -5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.716 4.925 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.384 5.179 -4.985 1.00 0.00 H new ATOM 424 N GLY A 59 -4.242 10.612 -6.426 1.00 0.00 N ATOM 425 CA GLY A 59 -4.066 12.026 -6.099 1.00 0.00 C ATOM 426 C GLY A 59 -2.629 12.532 -6.055 1.00 0.00 C ATOM 427 O GLY A 59 -2.213 13.314 -6.910 1.00 0.00 O ATOM 0 H GLY A 59 -5.212 10.323 -6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.616 12.618 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.525 12.213 -5.128 1.00 0.00 H new ATOM 428 N ALA A 60 -1.896 12.108 -5.033 1.00 0.00 N ATOM 429 CA ALA A 60 -0.496 12.448 -4.813 1.00 0.00 C ATOM 430 C ALA A 60 0.321 11.188 -4.512 1.00 0.00 C ATOM 431 O ALA A 60 1.292 11.243 -3.756 1.00 0.00 O ATOM 432 CB ALA A 60 -0.400 13.485 -3.689 1.00 0.00 C ATOM 0 H ALA A 60 -2.273 11.496 -4.309 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.073 12.888 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.646 13.743 -3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.954 14.380 -3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.824 13.070 -2.774 1.00 0.00 H new ATOM 433 N MET A 61 -0.051 10.062 -5.126 1.00 0.00 N ATOM 434 CA MET A 61 0.632 8.788 -4.998 1.00 0.00 C ATOM 435 C MET A 61 1.007 8.273 -6.387 1.00 0.00 C ATOM 436 O MET A 61 0.109 7.969 -7.173 1.00 0.00 O ATOM 437 CB MET A 61 -0.269 7.779 -4.285 1.00 0.00 C ATOM 438 CG MET A 61 0.363 6.387 -4.352 1.00 0.00 C ATOM 439 SD MET A 61 -0.094 5.246 -3.032 1.00 0.00 S ATOM 440 CE MET A 61 0.197 3.664 -3.844 1.00 0.00 C ATOM 0 H MET A 61 -0.862 10.019 -5.743 1.00 0.00 H new ATOM 0 HA MET A 61 1.538 8.920 -4.407 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.411 8.075 -3.246 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.255 7.764 -4.750 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.095 5.934 -5.306 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.447 6.501 -4.347 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.188 2.858 -3.219 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.311 3.651 -4.808 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.267 3.525 -3.996 1.00 0.00 H new ATOM 441 N PRO A 62 2.305 8.130 -6.700 1.00 0.00 N ATOM 442 CA PRO A 62 2.732 7.651 -7.999 1.00 0.00 C ATOM 443 C PRO A 62 2.315 6.195 -8.211 1.00 0.00 C ATOM 444 O PRO A 62 2.298 5.398 -7.273 1.00 0.00 O ATOM 445 CB PRO A 62 4.252 7.811 -8.017 1.00 0.00 C ATOM 446 CG PRO A 62 4.642 7.723 -6.544 1.00 0.00 C ATOM 447 CD PRO A 62 3.455 8.385 -5.846 1.00 0.00 C ATOM 0 HA PRO A 62 2.268 8.213 -8.810 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.730 7.028 -8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.549 8.764 -8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.778 6.691 -6.221 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.576 8.246 -6.340 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.304 7.968 -4.850 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.621 9.455 -5.721 1.00 0.00 H new ATOM 448 N ALA A 63 2.008 5.868 -9.465 1.00 0.00 N ATOM 449 CA ALA A 63 1.669 4.530 -9.920 1.00 0.00 C ATOM 450 C ALA A 63 2.893 3.613 -9.830 1.00 0.00 C ATOM 451 O ALA A 63 4.029 4.099 -9.892 1.00 0.00 O ATOM 452 CB ALA A 63 1.185 4.652 -11.366 1.00 0.00 C ATOM 0 H ALA A 63 1.989 6.557 -10.217 1.00 0.00 H new ATOM 0 HA ALA A 63 0.890 4.093 -9.296 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.920 3.665 -11.745 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.311 5.302 -11.403 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.979 5.076 -11.981 1.00 0.00 H new ATOM 453 N TRP A 64 2.685 2.302 -9.674 1.00 0.00 N ATOM 454 CA TRP A 64 3.760 1.315 -9.648 1.00 0.00 C ATOM 455 C TRP A 64 3.583 0.229 -10.710 1.00 0.00 C ATOM 456 O TRP A 64 4.382 -0.710 -10.766 1.00 0.00 O ATOM 457 CB TRP A 64 3.922 0.764 -8.233 1.00 0.00 C ATOM 458 CG TRP A 64 4.324 1.805 -7.236 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.511 2.616 -6.521 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.677 2.228 -6.923 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.274 3.494 -5.777 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.623 3.296 -5.984 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.945 1.826 -7.377 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.784 3.916 -5.497 1.00 0.00 C ATOM 465 CZ3 TRP A 64 8.116 2.432 -6.893 1.00 0.00 C ATOM 466 CH2 TRP A 64 8.039 3.463 -5.939 1.00 0.00 C ATOM 0 H TRP A 64 1.756 1.896 -9.562 1.00 0.00 H new ATOM 0 HA TRP A 64 4.694 1.809 -9.916 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.982 0.311 -7.917 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.670 -0.029 -8.242 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.432 2.582 -6.531 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.888 4.201 -5.152 1.00 0.00 H new ATOM 0 HE3 TRP A 64 7.020 1.037 -8.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.714 4.731 -4.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 9.080 2.105 -7.255 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.943 3.906 -5.547 1.00 0.00 H new ATOM 467 N ASP A 65 2.583 0.391 -11.582 1.00 0.00 N ATOM 468 CA ASP A 65 2.366 -0.390 -12.772 1.00 0.00 C ATOM 469 C ASP A 65 3.679 -0.593 -13.531 1.00 0.00 C ATOM 470 O ASP A 65 4.367 0.361 -13.888 1.00 0.00 O ATOM 471 CB ASP A 65 1.317 0.329 -13.628 1.00 0.00 C ATOM 472 CG ASP A 65 1.804 1.654 -14.209 1.00 0.00 C ATOM 473 OD1 ASP A 65 2.157 2.534 -13.394 1.00 0.00 O ATOM 474 OD2 ASP A 65 1.790 1.769 -15.453 1.00 0.00 O ATOM 0 H ASP A 65 1.873 1.113 -11.457 1.00 0.00 H new ATOM 0 HA ASP A 65 1.999 -1.384 -12.514 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.015 -0.327 -14.445 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.430 0.512 -13.022 1.00 0.00 H new ATOM 475 N GLY A 66 4.089 -1.850 -13.706 1.00 0.00 N ATOM 476 CA GLY A 66 5.290 -2.206 -14.454 1.00 0.00 C ATOM 477 C GLY A 66 6.594 -1.908 -13.703 1.00 0.00 C ATOM 478 O GLY A 66 7.559 -2.658 -13.832 1.00 0.00 O ATOM 0 H GLY A 66 3.590 -2.655 -13.328 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.255 -3.268 -14.696 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.293 -1.663 -15.399 1.00 0.00 H new ATOM 479 N ARG A 67 6.651 -0.813 -12.937 1.00 0.00 N ATOM 480 CA ARG A 67 7.795 -0.457 -12.113 1.00 0.00 C ATOM 481 C ARG A 67 8.102 -1.585 -11.129 1.00 0.00 C ATOM 482 O ARG A 67 9.271 -1.883 -10.897 1.00 0.00 O ATOM 483 CB ARG A 67 7.526 0.856 -11.364 1.00 0.00 C ATOM 484 CG ARG A 67 7.325 2.041 -12.320 1.00 0.00 C ATOM 485 CD ARG A 67 6.904 3.302 -11.557 1.00 0.00 C ATOM 486 NE ARG A 67 7.941 3.762 -10.622 1.00 0.00 N ATOM 487 CZ ARG A 67 7.728 4.437 -9.478 1.00 0.00 C ATOM 488 NH1 ARG A 67 6.492 4.709 -9.043 1.00 0.00 N ATOM 489 NH2 ARG A 67 8.780 4.847 -8.760 1.00 0.00 N ATOM 0 H ARG A 67 5.885 -0.142 -12.876 1.00 0.00 H new ATOM 0 HA ARG A 67 8.662 -0.311 -12.757 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.640 0.741 -10.740 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.361 1.068 -10.696 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.249 2.234 -12.864 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.565 1.790 -13.060 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.681 4.097 -12.269 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.985 3.101 -11.006 1.00 0.00 H new ATOM 0 HE ARG A 67 8.909 3.550 -10.862 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.682 4.403 -9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.359 5.223 -8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.727 4.647 -9.082 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.635 5.360 -7.890 1.00 0.00 H new ATOM 490 N LEU A 68 7.056 -2.190 -10.556 1.00 0.00 N ATOM 491 CA LEU A 68 7.164 -3.419 -9.776 1.00 0.00 C ATOM 492 C LEU A 68 6.580 -4.575 -10.602 1.00 0.00 C ATOM 493 O LEU A 68 5.685 -4.346 -11.419 1.00 0.00 O ATOM 494 CB LEU A 68 6.415 -3.254 -8.445 1.00 0.00 C ATOM 495 CG LEU A 68 6.898 -2.079 -7.577 1.00 0.00 C ATOM 496 CD1 LEU A 68 5.981 -1.937 -6.358 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.341 -2.232 -7.090 1.00 0.00 C ATOM 0 H LEU A 68 6.103 -1.833 -10.624 1.00 0.00 H new ATOM 0 HA LEU A 68 8.207 -3.637 -9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.354 -3.121 -8.655 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.513 -4.176 -7.872 1.00 0.00 H new ATOM 0 HG LEU A 68 6.863 -1.192 -8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.321 -1.105 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.960 -1.748 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.008 -2.857 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.614 -1.368 -6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.428 -3.138 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.009 -2.299 -7.948 1.00 0.00 H new ATOM 498 N ASP A 69 7.074 -5.802 -10.397 1.00 0.00 N ATOM 499 CA ASP A 69 6.543 -7.006 -11.044 1.00 0.00 C ATOM 500 C ASP A 69 5.202 -7.399 -10.424 1.00 0.00 C ATOM 501 O ASP A 69 4.777 -6.852 -9.415 1.00 0.00 O ATOM 502 CB ASP A 69 7.561 -8.154 -10.957 1.00 0.00 C ATOM 503 CG ASP A 69 7.259 -9.355 -11.840 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.410 -10.163 -11.400 1.00 0.00 O ATOM 505 OD2 ASP A 69 7.834 -9.423 -12.945 1.00 0.00 O ATOM 0 H ASP A 69 7.859 -5.988 -9.773 1.00 0.00 H new ATOM 0 HA ASP A 69 6.371 -6.792 -12.099 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.545 -7.767 -11.222 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.619 -8.490 -9.922 1.00 0.00 H new ATOM 506 N GLU A 70 4.542 -8.382 -11.017 1.00 0.00 N ATOM 507 CA GLU A 70 3.234 -8.868 -10.606 1.00 0.00 C ATOM 508 C GLU A 70 3.321 -9.451 -9.192 1.00 0.00 C ATOM 509 O GLU A 70 2.545 -9.093 -8.304 1.00 0.00 O ATOM 510 CB GLU A 70 2.750 -9.904 -11.634 1.00 0.00 C ATOM 511 CG GLU A 70 1.292 -10.325 -11.409 1.00 0.00 C ATOM 512 CD GLU A 70 0.833 -11.310 -12.477 1.00 0.00 C ATOM 513 OE1 GLU A 70 1.217 -12.493 -12.360 1.00 0.00 O ATOM 514 OE2 GLU A 70 0.111 -10.861 -13.393 1.00 0.00 O ATOM 0 H GLU A 70 4.915 -8.880 -11.825 1.00 0.00 H new ATOM 0 HA GLU A 70 2.510 -8.054 -10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.854 -9.490 -12.637 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.390 -10.785 -11.585 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.190 -10.779 -10.423 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.650 -9.444 -11.422 1.00 0.00 H new ATOM 515 N ASP A 71 4.293 -10.342 -8.983 1.00 0.00 N ATOM 516 CA ASP A 71 4.478 -11.039 -7.712 1.00 0.00 C ATOM 517 C ASP A 71 4.812 -10.010 -6.630 1.00 0.00 C ATOM 518 O ASP A 71 4.227 -9.974 -5.549 1.00 0.00 O ATOM 519 CB ASP A 71 5.595 -12.078 -7.883 1.00 0.00 C ATOM 520 CG ASP A 71 5.589 -13.159 -6.813 1.00 0.00 C ATOM 521 OD1 ASP A 71 5.331 -12.866 -5.623 1.00 0.00 O ATOM 522 OD2 ASP A 71 5.834 -14.333 -7.166 1.00 0.00 O ATOM 0 H ASP A 71 4.976 -10.600 -9.695 1.00 0.00 H new ATOM 0 HA ASP A 71 3.571 -11.562 -7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.497 -12.547 -8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.559 -11.569 -7.868 1.00 0.00 H new ATOM 523 N GLU A 72 5.737 -9.120 -6.983 1.00 0.00 N ATOM 524 CA GLU A 72 6.208 -8.010 -6.190 1.00 0.00 C ATOM 525 C GLU A 72 5.037 -7.132 -5.722 1.00 0.00 C ATOM 526 O GLU A 72 4.788 -7.011 -4.521 1.00 0.00 O ATOM 527 CB GLU A 72 7.215 -7.284 -7.085 1.00 0.00 C ATOM 528 CG GLU A 72 8.026 -6.262 -6.334 1.00 0.00 C ATOM 529 CD GLU A 72 9.114 -5.643 -7.200 1.00 0.00 C ATOM 530 OE1 GLU A 72 8.946 -5.697 -8.438 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.087 -5.131 -6.608 1.00 0.00 O ATOM 0 H GLU A 72 6.201 -9.167 -7.890 1.00 0.00 H new ATOM 0 HA GLU A 72 6.689 -8.319 -5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.886 -8.014 -7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.683 -6.793 -7.900 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.366 -5.476 -5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.481 -6.731 -5.462 1.00 0.00 H new ATOM 532 N ILE A 73 4.294 -6.556 -6.674 1.00 0.00 N ATOM 533 CA ILE A 73 3.051 -5.815 -6.444 1.00 0.00 C ATOM 534 C ILE A 73 2.165 -6.588 -5.464 1.00 0.00 C ATOM 535 O ILE A 73 1.763 -6.078 -4.416 1.00 0.00 O ATOM 536 CB ILE A 73 2.298 -5.600 -7.779 1.00 0.00 C ATOM 537 CG1 ILE A 73 2.971 -4.604 -8.732 1.00 0.00 C ATOM 538 CG2 ILE A 73 0.848 -5.166 -7.560 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.690 -3.127 -8.440 1.00 0.00 C ATOM 0 H ILE A 73 4.552 -6.595 -7.660 1.00 0.00 H new ATOM 0 HA ILE A 73 3.294 -4.841 -6.020 1.00 0.00 H new ATOM 0 HB ILE A 73 2.326 -6.581 -8.254 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.048 -4.765 -8.698 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.647 -4.824 -9.749 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.360 -5.027 -8.525 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.320 -5.933 -6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.829 -4.228 -7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.211 -2.506 -9.169 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.618 -2.941 -8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.041 -2.881 -7.438 1.00 0.00 H new ATOM 540 N ALA A 74 1.840 -7.831 -5.818 1.00 0.00 N ATOM 541 CA ALA A 74 0.978 -8.665 -4.993 1.00 0.00 C ATOM 542 C ALA A 74 1.536 -8.812 -3.572 1.00 0.00 C ATOM 543 O ALA A 74 0.773 -8.825 -2.605 1.00 0.00 O ATOM 544 CB ALA A 74 0.764 -10.023 -5.662 1.00 0.00 C ATOM 0 H ALA A 74 2.164 -8.280 -6.674 1.00 0.00 H new ATOM 0 HA ALA A 74 0.008 -8.176 -4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.118 -10.639 -5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.296 -9.879 -6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.725 -10.520 -5.791 1.00 0.00 H new ATOM 545 N GLY A 75 2.862 -8.900 -3.432 1.00 0.00 N ATOM 546 CA GLY A 75 3.518 -9.093 -2.157 1.00 0.00 C ATOM 547 C GLY A 75 3.364 -7.835 -1.328 1.00 0.00 C ATOM 548 O GLY A 75 2.971 -7.898 -0.167 1.00 0.00 O ATOM 0 H GLY A 75 3.509 -8.837 -4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.082 -9.944 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.574 -9.318 -2.307 1.00 0.00 H new ATOM 549 N VAL A 76 3.653 -6.677 -1.924 1.00 0.00 N ATOM 550 CA VAL A 76 3.551 -5.413 -1.216 1.00 0.00 C ATOM 551 C VAL A 76 2.107 -5.177 -0.766 1.00 0.00 C ATOM 552 O VAL A 76 1.876 -4.799 0.384 1.00 0.00 O ATOM 553 CB VAL A 76 4.191 -4.276 -2.034 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.233 -3.446 -2.894 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.868 -3.281 -1.083 1.00 0.00 C ATOM 0 H VAL A 76 3.958 -6.595 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 76 4.133 -5.441 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 76 4.875 -4.792 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.794 -2.676 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.737 -4.095 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.486 -2.975 -2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.321 -2.476 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.125 -2.865 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.639 -3.794 -0.509 1.00 0.00 H new ATOM 556 N ALA A 77 1.130 -5.455 -1.640 1.00 0.00 N ATOM 557 CA ALA A 77 -0.268 -5.396 -1.245 1.00 0.00 C ATOM 558 C ALA A 77 -0.557 -6.330 -0.066 1.00 0.00 C ATOM 559 O ALA A 77 -1.046 -5.879 0.969 1.00 0.00 O ATOM 560 CB ALA A 77 -1.158 -5.718 -2.440 1.00 0.00 C ATOM 0 H ALA A 77 1.287 -5.719 -2.613 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.490 -4.383 -0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.204 -5.672 -2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.978 -4.993 -3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.929 -6.719 -2.805 1.00 0.00 H new ATOM 561 N ALA A 78 -0.259 -7.626 -0.211 1.00 0.00 N ATOM 562 CA ALA A 78 -0.472 -8.615 0.842 1.00 0.00 C ATOM 563 C ALA A 78 0.164 -8.182 2.167 1.00 0.00 C ATOM 564 O ALA A 78 -0.459 -8.275 3.221 1.00 0.00 O ATOM 565 CB ALA A 78 0.067 -9.976 0.389 1.00 0.00 C ATOM 0 H ALA A 78 0.138 -8.016 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.544 -8.699 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.094 -10.712 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.455 -10.292 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.134 -9.894 0.181 1.00 0.00 H new ATOM 566 N TYR A 79 1.403 -7.696 2.117 1.00 0.00 N ATOM 567 CA TYR A 79 2.135 -7.212 3.274 1.00 0.00 C ATOM 568 C TYR A 79 1.399 -6.063 3.946 1.00 0.00 C ATOM 569 O TYR A 79 1.104 -6.141 5.133 1.00 0.00 O ATOM 570 CB TYR A 79 3.524 -6.757 2.824 1.00 0.00 C ATOM 571 CG TYR A 79 4.330 -6.044 3.889 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.774 -6.750 5.021 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.488 -4.646 3.827 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.352 -6.055 6.099 1.00 0.00 C ATOM 575 CE2 TYR A 79 5.063 -3.955 4.904 1.00 0.00 C ATOM 576 CZ TYR A 79 5.500 -4.662 6.035 1.00 0.00 C ATOM 577 OH TYR A 79 5.989 -3.985 7.112 1.00 0.00 O ATOM 0 H TYR A 79 1.933 -7.629 1.248 1.00 0.00 H new ATOM 0 HA TYR A 79 2.224 -8.019 4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.085 -7.628 2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.414 -6.094 1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.671 -7.824 5.063 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.166 -4.105 2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.681 -6.594 6.975 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.169 -2.881 4.863 1.00 0.00 H new ATOM 0 HH TYR A 79 6.030 -3.028 6.906 1.00 0.00 H new ATOM 578 N VAL A 80 1.111 -4.994 3.203 1.00 0.00 N ATOM 579 CA VAL A 80 0.317 -3.883 3.695 1.00 0.00 C ATOM 580 C VAL A 80 -0.974 -4.415 4.332 1.00 0.00 C ATOM 581 O VAL A 80 -1.346 -3.981 5.421 1.00 0.00 O ATOM 582 CB VAL A 80 0.074 -2.925 2.522 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.109 -2.010 2.796 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.323 -2.074 2.269 1.00 0.00 C ATOM 0 H VAL A 80 1.426 -4.880 2.240 1.00 0.00 H new ATOM 0 HA VAL A 80 0.832 -3.328 4.479 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.147 -3.527 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.257 -1.342 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.006 -2.610 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.913 -1.420 3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.139 -1.398 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.555 -1.494 3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.164 -2.725 2.030 1.00 0.00 H new ATOM 585 N TYR A 81 -1.645 -5.363 3.673 1.00 0.00 N ATOM 586 CA TYR A 81 -2.864 -5.963 4.190 1.00 0.00 C ATOM 587 C TYR A 81 -2.621 -6.611 5.556 1.00 0.00 C ATOM 588 O TYR A 81 -3.333 -6.307 6.506 1.00 0.00 O ATOM 589 CB TYR A 81 -3.437 -6.963 3.180 1.00 0.00 C ATOM 590 CG TYR A 81 -4.926 -7.189 3.323 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.818 -6.303 2.698 1.00 0.00 C ATOM 592 CD2 TYR A 81 -5.425 -8.294 4.039 1.00 0.00 C ATOM 593 CE1 TYR A 81 -7.199 -6.531 2.761 1.00 0.00 C ATOM 594 CE2 TYR A 81 -6.812 -8.518 4.105 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.701 -7.637 3.465 1.00 0.00 C ATOM 596 OH TYR A 81 -9.046 -7.842 3.566 1.00 0.00 O ATOM 0 H TYR A 81 -1.354 -5.732 2.768 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.604 -5.176 4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.228 -6.607 2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.921 -7.917 3.294 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.438 -5.443 2.167 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.744 -8.968 4.537 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.879 -5.854 2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.195 -9.369 4.649 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.523 -7.052 3.235 1.00 0.00 H new ATOM 597 N ASP A 82 -1.619 -7.487 5.666 1.00 0.00 N ATOM 598 CA ASP A 82 -1.262 -8.159 6.915 1.00 0.00 C ATOM 599 C ASP A 82 -0.944 -7.150 8.027 1.00 0.00 C ATOM 600 O ASP A 82 -1.444 -7.233 9.156 1.00 0.00 O ATOM 601 CB ASP A 82 -0.024 -9.042 6.703 1.00 0.00 C ATOM 602 CG ASP A 82 0.366 -9.627 8.050 1.00 0.00 C ATOM 603 OD1 ASP A 82 -0.470 -10.296 8.691 1.00 0.00 O ATOM 604 OD2 ASP A 82 1.393 -9.199 8.612 1.00 0.00 O ATOM 0 H ASP A 82 -1.026 -7.752 4.879 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.119 -8.763 7.213 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.240 -9.837 5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.797 -8.456 6.289 1.00 0.00 H new ATOM 605 N GLN A 83 -0.038 -6.238 7.684 1.00 0.00 N ATOM 606 CA GLN A 83 0.507 -5.171 8.497 1.00 0.00 C ATOM 607 C GLN A 83 -0.640 -4.333 9.081 1.00 0.00 C ATOM 608 O GLN A 83 -0.725 -4.152 10.297 1.00 0.00 O ATOM 609 CB GLN A 83 1.494 -4.419 7.589 1.00 0.00 C ATOM 610 CG GLN A 83 2.200 -3.230 8.192 1.00 0.00 C ATOM 611 CD GLN A 83 3.024 -3.521 9.429 1.00 0.00 C ATOM 612 OE1 GLN A 83 2.586 -3.218 10.523 1.00 0.00 O ATOM 613 NE2 GLN A 83 4.226 -4.063 9.288 1.00 0.00 N ATOM 0 H GLN A 83 0.364 -6.232 6.747 1.00 0.00 H new ATOM 0 HA GLN A 83 1.055 -5.510 9.376 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.250 -5.127 7.249 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.953 -4.081 6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.853 -2.795 7.435 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.455 -2.475 8.442 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.569 -4.308 8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.807 -4.235 10.108 1.00 0.00 H new ATOM 614 N ALA A 84 -1.555 -3.874 8.221 1.00 0.00 N ATOM 615 CA ALA A 84 -2.740 -3.123 8.614 1.00 0.00 C ATOM 616 C ALA A 84 -3.713 -3.989 9.423 1.00 0.00 C ATOM 617 O ALA A 84 -4.086 -3.617 10.531 1.00 0.00 O ATOM 618 CB ALA A 84 -3.417 -2.539 7.368 1.00 0.00 C ATOM 0 H ALA A 84 -1.486 -4.020 7.214 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.432 -2.304 9.264 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.303 -1.978 7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.722 -1.875 6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.708 -3.349 6.699 1.00 0.00 H new ATOM 619 N ALA A 85 -4.124 -5.142 8.881 1.00 0.00 N ATOM 620 CA ALA A 85 -5.094 -6.049 9.496 1.00 0.00 C ATOM 621 C ALA A 85 -4.702 -6.370 10.933 1.00 0.00 C ATOM 622 O ALA A 85 -5.519 -6.293 11.847 1.00 0.00 O ATOM 623 CB ALA A 85 -5.188 -7.363 8.710 1.00 0.00 C ATOM 0 H ALA A 85 -3.781 -5.476 7.980 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.061 -5.545 9.484 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.915 -8.021 9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.503 -7.154 7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.213 -7.850 8.697 1.00 0.00 H new ATOM 624 N GLY A 86 -3.436 -6.744 11.118 1.00 0.00 N ATOM 625 CA GLY A 86 -2.901 -7.108 12.415 1.00 0.00 C ATOM 626 C GLY A 86 -2.705 -5.907 13.342 1.00 0.00 C ATOM 627 O GLY A 86 -2.359 -6.108 14.502 1.00 0.00 O ATOM 0 H GLY A 86 -2.754 -6.801 10.362 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.573 -7.821 12.892 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.945 -7.614 12.278 1.00 0.00 H new ATOM 628 N ASN A 87 -2.846 -4.679 12.828 1.00 0.00 N ATOM 629 CA ASN A 87 -2.318 -3.465 13.436 1.00 0.00 C ATOM 630 C ASN A 87 -0.908 -3.719 13.968 1.00 0.00 C ATOM 631 O ASN A 87 -0.644 -3.588 15.162 1.00 0.00 O ATOM 632 CB ASN A 87 -3.268 -2.884 14.495 1.00 0.00 C ATOM 633 CG ASN A 87 -2.930 -1.418 14.776 1.00 0.00 C ATOM 634 OD1 ASN A 87 -3.712 -0.532 14.444 1.00 0.00 O ATOM 635 ND2 ASN A 87 -1.761 -1.137 15.342 1.00 0.00 N ATOM 0 H ASN A 87 -3.344 -4.504 11.955 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.246 -2.695 12.668 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.299 -2.965 14.150 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.193 -3.463 15.415 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.496 -0.166 15.510 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.129 -1.892 15.609 1.00 0.00 H new ATOM 636 N LYS A 88 0.001 -4.091 13.067 1.00 0.00 N ATOM 637 CA LYS A 88 1.413 -4.151 13.395 1.00 0.00 C ATOM 638 C LYS A 88 2.056 -2.757 13.258 1.00 0.00 C ATOM 639 O LYS A 88 3.197 -2.592 13.689 1.00 0.00 O ATOM 640 CB LYS A 88 2.103 -5.233 12.544 1.00 0.00 C ATOM 641 CG LYS A 88 2.080 -6.647 13.151 1.00 0.00 C ATOM 642 CD LYS A 88 0.833 -7.475 12.800 1.00 0.00 C ATOM 643 CE LYS A 88 0.943 -8.009 11.359 1.00 0.00 C ATOM 644 NZ LYS A 88 -0.153 -8.891 10.911 1.00 0.00 N ATOM 0 H LYS A 88 -0.221 -4.354 12.107 1.00 0.00 H new ATOM 0 HA LYS A 88 1.543 -4.443 14.437 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.624 -5.266 11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.140 -4.940 12.381 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.965 -7.187 12.814 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.151 -6.564 14.235 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.730 -8.306 13.498 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.062 -6.861 12.902 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.998 -7.158 10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.883 -8.553 11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.236 -9.662 10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.637 -9.291 11.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.832 -8.342 10.346 1.00 0.00 H new ATOM 645 N TRP A 89 1.351 -1.771 12.675 1.00 0.00 N ATOM 646 CA TRP A 89 1.804 -0.385 12.664 1.00 0.00 C ATOM 647 C TRP A 89 1.925 0.133 14.101 1.00 0.00 C ATOM 648 O TRP A 89 0.966 -0.105 14.873 1.00 0.00 O ATOM 649 CB TRP A 89 0.801 0.512 11.926 1.00 0.00 C ATOM 650 CG TRP A 89 0.477 0.219 10.492 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.775 0.187 9.989 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.369 0.017 9.351 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.722 -0.008 8.629 1.00 0.00 N ATOM 654 CE2 TRP A 89 0.571 -0.098 8.170 1.00 0.00 C ATOM 655 CE3 TRP A 89 2.763 -0.137 9.189 1.00 0.00 C ATOM 656 CZ2 TRP A 89 1.127 -0.308 6.895 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.320 -0.389 7.924 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.522 -0.378 6.767 1.00 0.00 C ATOM 659 OXT TRP A 89 2.939 0.808 14.382 1.00 0.00 O ATOM 0 H TRP A 89 0.459 -1.920 12.204 1.00 0.00 H new ATOM 0 HA TRP A 89 2.769 -0.355 12.158 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.134 0.488 12.485 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.176 1.534 11.976 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.681 0.298 10.567 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.545 -0.078 8.031 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.411 -0.060 10.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 0.490 -0.414 6.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.377 -0.594 7.839 1.00 0.00 H new ATOM 0 HH2 TRP A 89 2.978 -0.423 5.789 1.00 0.00 H new