USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 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 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 63 HIS : no HD1:sc= -0.484 K(o=-0.48,f=-2.1!) USER MOD Set 2.2: A 72 ASN : amide:sc= 0 K(o=-0.48,f=-2.1) USER MOD Set 3.1: A 37 LYS NZ :NH3+ 141:sc= 0.503 (180deg=0) USER MOD Set 3.2: A 48 ASN : amide:sc= -0.218 K(o=0.29,f=-2.1) USER MOD Set 4.1: A 11 CYS SG : rot 161:sc= -4.57! USER MOD Set 4.2: A 17 HIS : no HE2:sc= 0.826 K(o=-3.7,f=-17!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc=-0.00227 (180deg=-0.25) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -117:sc= 0.412 (180deg=0.33) USER MOD Single : A 4 LYS NZ :NH3+ 139:sc= 1.81 (180deg=-0.172) USER MOD Single : A 9 CYS SG : rot 160:sc= -0.0726 USER MOD Single : A 13 MET CE :methyl -115:sc= -0.0475 (180deg=-1.37!) USER MOD Single : A 18 THR OG1 : rot -24:sc= -0.0305 USER MOD Single : A 20 MET CE :methyl 135:sc= -1.54! (180deg=-1.9!) USER MOD Single : A 23 GLN : amide:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 34 TYR OH : rot -165:sc= -1.08 USER MOD Single : A 40 THR OG1 : rot -120:sc= -1.32 USER MOD Single : A 41 GLN : amide:sc= -3.9! C(o=-3.9!,f=-8.1!) USER MOD Single : A 47 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.0027) USER MOD Single : A 51 THR OG1 : rot -61:sc= 0.879 USER MOD Single : A 53 GLN : amide:sc= 0.128 X(o=0.13,f=-0.15) USER MOD Single : A 59 THR OG1 : rot -130:sc= 0.0142 USER MOD Single : A 64 SER OG : rot 93:sc= -1.73 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.00716 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0827 USER MOD Single : A 91 ASN : amide:sc= -0.797 X(o=-0.8,f=-0.71) USER MOD Single : A 97 LYS NZ :NH3+ -126:sc= 1.54 (180deg=0.761) USER MOD Single : A 102 MET CE :methyl -176:sc= -1.18 (180deg=-1.29) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.796 K(o=-0.8,f=-3.8!) USER MOD Single : A 108 GLN :FLIP amide:sc= -0.724 F(o=-1.5,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.937 1.756 -0.124 1.00 0.00 N ATOM 2 CA MET A 1 3.701 0.329 0.207 1.00 0.00 C ATOM 3 C MET A 1 4.575 -0.572 -0.680 1.00 0.00 C ATOM 4 O MET A 1 5.112 -1.585 -0.213 1.00 0.00 O ATOM 5 CB MET A 1 2.196 -0.018 0.057 1.00 0.00 C ATOM 6 CG MET A 1 1.273 0.784 0.986 1.00 0.00 C ATOM 7 SD MET A 1 -0.472 0.390 0.739 1.00 0.00 S ATOM 8 CE MET A 1 -1.257 1.545 1.862 1.00 0.00 C ATOM 0 H1 MET A 1 3.519 2.357 0.614 1.00 0.00 H new ATOM 0 H2 MET A 1 4.960 1.935 -0.178 1.00 0.00 H new ATOM 0 H3 MET A 1 3.498 1.977 -1.040 1.00 0.00 H new ATOM 0 HA MET A 1 3.981 0.153 1.246 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.895 0.157 -0.976 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.058 -1.081 0.254 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.544 0.584 2.023 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.429 1.849 0.816 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.339 1.418 1.817 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.911 1.356 2.878 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.999 2.564 1.574 1.00 0.00 H new ATOM 18 N SER A 2 4.699 -0.201 -1.970 1.00 0.00 N ATOM 19 CA SER A 2 5.638 -0.844 -2.896 1.00 0.00 C ATOM 20 C SER A 2 7.053 -0.325 -2.590 1.00 0.00 C ATOM 21 O SER A 2 7.438 0.764 -3.028 1.00 0.00 O ATOM 22 CB SER A 2 5.248 -0.572 -4.370 1.00 0.00 C ATOM 23 OG SER A 2 6.114 -1.239 -5.278 1.00 0.00 O ATOM 0 H SER A 2 4.152 0.549 -2.392 1.00 0.00 H new ATOM 0 HA SER A 2 5.606 -1.925 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.222 -0.898 -4.540 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.277 0.501 -4.561 1.00 0.00 H new ATOM 0 HG SER A 2 5.836 -1.045 -6.198 1.00 0.00 H new ATOM 29 N LYS A 3 7.782 -1.090 -1.763 1.00 0.00 N ATOM 30 CA LYS A 3 9.162 -0.773 -1.348 1.00 0.00 C ATOM 31 C LYS A 3 10.170 -1.636 -2.134 1.00 0.00 C ATOM 32 O LYS A 3 9.788 -2.489 -2.965 1.00 0.00 O ATOM 33 CB LYS A 3 9.340 -0.928 0.215 1.00 0.00 C ATOM 34 CG LYS A 3 8.279 -1.775 0.951 1.00 0.00 C ATOM 35 CD LYS A 3 8.562 -1.879 2.475 1.00 0.00 C ATOM 36 CE LYS A 3 7.659 -2.908 3.181 1.00 0.00 C ATOM 37 NZ LYS A 3 8.091 -3.152 4.585 1.00 0.00 N ATOM 0 H LYS A 3 7.428 -1.956 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 3 9.364 0.272 -1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.319 -1.368 0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.348 0.068 0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.294 -1.335 0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.253 -2.776 0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.606 -2.153 2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.418 -0.901 2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.629 -2.552 3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.676 -3.847 2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.381 -4.145 4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.893 -2.531 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.301 -2.951 5.231 1.00 0.00 H new ATOM 51 N LYS A 4 11.460 -1.417 -1.855 1.00 0.00 N ATOM 52 CA LYS A 4 12.548 -2.089 -2.581 1.00 0.00 C ATOM 53 C LYS A 4 13.699 -2.397 -1.598 1.00 0.00 C ATOM 54 O LYS A 4 14.012 -1.597 -0.718 1.00 0.00 O ATOM 55 CB LYS A 4 12.994 -1.173 -3.783 1.00 0.00 C ATOM 56 CG LYS A 4 13.525 -1.893 -5.053 1.00 0.00 C ATOM 57 CD LYS A 4 14.887 -2.581 -4.853 1.00 0.00 C ATOM 58 CE LYS A 4 15.375 -3.337 -6.102 1.00 0.00 C ATOM 59 NZ LYS A 4 15.413 -2.484 -7.315 1.00 0.00 N ATOM 0 H LYS A 4 11.779 -0.776 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 4 12.221 -3.041 -2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.144 -0.555 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.771 -0.498 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.795 -2.638 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.610 -1.167 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.628 -1.831 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.815 -3.279 -4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.372 -3.736 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.720 -4.189 -6.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.275 -2.692 -7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.577 -2.679 -7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.414 -1.482 -7.035 1.00 0.00 H new ATOM 73 N LEU A 5 14.305 -3.576 -1.756 1.00 0.00 N ATOM 74 CA LEU A 5 15.460 -4.023 -0.971 1.00 0.00 C ATOM 75 C LEU A 5 16.544 -4.422 -1.951 1.00 0.00 C ATOM 76 O LEU A 5 16.268 -5.058 -2.974 1.00 0.00 O ATOM 77 CB LEU A 5 15.087 -5.220 -0.053 1.00 0.00 C ATOM 78 CG LEU A 5 16.234 -5.830 0.858 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.678 -6.336 2.200 1.00 0.00 C ATOM 80 CD2 LEU A 5 17.006 -6.987 0.176 1.00 0.00 C ATOM 0 H LEU A 5 14.001 -4.261 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 5 15.804 -3.220 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.273 -4.903 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.698 -6.019 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 5 16.930 -5.009 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.491 -6.747 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.214 -5.508 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.934 -7.111 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.776 -7.359 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.314 -7.794 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.472 -6.623 -0.740 1.00 0.00 H new ATOM 92 N ILE A 6 17.768 -4.029 -1.656 1.00 0.00 N ATOM 93 CA ILE A 6 18.938 -4.466 -2.408 1.00 0.00 C ATOM 94 C ILE A 6 19.973 -4.995 -1.415 1.00 0.00 C ATOM 95 O ILE A 6 19.889 -4.720 -0.209 1.00 0.00 O ATOM 96 CB ILE A 6 19.543 -3.319 -3.299 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.249 -2.228 -2.446 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.461 -2.689 -4.211 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.843 -1.097 -3.254 1.00 0.00 C ATOM 0 H ILE A 6 17.984 -3.396 -0.886 1.00 0.00 H new ATOM 0 HA ILE A 6 18.639 -5.254 -3.099 1.00 0.00 H new ATOM 0 HB ILE A 6 20.302 -3.777 -3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.531 -1.815 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 6 21.041 -2.696 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.909 -1.900 -4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.046 -3.455 -4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.666 -2.268 -3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.316 -0.380 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.588 -1.495 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.054 -0.600 -3.819 1.00 0.00 H new ATOM 111 N ALA A 7 20.926 -5.767 -1.919 1.00 0.00 N ATOM 112 CA ALA A 7 22.030 -6.286 -1.109 1.00 0.00 C ATOM 113 C ALA A 7 23.285 -6.409 -1.963 1.00 0.00 C ATOM 114 O ALA A 7 23.233 -6.305 -3.191 1.00 0.00 O ATOM 115 CB ALA A 7 21.654 -7.628 -0.450 1.00 0.00 C ATOM 0 H ALA A 7 20.960 -6.053 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 7 22.235 -5.584 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.493 -7.989 0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.786 -7.486 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.416 -8.359 -1.223 1.00 0.00 H new ATOM 121 N LEU A 8 24.411 -6.631 -1.298 1.00 0.00 N ATOM 122 CA LEU A 8 25.709 -6.773 -1.942 1.00 0.00 C ATOM 123 C LEU A 8 26.431 -7.913 -1.239 1.00 0.00 C ATOM 124 O LEU A 8 26.749 -7.813 -0.053 1.00 0.00 O ATOM 125 CB LEU A 8 26.516 -5.439 -1.864 1.00 0.00 C ATOM 126 CG LEU A 8 27.640 -5.215 -2.939 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.241 -3.802 -2.813 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.760 -6.285 -2.880 1.00 0.00 C ATOM 0 H LEU A 8 24.448 -6.719 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 8 25.598 -6.998 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.809 -4.612 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.976 -5.380 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 8 27.159 -5.317 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.017 -3.668 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.458 -3.059 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.674 -3.678 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.505 -6.074 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.233 -6.263 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.330 -7.272 -3.053 1.00 0.00 H new ATOM 140 N CYS A 9 26.666 -8.996 -1.978 1.00 0.00 N ATOM 141 CA CYS A 9 27.383 -10.162 -1.480 1.00 0.00 C ATOM 142 C CYS A 9 28.789 -10.190 -2.106 1.00 0.00 C ATOM 143 O CYS A 9 28.922 -10.465 -3.285 1.00 0.00 O ATOM 144 CB CYS A 9 26.570 -11.435 -1.803 1.00 0.00 C ATOM 145 SG CYS A 9 24.910 -11.441 -1.078 1.00 0.00 S ATOM 0 H CYS A 9 26.360 -9.087 -2.947 1.00 0.00 H new ATOM 0 HA CYS A 9 27.502 -10.115 -0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.485 -11.536 -2.885 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.117 -12.306 -1.443 1.00 0.00 H new ATOM 0 HG CYS A 9 24.161 -12.291 -1.715 1.00 0.00 H new ATOM 151 N ALA A 10 29.832 -9.887 -1.301 1.00 0.00 N ATOM 152 CA ALA A 10 31.239 -9.819 -1.786 1.00 0.00 C ATOM 153 C ALA A 10 32.157 -10.723 -0.941 1.00 0.00 C ATOM 154 O ALA A 10 32.231 -10.576 0.287 1.00 0.00 O ATOM 155 CB ALA A 10 31.756 -8.365 -1.793 1.00 0.00 C ATOM 0 H ALA A 10 29.730 -9.684 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 10 31.255 -10.185 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.785 -8.347 -2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.132 -7.760 -2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.717 -7.960 -0.782 1.00 0.00 H new ATOM 161 N CYS A 11 32.847 -11.666 -1.610 1.00 0.00 N ATOM 162 CA CYS A 11 33.801 -12.593 -0.968 1.00 0.00 C ATOM 163 C CYS A 11 35.043 -12.812 -1.853 1.00 0.00 C ATOM 164 O CYS A 11 34.935 -12.834 -3.084 1.00 0.00 O ATOM 165 CB CYS A 11 33.126 -13.949 -0.605 1.00 0.00 C ATOM 166 SG CYS A 11 32.359 -13.933 1.027 1.00 0.00 S ATOM 0 H CYS A 11 32.759 -11.808 -2.616 1.00 0.00 H new ATOM 0 HA CYS A 11 34.129 -12.131 -0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.370 -14.186 -1.354 1.00 0.00 H new ATOM 0 HB3 CYS A 11 33.872 -14.743 -0.643 1.00 0.00 H new ATOM 0 HG CYS A 11 31.492 -14.898 1.108 1.00 0.00 H new ATOM 172 N PRO A 12 36.247 -13.016 -1.216 1.00 0.00 N ATOM 173 CA PRO A 12 37.527 -13.229 -1.931 1.00 0.00 C ATOM 174 C PRO A 12 37.742 -14.714 -2.316 1.00 0.00 C ATOM 175 O PRO A 12 38.763 -15.077 -2.901 1.00 0.00 O ATOM 176 CB PRO A 12 38.549 -12.744 -0.881 1.00 0.00 C ATOM 177 CG PRO A 12 37.963 -13.182 0.427 1.00 0.00 C ATOM 178 CD PRO A 12 36.453 -13.079 0.269 1.00 0.00 C ATOM 0 HA PRO A 12 37.593 -12.706 -2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.531 -13.187 -1.046 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.677 -11.662 -0.919 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.261 -14.203 0.665 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.314 -12.549 1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.946 -13.939 0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.059 -12.192 0.765 1.00 0.00 H new ATOM 186 N MET A 13 36.750 -15.556 -1.965 1.00 0.00 N ATOM 187 CA MET A 13 36.755 -17.003 -2.240 1.00 0.00 C ATOM 188 C MET A 13 36.146 -17.294 -3.619 1.00 0.00 C ATOM 189 O MET A 13 36.457 -18.317 -4.246 1.00 0.00 O ATOM 190 CB MET A 13 35.961 -17.740 -1.133 1.00 0.00 C ATOM 191 CG MET A 13 36.498 -17.559 0.301 1.00 0.00 C ATOM 192 SD MET A 13 38.065 -18.415 0.642 1.00 0.00 S ATOM 193 CE MET A 13 39.315 -17.245 0.100 1.00 0.00 C ATOM 0 H MET A 13 35.911 -15.244 -1.475 1.00 0.00 H new ATOM 0 HA MET A 13 37.785 -17.361 -2.244 1.00 0.00 H new ATOM 0 HB2 MET A 13 34.927 -17.396 -1.161 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.949 -18.805 -1.366 1.00 0.00 H new ATOM 0 HG2 MET A 13 36.633 -16.494 0.492 1.00 0.00 H new ATOM 0 HG3 MET A 13 35.745 -17.916 1.004 1.00 0.00 H new ATOM 0 HE1 MET A 13 39.861 -17.662 -0.746 1.00 0.00 H new ATOM 0 HE2 MET A 13 38.835 -16.313 -0.201 1.00 0.00 H new ATOM 0 HE3 MET A 13 40.009 -17.049 0.918 1.00 0.00 H new ATOM 203 N GLY A 14 35.267 -16.386 -4.076 1.00 0.00 N ATOM 204 CA GLY A 14 34.605 -16.513 -5.377 1.00 0.00 C ATOM 205 C GLY A 14 33.120 -16.195 -5.316 1.00 0.00 C ATOM 206 O GLY A 14 32.564 -15.960 -4.229 1.00 0.00 O ATOM 0 H GLY A 14 35.000 -15.551 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 14 35.086 -15.844 -6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.739 -17.528 -5.750 1.00 0.00 H new ATOM 210 N LEU A 15 32.462 -16.233 -6.496 1.00 0.00 N ATOM 211 CA LEU A 15 31.025 -15.943 -6.622 1.00 0.00 C ATOM 212 C LEU A 15 30.146 -17.100 -6.120 1.00 0.00 C ATOM 213 O LEU A 15 28.952 -16.906 -5.927 1.00 0.00 O ATOM 214 CB LEU A 15 30.638 -15.558 -8.078 1.00 0.00 C ATOM 215 CG LEU A 15 31.091 -14.140 -8.564 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.633 -13.872 -10.019 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.586 -13.036 -7.605 1.00 0.00 C ATOM 0 H LEU A 15 32.914 -16.465 -7.381 1.00 0.00 H new ATOM 0 HA LEU A 15 30.834 -15.083 -5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.061 -16.302 -8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.554 -15.622 -8.172 1.00 0.00 H new ATOM 0 HG LEU A 15 32.181 -14.117 -8.553 1.00 0.00 H new ATOM 0 HD11 LEU A 15 30.963 -12.880 -10.327 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.068 -14.621 -10.681 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.546 -13.926 -10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 15 30.915 -12.062 -7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.497 -13.059 -7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 15 30.990 -13.208 -6.607 1.00 0.00 H new ATOM 229 N ALA A 16 30.728 -18.290 -5.913 1.00 0.00 N ATOM 230 CA ALA A 16 29.986 -19.447 -5.375 1.00 0.00 C ATOM 231 C ALA A 16 29.413 -19.131 -3.973 1.00 0.00 C ATOM 232 O ALA A 16 28.215 -19.354 -3.699 1.00 0.00 O ATOM 233 CB ALA A 16 30.891 -20.685 -5.345 1.00 0.00 C ATOM 0 H ALA A 16 31.711 -18.480 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 16 29.142 -19.659 -6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 16 30.334 -21.533 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 16 31.227 -20.914 -6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.756 -20.488 -4.711 1.00 0.00 H new ATOM 239 N HIS A 17 30.271 -18.547 -3.112 1.00 0.00 N ATOM 240 CA HIS A 17 29.899 -18.165 -1.734 1.00 0.00 C ATOM 241 C HIS A 17 28.831 -17.051 -1.772 1.00 0.00 C ATOM 242 O HIS A 17 27.818 -17.111 -1.055 1.00 0.00 O ATOM 243 CB HIS A 17 31.162 -17.713 -0.933 1.00 0.00 C ATOM 244 CG HIS A 17 30.979 -17.629 0.570 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.713 -16.787 1.378 1.00 0.00 N ATOM 246 CD2 HIS A 17 30.166 -18.320 1.410 1.00 0.00 C ATOM 247 CE1 HIS A 17 31.349 -16.952 2.634 1.00 0.00 C ATOM 248 NE2 HIS A 17 30.412 -17.874 2.685 1.00 0.00 N ATOM 0 H HIS A 17 31.238 -18.327 -3.351 1.00 0.00 H new ATOM 0 HA HIS A 17 29.476 -19.030 -1.223 1.00 0.00 H new ATOM 0 HB2 HIS A 17 31.975 -18.408 -1.145 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.474 -16.735 -1.300 1.00 0.00 H new ATOM 0 HD1 HIS A 17 32.428 -16.136 1.054 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.455 -19.082 1.127 1.00 0.00 H new ATOM 0 HE1 HIS A 17 31.753 -16.418 3.481 1.00 0.00 H new ATOM 257 N THR A 18 29.059 -16.068 -2.670 1.00 0.00 N ATOM 258 CA THR A 18 28.200 -14.882 -2.813 1.00 0.00 C ATOM 259 C THR A 18 26.788 -15.263 -3.317 1.00 0.00 C ATOM 260 O THR A 18 25.808 -14.652 -2.909 1.00 0.00 O ATOM 261 CB THR A 18 28.834 -13.827 -3.785 1.00 0.00 C ATOM 262 OG1 THR A 18 28.823 -14.308 -5.129 1.00 0.00 O ATOM 263 CG2 THR A 18 30.278 -13.472 -3.403 1.00 0.00 C ATOM 0 H THR A 18 29.848 -16.079 -3.316 1.00 0.00 H new ATOM 0 HA THR A 18 28.112 -14.438 -1.821 1.00 0.00 H new ATOM 0 HB THR A 18 28.223 -12.928 -3.701 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.785 -15.287 -5.126 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.671 -12.738 -4.107 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.296 -13.055 -2.396 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.894 -14.371 -3.434 1.00 0.00 H new ATOM 271 N PHE A 19 26.713 -16.277 -4.210 1.00 0.00 N ATOM 272 CA PHE A 19 25.438 -16.749 -4.804 1.00 0.00 C ATOM 273 C PHE A 19 24.573 -17.476 -3.765 1.00 0.00 C ATOM 274 O PHE A 19 23.347 -17.427 -3.848 1.00 0.00 O ATOM 275 CB PHE A 19 25.672 -17.681 -6.034 1.00 0.00 C ATOM 276 CG PHE A 19 26.204 -17.004 -7.302 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.982 -15.651 -7.556 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.915 -17.740 -8.253 1.00 0.00 C ATOM 279 CE1 PHE A 19 26.450 -15.061 -8.713 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.386 -17.145 -9.411 1.00 0.00 C ATOM 281 CZ PHE A 19 27.154 -15.804 -9.638 1.00 0.00 C ATOM 0 H PHE A 19 27.531 -16.790 -4.539 1.00 0.00 H new ATOM 0 HA PHE A 19 24.911 -15.859 -5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.373 -18.463 -5.743 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.729 -18.172 -6.277 1.00 0.00 H new ATOM 0 HD1 PHE A 19 25.437 -15.057 -6.838 1.00 0.00 H new ATOM 0 HD2 PHE A 19 27.100 -18.790 -8.082 1.00 0.00 H new ATOM 0 HE1 PHE A 19 26.264 -14.013 -8.895 1.00 0.00 H new ATOM 0 HE2 PHE A 19 27.934 -17.729 -10.135 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.523 -15.336 -10.539 1.00 0.00 H new ATOM 291 N MET A 20 25.213 -18.171 -2.801 1.00 0.00 N ATOM 292 CA MET A 20 24.477 -18.825 -1.690 1.00 0.00 C ATOM 293 C MET A 20 23.832 -17.771 -0.766 1.00 0.00 C ATOM 294 O MET A 20 22.704 -17.952 -0.284 1.00 0.00 O ATOM 295 CB MET A 20 25.404 -19.774 -0.889 1.00 0.00 C ATOM 296 CG MET A 20 25.953 -20.954 -1.709 1.00 0.00 C ATOM 297 SD MET A 20 26.864 -22.162 -0.717 1.00 0.00 S ATOM 298 CE MET A 20 28.156 -21.154 0.012 1.00 0.00 C ATOM 0 H MET A 20 26.225 -18.295 -2.766 1.00 0.00 H new ATOM 0 HA MET A 20 23.679 -19.428 -2.123 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.241 -19.199 -0.494 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.854 -20.165 -0.033 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.124 -21.456 -2.207 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.608 -20.569 -2.490 1.00 0.00 H new ATOM 0 HE1 MET A 20 28.249 -21.392 1.072 1.00 0.00 H new ATOM 0 HE2 MET A 20 29.102 -21.356 -0.490 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.903 -20.100 -0.102 1.00 0.00 H new ATOM 308 N ALA A 21 24.564 -16.660 -0.548 1.00 0.00 N ATOM 309 CA ALA A 21 24.052 -15.488 0.195 1.00 0.00 C ATOM 310 C ALA A 21 22.944 -14.775 -0.597 1.00 0.00 C ATOM 311 O ALA A 21 21.949 -14.344 -0.025 1.00 0.00 O ATOM 312 CB ALA A 21 25.190 -14.512 0.509 1.00 0.00 C ATOM 0 H ALA A 21 25.522 -16.549 -0.880 1.00 0.00 H new ATOM 0 HA ALA A 21 23.627 -15.844 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.795 -13.656 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 21 25.943 -15.014 1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.643 -14.170 -0.421 1.00 0.00 H new ATOM 318 N ALA A 22 23.139 -14.689 -1.923 1.00 0.00 N ATOM 319 CA ALA A 22 22.203 -14.024 -2.844 1.00 0.00 C ATOM 320 C ALA A 22 20.872 -14.781 -2.902 1.00 0.00 C ATOM 321 O ALA A 22 19.810 -14.168 -2.919 1.00 0.00 O ATOM 322 CB ALA A 22 22.819 -13.903 -4.244 1.00 0.00 C ATOM 0 H ALA A 22 23.957 -15.082 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 22 22.008 -13.020 -2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.112 -13.409 -4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.736 -13.317 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.046 -14.897 -4.629 1.00 0.00 H new ATOM 328 N GLN A 23 20.957 -16.120 -2.917 1.00 0.00 N ATOM 329 CA GLN A 23 19.786 -17.010 -2.922 1.00 0.00 C ATOM 330 C GLN A 23 18.963 -16.785 -1.648 1.00 0.00 C ATOM 331 O GLN A 23 17.762 -16.501 -1.708 1.00 0.00 O ATOM 332 CB GLN A 23 20.239 -18.498 -3.020 1.00 0.00 C ATOM 333 CG GLN A 23 19.090 -19.537 -2.971 1.00 0.00 C ATOM 334 CD GLN A 23 18.097 -19.445 -4.136 1.00 0.00 C ATOM 335 OE1 GLN A 23 16.907 -19.737 -3.973 1.00 0.00 O ATOM 336 NE2 GLN A 23 18.572 -19.116 -5.336 1.00 0.00 N ATOM 0 H GLN A 23 21.847 -16.619 -2.926 1.00 0.00 H new ATOM 0 HA GLN A 23 19.167 -16.782 -3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.792 -18.633 -3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 23 20.932 -18.706 -2.204 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.523 -20.537 -2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.545 -19.413 -2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 23 19.558 -18.879 -5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.950 -19.101 -6.144 1.00 0.00 H new ATOM 345 N ALA A 24 19.663 -16.844 -0.512 1.00 0.00 N ATOM 346 CA ALA A 24 19.059 -16.778 0.817 1.00 0.00 C ATOM 347 C ALA A 24 18.378 -15.413 1.092 1.00 0.00 C ATOM 348 O ALA A 24 17.222 -15.372 1.543 1.00 0.00 O ATOM 349 CB ALA A 24 20.133 -17.107 1.865 1.00 0.00 C ATOM 0 H ALA A 24 20.678 -16.940 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 24 18.259 -17.516 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.695 -17.061 2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.522 -18.109 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 24 20.946 -16.384 1.792 1.00 0.00 H new ATOM 355 N LEU A 25 19.101 -14.310 0.806 1.00 0.00 N ATOM 356 CA LEU A 25 18.595 -12.929 0.998 1.00 0.00 C ATOM 357 C LEU A 25 17.427 -12.616 0.052 1.00 0.00 C ATOM 358 O LEU A 25 16.539 -11.831 0.405 1.00 0.00 O ATOM 359 CB LEU A 25 19.715 -11.877 0.780 1.00 0.00 C ATOM 360 CG LEU A 25 20.877 -11.875 1.813 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.935 -10.819 1.432 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.361 -11.658 3.259 1.00 0.00 C ATOM 0 H LEU A 25 20.051 -14.348 0.436 1.00 0.00 H new ATOM 0 HA LEU A 25 18.244 -12.872 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.140 -12.032 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.258 -10.887 0.779 1.00 0.00 H new ATOM 0 HG LEU A 25 21.348 -12.858 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.741 -10.831 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.338 -11.048 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.474 -9.831 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.203 -11.663 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.846 -10.699 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.670 -12.459 3.523 1.00 0.00 H new ATOM 374 N GLU A 26 17.461 -13.208 -1.159 1.00 0.00 N ATOM 375 CA GLU A 26 16.398 -13.021 -2.158 1.00 0.00 C ATOM 376 C GLU A 26 15.081 -13.596 -1.635 1.00 0.00 C ATOM 377 O GLU A 26 14.080 -12.881 -1.573 1.00 0.00 O ATOM 378 CB GLU A 26 16.786 -13.655 -3.523 1.00 0.00 C ATOM 379 CG GLU A 26 15.729 -13.494 -4.641 1.00 0.00 C ATOM 380 CD GLU A 26 16.254 -13.869 -6.032 1.00 0.00 C ATOM 381 OE1 GLU A 26 16.852 -13.002 -6.704 1.00 0.00 O ATOM 382 OE2 GLU A 26 16.090 -15.030 -6.457 1.00 0.00 O ATOM 0 H GLU A 26 18.217 -13.820 -1.466 1.00 0.00 H new ATOM 0 HA GLU A 26 16.267 -11.952 -2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.722 -13.209 -3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 26 16.975 -14.718 -3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.865 -14.116 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.383 -12.461 -4.658 1.00 0.00 H new ATOM 389 N GLU A 27 15.132 -14.870 -1.193 1.00 0.00 N ATOM 390 CA GLU A 27 13.964 -15.591 -0.638 1.00 0.00 C ATOM 391 C GLU A 27 13.334 -14.792 0.517 1.00 0.00 C ATOM 392 O GLU A 27 12.134 -14.533 0.519 1.00 0.00 O ATOM 393 CB GLU A 27 14.390 -16.999 -0.139 1.00 0.00 C ATOM 394 CG GLU A 27 14.951 -17.918 -1.237 1.00 0.00 C ATOM 395 CD GLU A 27 15.449 -19.265 -0.694 1.00 0.00 C ATOM 396 OE1 GLU A 27 16.620 -19.354 -0.268 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.666 -20.235 -0.674 1.00 0.00 O ATOM 0 H GLU A 27 15.985 -15.430 -1.210 1.00 0.00 H new ATOM 0 HA GLU A 27 13.222 -15.704 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.143 -16.883 0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.529 -17.485 0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.177 -18.097 -1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.772 -17.411 -1.744 1.00 0.00 H new ATOM 404 N ALA A 28 14.203 -14.351 1.440 1.00 0.00 N ATOM 405 CA ALA A 28 13.827 -13.601 2.655 1.00 0.00 C ATOM 406 C ALA A 28 13.108 -12.278 2.317 1.00 0.00 C ATOM 407 O ALA A 28 12.059 -11.950 2.892 1.00 0.00 O ATOM 408 CB ALA A 28 15.093 -13.328 3.476 1.00 0.00 C ATOM 0 H ALA A 28 15.208 -14.508 1.364 1.00 0.00 H new ATOM 0 HA ALA A 28 13.126 -14.203 3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.830 -12.774 4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.557 -14.274 3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.793 -12.741 2.881 1.00 0.00 H new ATOM 414 N ALA A 29 13.700 -11.536 1.375 1.00 0.00 N ATOM 415 CA ALA A 29 13.161 -10.250 0.890 1.00 0.00 C ATOM 416 C ALA A 29 11.837 -10.411 0.107 1.00 0.00 C ATOM 417 O ALA A 29 10.996 -9.501 0.099 1.00 0.00 O ATOM 418 CB ALA A 29 14.214 -9.547 0.036 1.00 0.00 C ATOM 0 H ALA A 29 14.572 -11.808 0.922 1.00 0.00 H new ATOM 0 HA ALA A 29 12.926 -9.640 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.817 -8.597 -0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.106 -9.364 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.472 -10.177 -0.815 1.00 0.00 H new ATOM 424 N VAL A 30 11.646 -11.577 -0.533 1.00 0.00 N ATOM 425 CA VAL A 30 10.410 -11.880 -1.289 1.00 0.00 C ATOM 426 C VAL A 30 9.249 -12.115 -0.304 1.00 0.00 C ATOM 427 O VAL A 30 8.116 -11.668 -0.534 1.00 0.00 O ATOM 428 CB VAL A 30 10.621 -13.122 -2.242 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.285 -13.677 -2.802 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.582 -12.752 -3.397 1.00 0.00 C ATOM 0 H VAL A 30 12.333 -12.331 -0.544 1.00 0.00 H new ATOM 0 HA VAL A 30 10.161 -11.029 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 30 11.066 -13.916 -1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.488 -14.529 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.648 -13.993 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.779 -12.899 -3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.719 -13.616 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.159 -11.929 -3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.545 -12.450 -2.986 1.00 0.00 H new ATOM 440 N GLU A 31 9.583 -12.774 0.808 1.00 0.00 N ATOM 441 CA GLU A 31 8.663 -13.048 1.926 1.00 0.00 C ATOM 442 C GLU A 31 8.270 -11.747 2.662 1.00 0.00 C ATOM 443 O GLU A 31 7.206 -11.672 3.281 1.00 0.00 O ATOM 444 CB GLU A 31 9.353 -14.046 2.887 1.00 0.00 C ATOM 445 CG GLU A 31 9.713 -15.391 2.217 1.00 0.00 C ATOM 446 CD GLU A 31 8.514 -16.342 2.077 1.00 0.00 C ATOM 447 OE1 GLU A 31 8.217 -17.084 3.036 1.00 0.00 O ATOM 448 OE2 GLU A 31 7.861 -16.344 1.014 1.00 0.00 O ATOM 0 H GLU A 31 10.521 -13.142 0.964 1.00 0.00 H new ATOM 0 HA GLU A 31 7.739 -13.482 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.261 -13.590 3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.696 -14.235 3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.130 -15.196 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.491 -15.883 2.801 1.00 0.00 H new ATOM 455 N ALA A 32 9.148 -10.731 2.571 1.00 0.00 N ATOM 456 CA ALA A 32 8.923 -9.396 3.156 1.00 0.00 C ATOM 457 C ALA A 32 8.018 -8.515 2.263 1.00 0.00 C ATOM 458 O ALA A 32 7.607 -7.417 2.668 1.00 0.00 O ATOM 459 CB ALA A 32 10.265 -8.731 3.421 1.00 0.00 C ATOM 0 H ALA A 32 10.041 -10.814 2.085 1.00 0.00 H new ATOM 0 HA ALA A 32 8.392 -9.516 4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.103 -7.744 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.842 -9.341 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.813 -8.631 2.484 1.00 0.00 H new ATOM 465 N GLY A 33 7.743 -8.998 1.036 1.00 0.00 N ATOM 466 CA GLY A 33 6.681 -8.440 0.183 1.00 0.00 C ATOM 467 C GLY A 33 7.125 -7.355 -0.789 1.00 0.00 C ATOM 468 O GLY A 33 6.286 -6.802 -1.505 1.00 0.00 O ATOM 0 H GLY A 33 8.246 -9.778 0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.232 -9.253 -0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.900 -8.032 0.825 1.00 0.00 H new ATOM 472 N TYR A 34 8.428 -7.047 -0.827 1.00 0.00 N ATOM 473 CA TYR A 34 8.989 -6.008 -1.735 1.00 0.00 C ATOM 474 C TYR A 34 9.918 -6.618 -2.791 1.00 0.00 C ATOM 475 O TYR A 34 10.135 -7.840 -2.803 1.00 0.00 O ATOM 476 CB TYR A 34 9.699 -4.887 -0.934 1.00 0.00 C ATOM 477 CG TYR A 34 10.573 -5.323 0.252 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.485 -6.369 0.167 1.00 0.00 C ATOM 479 CD2 TYR A 34 10.484 -4.656 1.462 1.00 0.00 C ATOM 480 CE1 TYR A 34 12.247 -6.725 1.251 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.247 -5.008 2.533 1.00 0.00 C ATOM 482 CZ TYR A 34 12.123 -6.038 2.429 1.00 0.00 C ATOM 483 OH TYR A 34 12.867 -6.405 3.523 1.00 0.00 O ATOM 0 H TYR A 34 9.127 -7.500 -0.239 1.00 0.00 H new ATOM 0 HA TYR A 34 8.153 -5.555 -2.267 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.324 -4.321 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.937 -4.203 -0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.595 -6.907 -0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.790 -3.834 1.559 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.944 -7.546 1.175 1.00 0.00 H new ATOM 0 HE2 TYR A 34 11.155 -4.468 3.464 1.00 0.00 H new ATOM 0 HH TYR A 34 12.494 -5.988 4.327 1.00 0.00 H new ATOM 493 N GLU A 35 10.451 -5.749 -3.677 1.00 0.00 N ATOM 494 CA GLU A 35 11.393 -6.171 -4.727 1.00 0.00 C ATOM 495 C GLU A 35 12.781 -6.407 -4.103 1.00 0.00 C ATOM 496 O GLU A 35 13.105 -5.817 -3.067 1.00 0.00 O ATOM 497 CB GLU A 35 11.470 -5.103 -5.864 1.00 0.00 C ATOM 498 CG GLU A 35 12.272 -5.559 -7.110 1.00 0.00 C ATOM 499 CD GLU A 35 12.230 -4.571 -8.292 1.00 0.00 C ATOM 500 OE1 GLU A 35 12.775 -3.458 -8.169 1.00 0.00 O ATOM 501 OE2 GLU A 35 11.668 -4.911 -9.357 1.00 0.00 O ATOM 0 H GLU A 35 10.242 -4.751 -3.683 1.00 0.00 H new ATOM 0 HA GLU A 35 11.039 -7.101 -5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.457 -4.843 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.924 -4.196 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.311 -5.716 -6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.885 -6.522 -7.443 1.00 0.00 H new ATOM 508 N VAL A 36 13.587 -7.275 -4.733 1.00 0.00 N ATOM 509 CA VAL A 36 14.954 -7.580 -4.276 1.00 0.00 C ATOM 510 C VAL A 36 15.921 -7.620 -5.474 1.00 0.00 C ATOM 511 O VAL A 36 15.570 -8.118 -6.554 1.00 0.00 O ATOM 512 CB VAL A 36 15.005 -8.928 -3.464 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.488 -10.127 -4.291 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.428 -9.189 -2.892 1.00 0.00 C ATOM 0 H VAL A 36 13.311 -7.785 -5.572 1.00 0.00 H new ATOM 0 HA VAL A 36 15.269 -6.784 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 36 14.326 -8.820 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.542 -11.034 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.454 -9.948 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.103 -10.246 -5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.431 -10.127 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.144 -9.251 -3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.708 -8.373 -2.226 1.00 0.00 H new ATOM 524 N LYS A 37 17.123 -7.050 -5.280 1.00 0.00 N ATOM 525 CA LYS A 37 18.206 -7.082 -6.273 1.00 0.00 C ATOM 526 C LYS A 37 19.554 -7.135 -5.536 1.00 0.00 C ATOM 527 O LYS A 37 19.846 -6.261 -4.728 1.00 0.00 O ATOM 528 CB LYS A 37 18.152 -5.834 -7.177 1.00 0.00 C ATOM 529 CG LYS A 37 19.129 -5.884 -8.377 1.00 0.00 C ATOM 530 CD LYS A 37 18.620 -6.735 -9.548 1.00 0.00 C ATOM 531 CE LYS A 37 19.664 -6.834 -10.666 1.00 0.00 C ATOM 532 NZ LYS A 37 19.120 -7.498 -11.878 1.00 0.00 N ATOM 0 H LYS A 37 17.370 -6.552 -4.425 1.00 0.00 H new ATOM 0 HA LYS A 37 18.090 -7.964 -6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.136 -5.714 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.375 -4.953 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.311 -4.869 -8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.086 -6.281 -8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.371 -7.735 -9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.702 -6.300 -9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.013 -5.835 -10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.530 -7.390 -10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.483 -7.021 -12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.414 -8.496 -11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.082 -7.443 -11.867 1.00 0.00 H new ATOM 546 N ILE A 38 20.364 -8.164 -5.796 1.00 0.00 N ATOM 547 CA ILE A 38 21.622 -8.410 -5.055 1.00 0.00 C ATOM 548 C ILE A 38 22.842 -8.458 -5.998 1.00 0.00 C ATOM 549 O ILE A 38 22.963 -9.380 -6.801 1.00 0.00 O ATOM 550 CB ILE A 38 21.491 -9.761 -4.274 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.245 -9.707 -3.321 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.791 -10.109 -3.486 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.736 -11.046 -2.866 1.00 0.00 C ATOM 0 H ILE A 38 20.175 -8.854 -6.523 1.00 0.00 H new ATOM 0 HA ILE A 38 21.783 -7.586 -4.360 1.00 0.00 H new ATOM 0 HB ILE A 38 21.345 -10.560 -5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.503 -9.116 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.438 -9.183 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.655 -11.054 -2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.625 -10.198 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 38 23.002 -9.319 -2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.875 -10.905 -2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.441 -11.637 -3.733 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.523 -11.569 -2.322 1.00 0.00 H new ATOM 565 N GLU A 39 23.740 -7.462 -5.872 1.00 0.00 N ATOM 566 CA GLU A 39 25.015 -7.411 -6.614 1.00 0.00 C ATOM 567 C GLU A 39 26.057 -8.299 -5.914 1.00 0.00 C ATOM 568 O GLU A 39 26.528 -7.984 -4.819 1.00 0.00 O ATOM 569 CB GLU A 39 25.510 -5.940 -6.709 1.00 0.00 C ATOM 570 CG GLU A 39 26.878 -5.733 -7.415 1.00 0.00 C ATOM 571 CD GLU A 39 27.237 -4.252 -7.698 1.00 0.00 C ATOM 572 OE1 GLU A 39 26.332 -3.387 -7.695 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.421 -3.956 -7.975 1.00 0.00 O ATOM 0 H GLU A 39 23.601 -6.666 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 39 24.866 -7.788 -7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.757 -5.356 -7.238 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.578 -5.533 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.662 -6.172 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.872 -6.279 -8.358 1.00 0.00 H new ATOM 580 N THR A 40 26.364 -9.441 -6.531 1.00 0.00 N ATOM 581 CA THR A 40 27.395 -10.356 -6.053 1.00 0.00 C ATOM 582 C THR A 40 28.761 -9.974 -6.650 1.00 0.00 C ATOM 583 O THR A 40 28.984 -10.128 -7.853 1.00 0.00 O ATOM 584 CB THR A 40 27.024 -11.820 -6.422 1.00 0.00 C ATOM 585 OG1 THR A 40 26.666 -11.902 -7.802 1.00 0.00 O ATOM 586 CG2 THR A 40 25.867 -12.351 -5.569 1.00 0.00 C ATOM 0 H THR A 40 25.899 -9.757 -7.382 1.00 0.00 H new ATOM 0 HA THR A 40 27.461 -10.280 -4.968 1.00 0.00 H new ATOM 0 HB THR A 40 27.902 -12.435 -6.225 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.746 -12.230 -7.882 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.641 -13.377 -5.860 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.150 -12.327 -4.517 1.00 0.00 H new ATOM 0 HG23 THR A 40 24.986 -11.728 -5.722 1.00 0.00 H new ATOM 594 N GLN A 41 29.656 -9.446 -5.806 1.00 0.00 N ATOM 595 CA GLN A 41 31.018 -9.063 -6.203 1.00 0.00 C ATOM 596 C GLN A 41 32.054 -10.088 -5.723 1.00 0.00 C ATOM 597 O GLN A 41 31.828 -10.842 -4.770 1.00 0.00 O ATOM 598 CB GLN A 41 31.363 -7.657 -5.658 1.00 0.00 C ATOM 599 CG GLN A 41 30.516 -6.532 -6.277 1.00 0.00 C ATOM 600 CD GLN A 41 31.033 -5.141 -5.938 1.00 0.00 C ATOM 601 OE1 GLN A 41 30.592 -4.485 -5.000 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.032 -4.709 -6.667 1.00 0.00 N ATOM 0 H GLN A 41 29.455 -9.271 -4.821 1.00 0.00 H new ATOM 0 HA GLN A 41 31.051 -9.040 -7.292 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.225 -7.652 -4.577 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.417 -7.452 -5.846 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.498 -6.653 -7.360 1.00 0.00 H new ATOM 0 HG3 GLN A 41 29.487 -6.626 -5.929 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.380 -5.274 -7.442 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.462 -3.808 -6.460 1.00 0.00 H new ATOM 611 N GLY A 42 33.178 -10.114 -6.437 1.00 0.00 N ATOM 612 CA GLY A 42 34.348 -10.889 -6.061 1.00 0.00 C ATOM 613 C GLY A 42 35.443 -10.732 -7.100 1.00 0.00 C ATOM 614 O GLY A 42 35.194 -10.205 -8.194 1.00 0.00 O ATOM 0 H GLY A 42 33.298 -9.589 -7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.712 -10.561 -5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 42 34.079 -11.941 -5.963 1.00 0.00 H new ATOM 618 N ALA A 43 36.665 -11.184 -6.770 1.00 0.00 N ATOM 619 CA ALA A 43 37.787 -11.217 -7.738 1.00 0.00 C ATOM 620 C ALA A 43 37.498 -12.247 -8.856 1.00 0.00 C ATOM 621 O ALA A 43 38.103 -12.201 -9.927 1.00 0.00 O ATOM 622 CB ALA A 43 39.113 -11.524 -7.023 1.00 0.00 C ATOM 0 H ALA A 43 36.906 -11.532 -5.842 1.00 0.00 H new ATOM 0 HA ALA A 43 37.882 -10.234 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.923 -11.544 -7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 43 39.312 -10.753 -6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 43 39.045 -12.494 -6.530 1.00 0.00 H new ATOM 628 N ASP A 44 36.569 -13.174 -8.563 1.00 0.00 N ATOM 629 CA ASP A 44 36.006 -14.129 -9.534 1.00 0.00 C ATOM 630 C ASP A 44 35.208 -13.390 -10.634 1.00 0.00 C ATOM 631 O ASP A 44 35.298 -13.730 -11.818 1.00 0.00 O ATOM 632 CB ASP A 44 35.096 -15.130 -8.774 1.00 0.00 C ATOM 633 CG ASP A 44 34.559 -16.282 -9.648 1.00 0.00 C ATOM 634 OD1 ASP A 44 35.350 -17.172 -10.007 1.00 0.00 O ATOM 635 OD2 ASP A 44 33.350 -16.322 -9.953 1.00 0.00 O ATOM 0 H ASP A 44 36.181 -13.282 -7.626 1.00 0.00 H new ATOM 0 HA ASP A 44 36.815 -14.669 -10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 44 35.656 -15.552 -7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 44 34.252 -14.587 -8.349 1.00 0.00 H new ATOM 640 N GLY A 45 34.448 -12.367 -10.207 1.00 0.00 N ATOM 641 CA GLY A 45 33.632 -11.552 -11.110 1.00 0.00 C ATOM 642 C GLY A 45 32.564 -10.763 -10.365 1.00 0.00 C ATOM 643 O GLY A 45 32.509 -10.794 -9.132 1.00 0.00 O ATOM 0 H GLY A 45 34.385 -12.086 -9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.276 -10.863 -11.656 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.156 -12.197 -11.849 1.00 0.00 H new ATOM 647 N ILE A 46 31.723 -10.040 -11.117 1.00 0.00 N ATOM 648 CA ILE A 46 30.573 -9.277 -10.574 1.00 0.00 C ATOM 649 C ILE A 46 29.309 -9.647 -11.375 1.00 0.00 C ATOM 650 O ILE A 46 29.337 -9.677 -12.608 1.00 0.00 O ATOM 651 CB ILE A 46 30.840 -7.721 -10.621 1.00 0.00 C ATOM 652 CG1 ILE A 46 32.092 -7.368 -9.740 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.588 -6.905 -10.167 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.656 -5.981 -9.932 1.00 0.00 C ATOM 0 H ILE A 46 31.816 -9.963 -12.130 1.00 0.00 H new ATOM 0 HA ILE A 46 30.431 -9.541 -9.526 1.00 0.00 H new ATOM 0 HB ILE A 46 31.044 -7.442 -11.655 1.00 0.00 H new ATOM 0 HG12 ILE A 46 31.821 -7.488 -8.691 1.00 0.00 H new ATOM 0 HG13 ILE A 46 32.878 -8.093 -9.951 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.812 -5.839 -10.213 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.749 -7.129 -10.826 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.328 -7.177 -9.144 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.516 -5.844 -9.276 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.967 -5.855 -10.969 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.893 -5.241 -9.689 1.00 0.00 H new ATOM 666 N GLN A 47 28.205 -9.905 -10.652 1.00 0.00 N ATOM 667 CA GLN A 47 26.953 -10.434 -11.220 1.00 0.00 C ATOM 668 C GLN A 47 25.736 -9.763 -10.555 1.00 0.00 C ATOM 669 O GLN A 47 25.802 -9.374 -9.387 1.00 0.00 O ATOM 670 CB GLN A 47 26.904 -11.973 -11.008 1.00 0.00 C ATOM 671 CG GLN A 47 25.644 -12.674 -11.565 1.00 0.00 C ATOM 672 CD GLN A 47 25.449 -12.516 -13.079 1.00 0.00 C ATOM 673 OE1 GLN A 47 24.323 -12.391 -13.557 1.00 0.00 O ATOM 674 NE2 GLN A 47 26.526 -12.589 -13.849 1.00 0.00 N ATOM 0 H GLN A 47 28.157 -9.750 -9.645 1.00 0.00 H new ATOM 0 HA GLN A 47 26.921 -10.215 -12.287 1.00 0.00 H new ATOM 0 HB2 GLN A 47 27.783 -12.416 -11.475 1.00 0.00 H new ATOM 0 HB3 GLN A 47 26.973 -12.179 -9.940 1.00 0.00 H new ATOM 0 HG2 GLN A 47 25.699 -13.736 -11.327 1.00 0.00 H new ATOM 0 HG3 GLN A 47 24.766 -12.277 -11.054 1.00 0.00 H new ATOM 0 HE21 GLN A 47 27.449 -12.693 -13.427 1.00 0.00 H new ATOM 0 HE22 GLN A 47 26.432 -12.542 -14.864 1.00 0.00 H new ATOM 683 N ASN A 48 24.639 -9.643 -11.340 1.00 0.00 N ATOM 684 CA ASN A 48 23.331 -9.083 -10.908 1.00 0.00 C ATOM 685 C ASN A 48 23.512 -7.641 -10.371 1.00 0.00 C ATOM 686 O ASN A 48 22.794 -7.196 -9.456 1.00 0.00 O ATOM 687 CB ASN A 48 22.658 -10.020 -9.855 1.00 0.00 C ATOM 688 CG ASN A 48 21.133 -9.914 -9.819 1.00 0.00 C ATOM 689 OD1 ASN A 48 20.478 -9.858 -10.864 1.00 0.00 O ATOM 690 ND2 ASN A 48 20.554 -9.846 -8.620 1.00 0.00 N ATOM 0 H ASN A 48 24.637 -9.940 -12.316 1.00 0.00 H new ATOM 0 HA ASN A 48 22.664 -9.029 -11.769 1.00 0.00 H new ATOM 0 HB2 ASN A 48 22.936 -11.052 -10.070 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.053 -9.783 -8.867 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.542 -9.745 -8.548 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.123 -9.895 -7.775 1.00 0.00 H new ATOM 697 N ARG A 49 24.469 -6.922 -10.998 1.00 0.00 N ATOM 698 CA ARG A 49 24.950 -5.612 -10.557 1.00 0.00 C ATOM 699 C ARG A 49 23.824 -4.569 -10.454 1.00 0.00 C ATOM 700 O ARG A 49 23.007 -4.414 -11.365 1.00 0.00 O ATOM 701 CB ARG A 49 26.102 -5.127 -11.491 1.00 0.00 C ATOM 702 CG ARG A 49 26.420 -3.610 -11.419 1.00 0.00 C ATOM 703 CD ARG A 49 27.796 -3.230 -11.992 1.00 0.00 C ATOM 704 NE ARG A 49 28.853 -3.334 -10.981 1.00 0.00 N ATOM 705 CZ ARG A 49 30.156 -3.388 -11.243 1.00 0.00 C ATOM 706 NH1 ARG A 49 30.608 -3.558 -12.481 1.00 0.00 N ATOM 707 NH2 ARG A 49 31.010 -3.329 -10.254 1.00 0.00 N ATOM 0 H ARG A 49 24.934 -7.252 -11.844 1.00 0.00 H new ATOM 0 HA ARG A 49 25.341 -5.726 -9.546 1.00 0.00 H new ATOM 0 HB2 ARG A 49 27.006 -5.683 -11.244 1.00 0.00 H new ATOM 0 HB3 ARG A 49 25.844 -5.379 -12.520 1.00 0.00 H new ATOM 0 HG2 ARG A 49 25.649 -3.062 -11.960 1.00 0.00 H new ATOM 0 HG3 ARG A 49 26.370 -3.288 -10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 49 28.032 -3.881 -12.833 1.00 0.00 H new ATOM 0 HD3 ARG A 49 27.761 -2.211 -12.378 1.00 0.00 H new ATOM 0 HE ARG A 49 28.567 -3.367 -10.002 1.00 0.00 H new ATOM 0 HH11 ARG A 49 29.951 -3.650 -13.256 1.00 0.00 H new ATOM 0 HH12 ARG A 49 31.612 -3.596 -12.657 1.00 0.00 H new ATOM 0 HH21 ARG A 49 30.674 -3.243 -9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 49 32.012 -3.369 -10.442 1.00 0.00 H new ATOM 721 N LEU A 50 23.822 -3.889 -9.308 1.00 0.00 N ATOM 722 CA LEU A 50 22.905 -2.805 -8.968 1.00 0.00 C ATOM 723 C LEU A 50 23.247 -1.531 -9.751 1.00 0.00 C ATOM 724 O LEU A 50 24.409 -1.286 -10.096 1.00 0.00 O ATOM 725 CB LEU A 50 23.005 -2.558 -7.437 1.00 0.00 C ATOM 726 CG LEU A 50 22.500 -3.740 -6.557 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.060 -3.710 -5.122 1.00 0.00 C ATOM 728 CD2 LEU A 50 20.985 -3.751 -6.540 1.00 0.00 C ATOM 0 H LEU A 50 24.488 -4.088 -8.561 1.00 0.00 H new ATOM 0 HA LEU A 50 21.885 -3.080 -9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.044 -2.351 -7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.431 -1.665 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 50 22.873 -4.660 -7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.670 -4.560 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.148 -3.766 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.759 -2.784 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.634 -4.579 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.619 -2.811 -6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.611 -3.871 -7.557 1.00 0.00 H new ATOM 740 N THR A 51 22.216 -0.738 -10.042 1.00 0.00 N ATOM 741 CA THR A 51 22.367 0.587 -10.660 1.00 0.00 C ATOM 742 C THR A 51 22.176 1.671 -9.589 1.00 0.00 C ATOM 743 O THR A 51 21.818 1.360 -8.444 1.00 0.00 O ATOM 744 CB THR A 51 21.327 0.788 -11.814 1.00 0.00 C ATOM 745 OG1 THR A 51 19.992 0.853 -11.275 1.00 0.00 O ATOM 746 CG2 THR A 51 21.401 -0.346 -12.854 1.00 0.00 C ATOM 0 H THR A 51 21.246 -0.994 -9.856 1.00 0.00 H new ATOM 0 HA THR A 51 23.367 0.663 -11.088 1.00 0.00 H new ATOM 0 HB THR A 51 21.572 1.726 -12.313 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.784 0.014 -10.814 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.664 -0.170 -13.638 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.398 -0.373 -13.293 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.193 -1.299 -12.368 1.00 0.00 H new ATOM 754 N ALA A 52 22.399 2.941 -9.965 1.00 0.00 N ATOM 755 CA ALA A 52 22.120 4.092 -9.088 1.00 0.00 C ATOM 756 C ALA A 52 20.623 4.160 -8.743 1.00 0.00 C ATOM 757 O ALA A 52 20.255 4.582 -7.646 1.00 0.00 O ATOM 758 CB ALA A 52 22.579 5.397 -9.750 1.00 0.00 C ATOM 0 H ALA A 52 22.775 3.198 -10.878 1.00 0.00 H new ATOM 0 HA ALA A 52 22.680 3.960 -8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 52 22.365 6.236 -9.088 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.651 5.350 -9.942 1.00 0.00 H new ATOM 0 HB3 ALA A 52 22.048 5.534 -10.692 1.00 0.00 H new ATOM 764 N GLN A 53 19.782 3.700 -9.695 1.00 0.00 N ATOM 765 CA GLN A 53 18.320 3.655 -9.545 1.00 0.00 C ATOM 766 C GLN A 53 17.915 2.648 -8.446 1.00 0.00 C ATOM 767 O GLN A 53 17.025 2.934 -7.634 1.00 0.00 O ATOM 768 CB GLN A 53 17.654 3.284 -10.891 1.00 0.00 C ATOM 769 CG GLN A 53 16.114 3.365 -10.868 1.00 0.00 C ATOM 770 CD GLN A 53 15.434 2.924 -12.164 1.00 0.00 C ATOM 771 OE1 GLN A 53 15.976 3.070 -13.262 1.00 0.00 O ATOM 772 NE2 GLN A 53 14.233 2.395 -12.040 1.00 0.00 N ATOM 0 H GLN A 53 20.107 3.347 -10.595 1.00 0.00 H new ATOM 0 HA GLN A 53 17.974 4.644 -9.246 1.00 0.00 H new ATOM 0 HB2 GLN A 53 18.032 3.949 -11.668 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.951 2.272 -11.166 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.743 2.747 -10.050 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.821 4.392 -10.650 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.815 2.289 -11.115 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.721 2.091 -12.869 1.00 0.00 H new ATOM 781 N ASP A 54 18.587 1.472 -8.441 1.00 0.00 N ATOM 782 CA ASP A 54 18.394 0.425 -7.408 1.00 0.00 C ATOM 783 C ASP A 54 18.662 0.980 -6.006 1.00 0.00 C ATOM 784 O ASP A 54 17.846 0.810 -5.105 1.00 0.00 O ATOM 785 CB ASP A 54 19.317 -0.796 -7.669 1.00 0.00 C ATOM 786 CG ASP A 54 18.808 -1.699 -8.800 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.912 -2.528 -8.546 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.278 -1.571 -9.944 1.00 0.00 O ATOM 0 H ASP A 54 19.276 1.223 -9.150 1.00 0.00 H new ATOM 0 HA ASP A 54 17.355 0.100 -7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.318 -0.442 -7.916 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.403 -1.382 -6.754 1.00 0.00 H new ATOM 793 N ILE A 55 19.806 1.666 -5.866 1.00 0.00 N ATOM 794 CA ILE A 55 20.292 2.194 -4.568 1.00 0.00 C ATOM 795 C ILE A 55 19.398 3.354 -4.064 1.00 0.00 C ATOM 796 O ILE A 55 19.150 3.489 -2.855 1.00 0.00 O ATOM 797 CB ILE A 55 21.788 2.684 -4.680 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.671 1.628 -5.411 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.388 3.018 -3.291 1.00 0.00 C ATOM 800 CD1 ILE A 55 24.075 2.098 -5.734 1.00 0.00 C ATOM 0 H ILE A 55 20.427 1.875 -6.648 1.00 0.00 H new ATOM 0 HA ILE A 55 20.242 1.378 -3.848 1.00 0.00 H new ATOM 0 HB ILE A 55 21.781 3.600 -5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.734 0.734 -4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.176 1.338 -6.338 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.419 3.352 -3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.803 3.809 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.365 2.129 -2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.618 1.301 -6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.026 2.973 -6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.593 2.359 -4.811 1.00 0.00 H new ATOM 812 N ALA A 56 18.918 4.172 -5.020 1.00 0.00 N ATOM 813 CA ALA A 56 18.081 5.357 -4.744 1.00 0.00 C ATOM 814 C ALA A 56 16.688 4.954 -4.223 1.00 0.00 C ATOM 815 O ALA A 56 16.198 5.511 -3.231 1.00 0.00 O ATOM 816 CB ALA A 56 17.959 6.218 -6.016 1.00 0.00 C ATOM 0 H ALA A 56 19.101 4.029 -6.013 1.00 0.00 H new ATOM 0 HA ALA A 56 18.564 5.943 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.340 7.091 -5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.950 6.543 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.500 5.630 -6.811 1.00 0.00 H new ATOM 822 N GLU A 57 16.062 3.968 -4.898 1.00 0.00 N ATOM 823 CA GLU A 57 14.702 3.487 -4.558 1.00 0.00 C ATOM 824 C GLU A 57 14.740 2.422 -3.447 1.00 0.00 C ATOM 825 O GLU A 57 13.688 2.048 -2.905 1.00 0.00 O ATOM 826 CB GLU A 57 13.988 2.931 -5.818 1.00 0.00 C ATOM 827 CG GLU A 57 13.943 3.922 -6.992 1.00 0.00 C ATOM 828 CD GLU A 57 13.060 3.447 -8.159 1.00 0.00 C ATOM 829 OE1 GLU A 57 13.513 2.596 -8.950 1.00 0.00 O ATOM 830 OE2 GLU A 57 11.909 3.919 -8.282 1.00 0.00 O ATOM 0 H GLU A 57 16.481 3.483 -5.691 1.00 0.00 H new ATOM 0 HA GLU A 57 14.136 4.339 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.496 2.022 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.969 2.650 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.572 4.882 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.957 4.088 -7.357 1.00 0.00 H new ATOM 837 N ALA A 58 15.957 1.936 -3.125 1.00 0.00 N ATOM 838 CA ALA A 58 16.176 0.943 -2.060 1.00 0.00 C ATOM 839 C ALA A 58 15.792 1.520 -0.691 1.00 0.00 C ATOM 840 O ALA A 58 16.469 2.411 -0.168 1.00 0.00 O ATOM 841 CB ALA A 58 17.637 0.458 -2.034 1.00 0.00 C ATOM 0 H ALA A 58 16.814 2.223 -3.598 1.00 0.00 H new ATOM 0 HA ALA A 58 15.536 0.087 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.763 -0.274 -1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.885 -0.002 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.299 1.306 -1.857 1.00 0.00 H new ATOM 847 N THR A 59 14.661 1.043 -0.171 1.00 0.00 N ATOM 848 CA THR A 59 14.221 1.282 1.205 1.00 0.00 C ATOM 849 C THR A 59 15.230 0.652 2.196 1.00 0.00 C ATOM 850 O THR A 59 15.508 1.199 3.273 1.00 0.00 O ATOM 851 CB THR A 59 12.801 0.656 1.407 1.00 0.00 C ATOM 852 OG1 THR A 59 11.952 1.051 0.316 1.00 0.00 O ATOM 853 CG2 THR A 59 12.150 1.066 2.744 1.00 0.00 C ATOM 0 H THR A 59 14.011 0.467 -0.706 1.00 0.00 H new ATOM 0 HA THR A 59 14.171 2.354 1.394 1.00 0.00 H new ATOM 0 HB THR A 59 12.922 -0.427 1.431 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.109 1.404 0.669 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.167 0.602 2.828 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.779 0.736 3.571 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.043 2.150 2.779 1.00 0.00 H new ATOM 861 N ILE A 60 15.780 -0.511 1.793 1.00 0.00 N ATOM 862 CA ILE A 60 16.727 -1.305 2.601 1.00 0.00 C ATOM 863 C ILE A 60 17.948 -1.709 1.743 1.00 0.00 C ATOM 864 O ILE A 60 17.792 -2.034 0.562 1.00 0.00 O ATOM 865 CB ILE A 60 16.017 -2.601 3.149 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.762 -2.243 4.015 1.00 0.00 C ATOM 867 CG2 ILE A 60 17.003 -3.486 3.943 1.00 0.00 C ATOM 868 CD1 ILE A 60 13.933 -3.429 4.480 1.00 0.00 C ATOM 0 H ILE A 60 15.576 -0.930 0.886 1.00 0.00 H new ATOM 0 HA ILE A 60 17.063 -0.697 3.441 1.00 0.00 H new ATOM 0 HB ILE A 60 15.673 -3.173 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.093 -1.686 4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.121 -1.577 3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.484 -4.372 4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.824 -3.789 3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.398 -2.923 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.089 -3.074 5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.564 -3.977 3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.551 -4.088 5.090 1.00 0.00 H new ATOM 880 N ILE A 61 19.163 -1.675 2.351 1.00 0.00 N ATOM 881 CA ILE A 61 20.421 -2.139 1.709 1.00 0.00 C ATOM 882 C ILE A 61 21.220 -2.975 2.722 1.00 0.00 C ATOM 883 O ILE A 61 21.503 -2.488 3.809 1.00 0.00 O ATOM 884 CB ILE A 61 21.338 -0.945 1.235 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.526 0.089 0.398 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.570 -1.476 0.439 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.310 1.282 -0.085 1.00 0.00 C ATOM 0 H ILE A 61 19.297 -1.325 3.300 1.00 0.00 H new ATOM 0 HA ILE A 61 20.139 -2.721 0.832 1.00 0.00 H new ATOM 0 HB ILE A 61 21.709 -0.431 2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.102 -0.421 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.690 0.444 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.188 -0.636 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.157 -2.138 1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.227 -2.025 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.656 1.940 -0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.712 1.824 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.130 0.946 -0.719 1.00 0.00 H new ATOM 899 N ILE A 62 21.590 -4.215 2.364 1.00 0.00 N ATOM 900 CA ILE A 62 22.447 -5.081 3.213 1.00 0.00 C ATOM 901 C ILE A 62 23.813 -5.269 2.513 1.00 0.00 C ATOM 902 O ILE A 62 23.845 -5.631 1.344 1.00 0.00 O ATOM 903 CB ILE A 62 21.808 -6.514 3.478 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.367 -6.440 4.101 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.721 -7.372 4.387 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.236 -6.197 3.121 1.00 0.00 C ATOM 0 H ILE A 62 21.310 -4.650 1.485 1.00 0.00 H new ATOM 0 HA ILE A 62 22.554 -4.587 4.179 1.00 0.00 H new ATOM 0 HB ILE A 62 21.719 -6.985 2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.171 -7.374 4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.354 -5.644 4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.259 -8.346 4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.690 -7.506 3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.857 -6.869 5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.289 -6.165 3.659 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.395 -5.248 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.210 -7.004 2.389 1.00 0.00 H new ATOM 918 N HIS A 63 24.938 -5.010 3.213 1.00 0.00 N ATOM 919 CA HIS A 63 26.289 -5.368 2.708 1.00 0.00 C ATOM 920 C HIS A 63 26.743 -6.662 3.372 1.00 0.00 C ATOM 921 O HIS A 63 27.385 -6.661 4.422 1.00 0.00 O ATOM 922 CB HIS A 63 27.326 -4.219 2.891 1.00 0.00 C ATOM 923 CG HIS A 63 27.398 -3.264 1.724 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.513 -2.502 1.493 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.488 -3.011 0.749 1.00 0.00 C ATOM 926 CE1 HIS A 63 28.264 -1.817 0.400 1.00 0.00 C ATOM 927 NE2 HIS A 63 27.051 -2.093 -0.090 1.00 0.00 N ATOM 0 H HIS A 63 24.942 -4.556 4.126 1.00 0.00 H new ATOM 0 HA HIS A 63 26.224 -5.523 1.631 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.076 -3.658 3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.312 -4.656 3.051 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.506 -3.452 0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.954 -1.117 -0.048 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.628 -1.695 -0.928 1.00 0.00 H new ATOM 935 N SER A 64 26.332 -7.766 2.755 1.00 0.00 N ATOM 936 CA SER A 64 26.703 -9.118 3.146 1.00 0.00 C ATOM 937 C SER A 64 28.083 -9.440 2.586 1.00 0.00 C ATOM 938 O SER A 64 28.214 -10.030 1.511 1.00 0.00 O ATOM 939 CB SER A 64 25.654 -10.078 2.589 1.00 0.00 C ATOM 940 OG SER A 64 24.367 -9.685 2.992 1.00 0.00 O ATOM 0 H SER A 64 25.713 -7.741 1.945 1.00 0.00 H new ATOM 0 HA SER A 64 26.742 -9.214 4.231 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.711 -10.097 1.501 1.00 0.00 H new ATOM 0 HB3 SER A 64 25.857 -11.091 2.937 1.00 0.00 H new ATOM 0 HG SER A 64 23.972 -9.107 2.307 1.00 0.00 H new ATOM 946 N VAL A 65 29.127 -8.989 3.276 1.00 0.00 N ATOM 947 CA VAL A 65 30.495 -9.065 2.751 1.00 0.00 C ATOM 948 C VAL A 65 31.451 -9.716 3.758 1.00 0.00 C ATOM 949 O VAL A 65 31.158 -9.831 4.948 1.00 0.00 O ATOM 950 CB VAL A 65 31.001 -7.635 2.324 1.00 0.00 C ATOM 951 CG1 VAL A 65 30.116 -7.041 1.191 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.070 -6.669 3.539 1.00 0.00 C ATOM 0 H VAL A 65 29.056 -8.566 4.201 1.00 0.00 H new ATOM 0 HA VAL A 65 30.481 -9.701 1.866 1.00 0.00 H new ATOM 0 HB VAL A 65 32.013 -7.750 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.489 -6.054 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.151 -7.696 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 65 29.087 -6.956 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.423 -5.692 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.078 -6.566 3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.758 -7.070 4.284 1.00 0.00 H new ATOM 962 N ALA A 66 32.566 -10.199 3.225 1.00 0.00 N ATOM 963 CA ALA A 66 33.698 -10.721 4.002 1.00 0.00 C ATOM 964 C ALA A 66 34.886 -9.755 3.866 1.00 0.00 C ATOM 965 O ALA A 66 35.769 -9.699 4.729 1.00 0.00 O ATOM 966 CB ALA A 66 34.066 -12.121 3.489 1.00 0.00 C ATOM 0 H ALA A 66 32.718 -10.243 2.217 1.00 0.00 H new ATOM 0 HA ALA A 66 33.430 -10.801 5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.906 -12.510 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.210 -12.786 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.344 -12.062 2.437 1.00 0.00 H new ATOM 972 N VAL A 67 34.882 -9.011 2.743 1.00 0.00 N ATOM 973 CA VAL A 67 35.911 -8.033 2.363 1.00 0.00 C ATOM 974 C VAL A 67 35.219 -6.760 1.838 1.00 0.00 C ATOM 975 O VAL A 67 34.026 -6.793 1.517 1.00 0.00 O ATOM 976 CB VAL A 67 36.872 -8.622 1.259 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.787 -9.725 1.852 1.00 0.00 C ATOM 978 CG2 VAL A 67 36.064 -9.149 0.030 1.00 0.00 C ATOM 0 H VAL A 67 34.134 -9.080 2.053 1.00 0.00 H new ATOM 0 HA VAL A 67 36.516 -7.795 3.238 1.00 0.00 H new ATOM 0 HB VAL A 67 37.513 -7.815 0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.440 -10.115 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.393 -9.303 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.172 -10.533 2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.753 -9.549 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 67 35.382 -9.936 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 67 35.492 -8.331 -0.408 1.00 0.00 H new ATOM 988 N THR A 68 35.975 -5.657 1.751 1.00 0.00 N ATOM 989 CA THR A 68 35.454 -4.363 1.281 1.00 0.00 C ATOM 990 C THR A 68 35.116 -4.437 -0.228 1.00 0.00 C ATOM 991 O THR A 68 36.029 -4.614 -1.043 1.00 0.00 O ATOM 992 CB THR A 68 36.485 -3.218 1.550 1.00 0.00 C ATOM 993 OG1 THR A 68 36.735 -3.124 2.964 1.00 0.00 O ATOM 994 CG2 THR A 68 36.002 -1.848 1.014 1.00 0.00 C ATOM 0 H THR A 68 36.963 -5.635 2.004 1.00 0.00 H new ATOM 0 HA THR A 68 34.543 -4.140 1.835 1.00 0.00 H new ATOM 0 HB THR A 68 37.402 -3.469 1.016 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.382 -2.408 3.135 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.754 -1.088 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.846 -1.913 -0.063 1.00 0.00 H new ATOM 0 HG23 THR A 68 35.065 -1.577 1.500 1.00 0.00 H new ATOM 1002 N PRO A 69 33.796 -4.321 -0.621 1.00 0.00 N ATOM 1003 CA PRO A 69 33.382 -4.376 -2.043 1.00 0.00 C ATOM 1004 C PRO A 69 33.860 -3.147 -2.845 1.00 0.00 C ATOM 1005 O PRO A 69 34.049 -2.058 -2.285 1.00 0.00 O ATOM 1006 CB PRO A 69 31.837 -4.453 -1.968 1.00 0.00 C ATOM 1007 CG PRO A 69 31.471 -3.838 -0.655 1.00 0.00 C ATOM 1008 CD PRO A 69 32.623 -4.132 0.283 1.00 0.00 C ATOM 0 HA PRO A 69 33.823 -5.222 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.376 -3.914 -2.796 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.492 -5.485 -2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.316 -2.764 -0.758 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.541 -4.259 -0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.787 -3.311 0.981 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.433 -5.024 0.879 1.00 0.00 H new ATOM 1016 N GLU A 70 34.043 -3.343 -4.160 1.00 0.00 N ATOM 1017 CA GLU A 70 34.586 -2.312 -5.067 1.00 0.00 C ATOM 1018 C GLU A 70 33.617 -1.130 -5.226 1.00 0.00 C ATOM 1019 O GLU A 70 34.033 0.011 -5.468 1.00 0.00 O ATOM 1020 CB GLU A 70 34.892 -2.936 -6.458 1.00 0.00 C ATOM 1021 CG GLU A 70 35.876 -4.114 -6.443 1.00 0.00 C ATOM 1022 CD GLU A 70 37.271 -3.714 -5.946 1.00 0.00 C ATOM 1023 OE1 GLU A 70 37.979 -2.985 -6.671 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.664 -4.120 -4.827 1.00 0.00 O ATOM 0 H GLU A 70 33.819 -4.221 -4.628 1.00 0.00 H new ATOM 0 HA GLU A 70 35.508 -1.932 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 70 33.955 -3.272 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.292 -2.157 -7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.480 -4.904 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 70 35.958 -4.527 -7.449 1.00 0.00 H new ATOM 1031 N ASP A 71 32.321 -1.422 -5.094 1.00 0.00 N ATOM 1032 CA ASP A 71 31.243 -0.442 -5.313 1.00 0.00 C ATOM 1033 C ASP A 71 30.645 0.045 -3.988 1.00 0.00 C ATOM 1034 O ASP A 71 29.579 0.644 -3.976 1.00 0.00 O ATOM 1035 CB ASP A 71 30.170 -1.076 -6.236 1.00 0.00 C ATOM 1036 CG ASP A 71 30.717 -1.355 -7.646 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.597 -2.223 -7.787 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.299 -0.688 -8.617 1.00 0.00 O ATOM 0 H ASP A 71 31.983 -2.348 -4.831 1.00 0.00 H new ATOM 0 HA ASP A 71 31.652 0.442 -5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.815 -2.007 -5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.311 -0.409 -6.306 1.00 0.00 H new ATOM 1043 N ASN A 72 31.397 -0.154 -2.888 1.00 0.00 N ATOM 1044 CA ASN A 72 30.970 0.202 -1.509 1.00 0.00 C ATOM 1045 C ASN A 72 30.619 1.709 -1.370 1.00 0.00 C ATOM 1046 O ASN A 72 29.676 2.070 -0.652 1.00 0.00 O ATOM 1047 CB ASN A 72 32.098 -0.209 -0.518 1.00 0.00 C ATOM 1048 CG ASN A 72 31.808 0.103 0.962 1.00 0.00 C ATOM 1049 OD1 ASN A 72 30.672 0.036 1.421 1.00 0.00 O ATOM 1050 ND2 ASN A 72 32.851 0.413 1.726 1.00 0.00 N ATOM 0 H ASN A 72 32.328 -0.570 -2.926 1.00 0.00 H new ATOM 0 HA ASN A 72 30.055 -0.341 -1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.279 -1.279 -0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 72 33.018 0.298 -0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.717 0.602 2.719 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.785 0.462 1.319 1.00 0.00 H new ATOM 1057 N GLU A 73 31.366 2.574 -2.100 1.00 0.00 N ATOM 1058 CA GLU A 73 31.166 4.047 -2.079 1.00 0.00 C ATOM 1059 C GLU A 73 29.777 4.468 -2.622 1.00 0.00 C ATOM 1060 O GLU A 73 29.208 5.469 -2.165 1.00 0.00 O ATOM 1061 CB GLU A 73 32.333 4.803 -2.813 1.00 0.00 C ATOM 1062 CG GLU A 73 32.873 4.169 -4.122 1.00 0.00 C ATOM 1063 CD GLU A 73 31.856 4.017 -5.264 1.00 0.00 C ATOM 1064 OE1 GLU A 73 31.308 5.042 -5.730 1.00 0.00 O ATOM 1065 OE2 GLU A 73 31.595 2.878 -5.698 1.00 0.00 O ATOM 0 H GLU A 73 32.120 2.274 -2.717 1.00 0.00 H new ATOM 0 HA GLU A 73 31.191 4.347 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 73 31.991 5.812 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 73 33.165 4.899 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 73 33.705 4.776 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 73 33.276 3.184 -3.886 1.00 0.00 H new ATOM 1072 N ARG A 74 29.239 3.682 -3.581 1.00 0.00 N ATOM 1073 CA ARG A 74 27.890 3.881 -4.147 1.00 0.00 C ATOM 1074 C ARG A 74 26.785 3.805 -3.074 1.00 0.00 C ATOM 1075 O ARG A 74 25.754 4.481 -3.168 1.00 0.00 O ATOM 1076 CB ARG A 74 27.629 2.813 -5.243 1.00 0.00 C ATOM 1077 CG ARG A 74 28.391 3.039 -6.558 1.00 0.00 C ATOM 1078 CD ARG A 74 28.241 1.874 -7.564 1.00 0.00 C ATOM 1079 NE ARG A 74 26.881 1.304 -7.578 1.00 0.00 N ATOM 1080 CZ ARG A 74 26.592 0.017 -7.822 1.00 0.00 C ATOM 1081 NH1 ARG A 74 27.479 -0.808 -8.355 1.00 0.00 N ATOM 1082 NH2 ARG A 74 25.382 -0.432 -7.584 1.00 0.00 N ATOM 0 H ARG A 74 29.734 2.887 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 74 27.857 4.883 -4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.898 1.834 -4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.561 2.787 -5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.034 3.958 -7.022 1.00 0.00 H new ATOM 0 HG3 ARG A 74 29.448 3.184 -6.336 1.00 0.00 H new ATOM 0 HD2 ARG A 74 28.492 2.228 -8.564 1.00 0.00 H new ATOM 0 HD3 ARG A 74 28.956 1.090 -7.315 1.00 0.00 H new ATOM 0 HE ARG A 74 26.102 1.935 -7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 74 28.412 -0.470 -8.592 1.00 0.00 H new ATOM 0 HH12 ARG A 74 27.230 -1.782 -8.529 1.00 0.00 H new ATOM 0 HH21 ARG A 74 24.668 0.197 -7.216 1.00 0.00 H new ATOM 0 HH22 ARG A 74 25.156 -1.409 -7.767 1.00 0.00 H new ATOM 1096 N PHE A 75 27.020 2.952 -2.083 1.00 0.00 N ATOM 1097 CA PHE A 75 26.054 2.645 -1.012 1.00 0.00 C ATOM 1098 C PHE A 75 26.362 3.439 0.267 1.00 0.00 C ATOM 1099 O PHE A 75 25.501 3.558 1.135 1.00 0.00 O ATOM 1100 CB PHE A 75 26.086 1.122 -0.731 1.00 0.00 C ATOM 1101 CG PHE A 75 25.850 0.278 -1.985 1.00 0.00 C ATOM 1102 CD1 PHE A 75 26.909 -0.094 -2.812 1.00 0.00 C ATOM 1103 CD2 PHE A 75 24.575 -0.117 -2.347 1.00 0.00 C ATOM 1104 CE1 PHE A 75 26.692 -0.828 -3.965 1.00 0.00 C ATOM 1105 CE2 PHE A 75 24.365 -0.854 -3.487 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.420 -1.211 -4.298 1.00 0.00 C ATOM 0 H PHE A 75 27.898 2.442 -1.992 1.00 0.00 H new ATOM 0 HA PHE A 75 25.057 2.939 -1.339 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.051 0.858 -0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 75 25.326 0.879 0.012 1.00 0.00 H new ATOM 0 HD1 PHE A 75 27.916 0.195 -2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.735 0.157 -1.726 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.523 -1.098 -4.600 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.362 -1.157 -3.750 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.245 -1.790 -5.192 1.00 0.00 H new ATOM 1116 N GLU A 76 27.591 3.990 0.353 1.00 0.00 N ATOM 1117 CA GLU A 76 28.092 4.732 1.541 1.00 0.00 C ATOM 1118 C GLU A 76 27.153 5.904 1.947 1.00 0.00 C ATOM 1119 O GLU A 76 26.996 6.206 3.134 1.00 0.00 O ATOM 1120 CB GLU A 76 29.521 5.268 1.244 1.00 0.00 C ATOM 1121 CG GLU A 76 30.166 6.098 2.377 1.00 0.00 C ATOM 1122 CD GLU A 76 31.537 6.681 1.998 1.00 0.00 C ATOM 1123 OE1 GLU A 76 31.599 7.517 1.070 1.00 0.00 O ATOM 1124 OE2 GLU A 76 32.555 6.311 2.615 1.00 0.00 O ATOM 0 H GLU A 76 28.273 3.935 -0.404 1.00 0.00 H new ATOM 0 HA GLU A 76 28.117 4.040 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 76 30.170 4.421 1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 76 29.481 5.882 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 76 29.495 6.913 2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 76 30.278 5.469 3.260 1.00 0.00 H new ATOM 1131 N SER A 77 26.518 6.529 0.945 1.00 0.00 N ATOM 1132 CA SER A 77 25.631 7.698 1.135 1.00 0.00 C ATOM 1133 C SER A 77 24.219 7.308 1.647 1.00 0.00 C ATOM 1134 O SER A 77 23.409 8.190 1.961 1.00 0.00 O ATOM 1135 CB SER A 77 25.523 8.451 -0.211 1.00 0.00 C ATOM 1136 OG SER A 77 25.120 7.571 -1.248 1.00 0.00 O ATOM 0 H SER A 77 26.603 6.239 -0.029 1.00 0.00 H new ATOM 0 HA SER A 77 26.068 8.335 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 77 24.806 9.267 -0.120 1.00 0.00 H new ATOM 0 HB3 SER A 77 26.485 8.899 -0.461 1.00 0.00 H new ATOM 0 HG SER A 77 25.056 8.067 -2.091 1.00 0.00 H new ATOM 1142 N ARG A 78 23.934 5.989 1.724 1.00 0.00 N ATOM 1143 CA ARG A 78 22.588 5.450 2.039 1.00 0.00 C ATOM 1144 C ARG A 78 22.615 4.583 3.313 1.00 0.00 C ATOM 1145 O ARG A 78 23.692 4.264 3.836 1.00 0.00 O ATOM 1146 CB ARG A 78 22.064 4.622 0.833 1.00 0.00 C ATOM 1147 CG ARG A 78 22.107 5.356 -0.522 1.00 0.00 C ATOM 1148 CD ARG A 78 21.244 6.624 -0.557 1.00 0.00 C ATOM 1149 NE ARG A 78 21.488 7.415 -1.774 1.00 0.00 N ATOM 1150 CZ ARG A 78 20.749 8.451 -2.195 1.00 0.00 C ATOM 1151 NH1 ARG A 78 19.626 8.794 -1.574 1.00 0.00 N ATOM 1152 NH2 ARG A 78 21.140 9.140 -3.254 1.00 0.00 N ATOM 0 H ARG A 78 24.634 5.263 1.569 1.00 0.00 H new ATOM 0 HA ARG A 78 21.916 6.288 2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 78 22.653 3.708 0.754 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.036 4.322 1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 78 23.139 5.622 -0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 78 21.772 4.676 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 78 20.191 6.349 -0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.456 7.233 0.322 1.00 0.00 H new ATOM 0 HE ARG A 78 22.290 7.152 -2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 78 19.311 8.265 -0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 78 19.078 9.586 -1.911 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.997 8.881 -3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 78 20.584 9.930 -3.582 1.00 0.00 H new ATOM 1166 N ASP A 79 21.413 4.196 3.794 1.00 0.00 N ATOM 1167 CA ASP A 79 21.249 3.408 5.034 1.00 0.00 C ATOM 1168 C ASP A 79 21.567 1.919 4.761 1.00 0.00 C ATOM 1169 O ASP A 79 20.697 1.156 4.315 1.00 0.00 O ATOM 1170 CB ASP A 79 19.804 3.561 5.593 1.00 0.00 C ATOM 1171 CG ASP A 79 19.357 5.030 5.700 1.00 0.00 C ATOM 1172 OD1 ASP A 79 19.807 5.738 6.624 1.00 0.00 O ATOM 1173 OD2 ASP A 79 18.565 5.484 4.842 1.00 0.00 O ATOM 0 H ASP A 79 20.531 4.421 3.334 1.00 0.00 H new ATOM 0 HA ASP A 79 21.946 3.786 5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.111 3.021 4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.750 3.097 6.578 1.00 0.00 H new ATOM 1178 N VAL A 80 22.834 1.532 4.988 1.00 0.00 N ATOM 1179 CA VAL A 80 23.317 0.163 4.733 1.00 0.00 C ATOM 1180 C VAL A 80 23.590 -0.580 6.055 1.00 0.00 C ATOM 1181 O VAL A 80 24.148 -0.016 7.005 1.00 0.00 O ATOM 1182 CB VAL A 80 24.617 0.166 3.848 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.065 -1.268 3.498 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.410 1.003 2.572 1.00 0.00 C ATOM 0 H VAL A 80 23.552 2.158 5.353 1.00 0.00 H new ATOM 0 HA VAL A 80 22.530 -0.359 4.188 1.00 0.00 H new ATOM 0 HB VAL A 80 25.413 0.627 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 80 25.966 -1.228 2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.274 -1.818 4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.272 -1.772 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.323 0.990 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.591 0.582 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 80 24.170 2.030 2.846 1.00 0.00 H new ATOM 1194 N TYR A 81 23.208 -1.865 6.073 1.00 0.00 N ATOM 1195 CA TYR A 81 23.350 -2.768 7.219 1.00 0.00 C ATOM 1196 C TYR A 81 24.465 -3.776 6.892 1.00 0.00 C ATOM 1197 O TYR A 81 24.218 -4.796 6.234 1.00 0.00 O ATOM 1198 CB TYR A 81 21.982 -3.471 7.495 1.00 0.00 C ATOM 1199 CG TYR A 81 20.817 -2.474 7.623 1.00 0.00 C ATOM 1200 CD1 TYR A 81 20.490 -1.898 8.847 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.072 -2.080 6.504 1.00 0.00 C ATOM 1202 CE1 TYR A 81 19.464 -0.975 8.954 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.053 -1.161 6.606 1.00 0.00 C ATOM 1204 CZ TYR A 81 18.750 -0.610 7.828 1.00 0.00 C ATOM 1205 OH TYR A 81 17.713 0.290 7.925 1.00 0.00 O ATOM 0 H TYR A 81 22.779 -2.316 5.265 1.00 0.00 H new ATOM 0 HA TYR A 81 23.624 -2.226 8.124 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.769 -4.171 6.687 1.00 0.00 H new ATOM 0 HB3 TYR A 81 22.057 -4.055 8.412 1.00 0.00 H new ATOM 0 HD1 TYR A 81 21.047 -2.176 9.729 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.303 -2.507 5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 81 19.222 -0.542 9.913 1.00 0.00 H new ATOM 0 HE2 TYR A 81 18.493 -0.874 5.728 1.00 0.00 H new ATOM 0 HH TYR A 81 17.321 0.434 7.038 1.00 0.00 H new ATOM 1215 N GLU A 82 25.704 -3.421 7.274 1.00 0.00 N ATOM 1216 CA GLU A 82 26.903 -4.233 6.987 1.00 0.00 C ATOM 1217 C GLU A 82 26.999 -5.417 7.964 1.00 0.00 C ATOM 1218 O GLU A 82 26.891 -5.242 9.178 1.00 0.00 O ATOM 1219 CB GLU A 82 28.179 -3.353 7.054 1.00 0.00 C ATOM 1220 CG GLU A 82 28.200 -2.207 6.027 1.00 0.00 C ATOM 1221 CD GLU A 82 29.454 -1.323 6.137 1.00 0.00 C ATOM 1222 OE1 GLU A 82 29.430 -0.336 6.904 1.00 0.00 O ATOM 1223 OE2 GLU A 82 30.469 -1.612 5.466 1.00 0.00 O ATOM 0 H GLU A 82 25.904 -2.564 7.790 1.00 0.00 H new ATOM 0 HA GLU A 82 26.819 -4.635 5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.266 -2.932 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 82 29.053 -3.985 6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 82 28.145 -2.626 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.313 -1.588 6.163 1.00 0.00 H new ATOM 1230 N ILE A 83 27.173 -6.611 7.401 1.00 0.00 N ATOM 1231 CA ILE A 83 27.281 -7.894 8.128 1.00 0.00 C ATOM 1232 C ILE A 83 28.340 -8.779 7.425 1.00 0.00 C ATOM 1233 O ILE A 83 28.992 -8.339 6.462 1.00 0.00 O ATOM 1234 CB ILE A 83 25.901 -8.670 8.136 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.426 -8.922 6.664 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.805 -7.932 8.967 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.275 -9.884 6.528 1.00 0.00 C ATOM 0 H ILE A 83 27.246 -6.726 6.390 1.00 0.00 H new ATOM 0 HA ILE A 83 27.567 -7.682 9.158 1.00 0.00 H new ATOM 0 HB ILE A 83 26.061 -9.629 8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 83 25.138 -7.968 6.222 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.268 -9.301 6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.879 -8.507 8.940 1.00 0.00 H new ATOM 0 HG22 ILE A 83 25.138 -7.830 10.000 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.631 -6.943 8.543 1.00 0.00 H new ATOM 0 HD11 ILE A 83 24.016 -9.995 5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.561 -10.853 6.936 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.414 -9.500 7.075 1.00 0.00 H new ATOM 1249 N THR A 84 28.492 -10.034 7.894 1.00 0.00 N ATOM 1250 CA THR A 84 29.255 -11.056 7.162 1.00 0.00 C ATOM 1251 C THR A 84 28.368 -11.708 6.098 1.00 0.00 C ATOM 1252 O THR A 84 27.146 -11.825 6.269 1.00 0.00 O ATOM 1253 CB THR A 84 29.863 -12.157 8.088 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.869 -12.698 8.967 1.00 0.00 O ATOM 1255 CG2 THR A 84 31.048 -11.609 8.887 1.00 0.00 C ATOM 0 H THR A 84 28.096 -10.360 8.775 1.00 0.00 H new ATOM 0 HA THR A 84 30.094 -10.540 6.694 1.00 0.00 H new ATOM 0 HB THR A 84 30.226 -12.963 7.450 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.274 -13.386 9.535 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.453 -12.396 9.524 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.821 -11.264 8.201 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.715 -10.776 9.507 1.00 0.00 H new ATOM 1263 N LEU A 85 29.004 -12.125 4.998 1.00 0.00 N ATOM 1264 CA LEU A 85 28.335 -12.831 3.891 1.00 0.00 C ATOM 1265 C LEU A 85 27.774 -14.189 4.352 1.00 0.00 C ATOM 1266 O LEU A 85 26.765 -14.667 3.823 1.00 0.00 O ATOM 1267 CB LEU A 85 29.337 -12.971 2.711 1.00 0.00 C ATOM 1268 CG LEU A 85 28.738 -13.415 1.327 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.518 -12.802 0.153 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.678 -14.944 1.185 1.00 0.00 C ATOM 0 H LEU A 85 30.003 -11.983 4.846 1.00 0.00 H new ATOM 0 HA LEU A 85 27.475 -12.254 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.837 -12.012 2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.102 -13.692 2.998 1.00 0.00 H new ATOM 0 HG LEU A 85 27.716 -13.038 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.077 -13.130 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 85 29.474 -11.715 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.558 -13.126 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.257 -15.203 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.684 -15.357 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.050 -15.358 1.974 1.00 0.00 H new ATOM 1282 N GLN A 86 28.436 -14.798 5.346 1.00 0.00 N ATOM 1283 CA GLN A 86 28.002 -16.075 5.914 1.00 0.00 C ATOM 1284 C GLN A 86 26.698 -15.903 6.731 1.00 0.00 C ATOM 1285 O GLN A 86 25.831 -16.778 6.694 1.00 0.00 O ATOM 1286 CB GLN A 86 29.135 -16.693 6.769 1.00 0.00 C ATOM 1287 CG GLN A 86 28.815 -18.106 7.286 1.00 0.00 C ATOM 1288 CD GLN A 86 30.018 -18.827 7.890 1.00 0.00 C ATOM 1289 OE1 GLN A 86 30.738 -19.543 7.200 1.00 0.00 O ATOM 1290 NE2 GLN A 86 30.263 -18.627 9.172 1.00 0.00 N ATOM 0 H GLN A 86 29.281 -14.420 5.774 1.00 0.00 H new ATOM 0 HA GLN A 86 27.782 -16.764 5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 86 30.048 -16.731 6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.335 -16.041 7.619 1.00 0.00 H new ATOM 0 HG2 GLN A 86 28.028 -18.039 8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.420 -18.703 6.464 1.00 0.00 H new ATOM 0 HE21 GLN A 86 29.648 -18.027 9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 86 31.068 -19.073 9.613 1.00 0.00 H new ATOM 1299 N ASP A 87 26.562 -14.746 7.438 1.00 0.00 N ATOM 1300 CA ASP A 87 25.317 -14.360 8.161 1.00 0.00 C ATOM 1301 C ASP A 87 24.139 -14.239 7.174 1.00 0.00 C ATOM 1302 O ASP A 87 23.005 -14.537 7.516 1.00 0.00 O ATOM 1303 CB ASP A 87 25.503 -13.005 8.919 1.00 0.00 C ATOM 1304 CG ASP A 87 24.381 -12.697 9.938 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.284 -13.403 10.963 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.604 -11.739 9.736 1.00 0.00 O ATOM 0 H ASP A 87 27.310 -14.057 7.522 1.00 0.00 H new ATOM 0 HA ASP A 87 25.101 -15.141 8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.460 -13.020 9.441 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.550 -12.196 8.190 1.00 0.00 H new ATOM 1311 N ALA A 88 24.442 -13.805 5.944 1.00 0.00 N ATOM 1312 CA ALA A 88 23.450 -13.648 4.859 1.00 0.00 C ATOM 1313 C ALA A 88 22.885 -14.982 4.357 1.00 0.00 C ATOM 1314 O ALA A 88 21.828 -15.010 3.721 1.00 0.00 O ATOM 1315 CB ALA A 88 24.078 -12.888 3.705 1.00 0.00 C ATOM 0 H ALA A 88 25.389 -13.549 5.666 1.00 0.00 H new ATOM 0 HA ALA A 88 22.610 -13.090 5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.347 -12.772 2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.399 -11.905 4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.940 -13.441 3.332 1.00 0.00 H new ATOM 1321 N ILE A 89 23.614 -16.068 4.613 1.00 0.00 N ATOM 1322 CA ILE A 89 23.201 -17.424 4.225 1.00 0.00 C ATOM 1323 C ILE A 89 22.317 -18.035 5.334 1.00 0.00 C ATOM 1324 O ILE A 89 21.177 -18.441 5.090 1.00 0.00 O ATOM 1325 CB ILE A 89 24.476 -18.312 3.956 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.370 -17.641 2.859 1.00 0.00 C ATOM 1327 CG2 ILE A 89 24.093 -19.762 3.553 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.761 -18.226 2.694 1.00 0.00 C ATOM 0 H ILE A 89 24.511 -16.036 5.097 1.00 0.00 H new ATOM 0 HA ILE A 89 22.616 -17.383 3.306 1.00 0.00 H new ATOM 0 HB ILE A 89 25.045 -18.380 4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 89 24.852 -17.709 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.467 -16.581 3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 89 24.999 -20.342 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.518 -20.223 4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.493 -19.740 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.292 -17.687 1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.308 -18.133 3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.683 -19.279 2.422 1.00 0.00 H new ATOM 1340 N LYS A 90 22.862 -18.058 6.561 1.00 0.00 N ATOM 1341 CA LYS A 90 22.233 -18.725 7.726 1.00 0.00 C ATOM 1342 C LYS A 90 21.082 -17.893 8.338 1.00 0.00 C ATOM 1343 O LYS A 90 20.019 -18.433 8.656 1.00 0.00 O ATOM 1344 CB LYS A 90 23.317 -19.035 8.801 1.00 0.00 C ATOM 1345 CG LYS A 90 24.188 -17.818 9.221 1.00 0.00 C ATOM 1346 CD LYS A 90 25.236 -18.154 10.303 1.00 0.00 C ATOM 1347 CE LYS A 90 26.249 -19.214 9.838 1.00 0.00 C ATOM 1348 NZ LYS A 90 27.318 -19.434 10.841 1.00 0.00 N ATOM 0 H LYS A 90 23.754 -17.615 6.780 1.00 0.00 H new ATOM 0 HA LYS A 90 21.790 -19.656 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.825 -19.434 9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 90 23.972 -19.818 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.699 -17.426 8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.537 -17.026 9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 90 25.769 -17.245 10.581 1.00 0.00 H new ATOM 0 HD3 LYS A 90 24.727 -18.512 11.198 1.00 0.00 H new ATOM 0 HE2 LYS A 90 25.730 -20.154 9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.695 -18.900 8.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 27.980 -20.155 10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 27.830 -18.544 11.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 26.895 -19.758 11.734 1.00 0.00 H new ATOM 1362 N ASN A 91 21.304 -16.579 8.489 1.00 0.00 N ATOM 1363 CA ASN A 91 20.375 -15.655 9.182 1.00 0.00 C ATOM 1364 C ASN A 91 19.624 -14.774 8.159 1.00 0.00 C ATOM 1365 O ASN A 91 19.098 -13.741 8.528 1.00 0.00 O ATOM 1366 CB ASN A 91 21.182 -14.750 10.163 1.00 0.00 C ATOM 1367 CG ASN A 91 20.311 -13.949 11.150 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.421 -14.490 11.798 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.512 -12.645 11.211 1.00 0.00 N ATOM 0 H ASN A 91 22.140 -16.117 8.132 1.00 0.00 H new ATOM 0 HA ASN A 91 19.644 -16.241 9.739 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.872 -15.374 10.730 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.786 -14.053 9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.921 -12.065 11.806 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.259 -12.218 10.663 1.00 0.00 H new ATOM 1376 N ALA A 92 19.564 -15.211 6.888 1.00 0.00 N ATOM 1377 CA ALA A 92 18.965 -14.432 5.765 1.00 0.00 C ATOM 1378 C ALA A 92 17.624 -13.769 6.138 1.00 0.00 C ATOM 1379 O ALA A 92 17.485 -12.531 6.090 1.00 0.00 O ATOM 1380 CB ALA A 92 18.772 -15.346 4.562 1.00 0.00 C ATOM 0 H ALA A 92 19.929 -16.119 6.599 1.00 0.00 H new ATOM 0 HA ALA A 92 19.658 -13.626 5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.334 -14.779 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.737 -15.748 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 92 18.107 -16.166 4.831 1.00 0.00 H new ATOM 1386 N ALA A 93 16.663 -14.616 6.533 1.00 0.00 N ATOM 1387 CA ALA A 93 15.332 -14.185 6.963 1.00 0.00 C ATOM 1388 C ALA A 93 15.427 -13.260 8.177 1.00 0.00 C ATOM 1389 O ALA A 93 14.748 -12.233 8.219 1.00 0.00 O ATOM 1390 CB ALA A 93 14.450 -15.409 7.255 1.00 0.00 C ATOM 0 H ALA A 93 16.792 -15.627 6.562 1.00 0.00 H new ATOM 0 HA ALA A 93 14.868 -13.617 6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.462 -15.078 7.574 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.356 -16.013 6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.906 -16.005 8.045 1.00 0.00 H new ATOM 1396 N GLY A 94 16.330 -13.620 9.117 1.00 0.00 N ATOM 1397 CA GLY A 94 16.555 -12.874 10.356 1.00 0.00 C ATOM 1398 C GLY A 94 16.960 -11.425 10.101 1.00 0.00 C ATOM 1399 O GLY A 94 16.397 -10.515 10.690 1.00 0.00 O ATOM 0 H GLY A 94 16.923 -14.445 9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.646 -12.893 10.958 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.333 -13.368 10.938 1.00 0.00 H new ATOM 1403 N ILE A 95 17.900 -11.236 9.171 1.00 0.00 N ATOM 1404 CA ILE A 95 18.446 -9.923 8.792 1.00 0.00 C ATOM 1405 C ILE A 95 17.313 -9.023 8.273 1.00 0.00 C ATOM 1406 O ILE A 95 17.074 -7.948 8.829 1.00 0.00 O ATOM 1407 CB ILE A 95 19.540 -10.092 7.676 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.728 -10.972 8.176 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.051 -8.721 7.139 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.444 -11.693 7.064 1.00 0.00 C ATOM 0 H ILE A 95 18.314 -12.007 8.647 1.00 0.00 H new ATOM 0 HA ILE A 95 18.903 -9.464 9.668 1.00 0.00 H new ATOM 0 HB ILE A 95 19.062 -10.607 6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.440 -10.341 8.708 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.353 -11.703 8.892 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.805 -8.890 6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.217 -8.163 6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.489 -8.150 7.958 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.258 -12.286 7.480 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.745 -12.349 6.546 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.848 -10.966 6.360 1.00 0.00 H new ATOM 1422 N ILE A 96 16.615 -9.509 7.222 1.00 0.00 N ATOM 1423 CA ILE A 96 15.532 -8.761 6.552 1.00 0.00 C ATOM 1424 C ILE A 96 14.443 -8.329 7.568 1.00 0.00 C ATOM 1425 O ILE A 96 14.107 -7.143 7.637 1.00 0.00 O ATOM 1426 CB ILE A 96 14.910 -9.597 5.344 1.00 0.00 C ATOM 1427 CG1 ILE A 96 15.783 -9.458 4.041 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.436 -9.223 5.040 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.123 -10.167 4.051 1.00 0.00 C ATOM 0 H ILE A 96 16.788 -10.429 6.817 1.00 0.00 H new ATOM 0 HA ILE A 96 15.965 -7.855 6.128 1.00 0.00 H new ATOM 0 HB ILE A 96 14.917 -10.637 5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.203 -9.835 3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 96 15.958 -8.398 3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.072 -9.826 4.209 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.823 -9.412 5.922 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.376 -8.167 4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.631 -9.998 3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.735 -9.777 4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.968 -11.236 4.194 1.00 0.00 H new ATOM 1441 N LYS A 97 13.937 -9.289 8.385 1.00 0.00 N ATOM 1442 CA LYS A 97 12.824 -9.033 9.342 1.00 0.00 C ATOM 1443 C LYS A 97 13.247 -8.094 10.483 1.00 0.00 C ATOM 1444 O LYS A 97 12.405 -7.382 11.041 1.00 0.00 O ATOM 1445 CB LYS A 97 12.211 -10.364 9.903 1.00 0.00 C ATOM 1446 CG LYS A 97 13.181 -11.309 10.682 1.00 0.00 C ATOM 1447 CD LYS A 97 13.433 -10.959 12.173 1.00 0.00 C ATOM 1448 CE LYS A 97 12.170 -11.011 13.044 1.00 0.00 C ATOM 1449 NZ LYS A 97 12.487 -10.755 14.472 1.00 0.00 N ATOM 0 H LYS A 97 14.281 -10.249 8.401 1.00 0.00 H new ATOM 0 HA LYS A 97 12.042 -8.527 8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.384 -10.106 10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.789 -10.923 9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.785 -12.323 10.631 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.141 -11.315 10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.172 -11.650 12.579 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.864 -9.960 12.234 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.452 -10.271 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.697 -11.988 12.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.115 -11.532 15.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.518 -10.694 14.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.050 -9.859 14.769 1.00 0.00 H new ATOM 1463 N GLU A 98 14.551 -8.126 10.839 1.00 0.00 N ATOM 1464 CA GLU A 98 15.126 -7.231 11.867 1.00 0.00 C ATOM 1465 C GLU A 98 15.144 -5.787 11.359 1.00 0.00 C ATOM 1466 O GLU A 98 14.939 -4.850 12.133 1.00 0.00 O ATOM 1467 CB GLU A 98 16.559 -7.674 12.295 1.00 0.00 C ATOM 1468 CG GLU A 98 16.620 -8.879 13.260 1.00 0.00 C ATOM 1469 CD GLU A 98 15.855 -8.675 14.584 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.116 -7.677 15.285 1.00 0.00 O ATOM 1471 OE2 GLU A 98 15.016 -9.533 14.942 1.00 0.00 O ATOM 0 H GLU A 98 15.228 -8.767 10.426 1.00 0.00 H new ATOM 0 HA GLU A 98 14.490 -7.295 12.750 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.128 -7.919 11.398 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.057 -6.827 12.767 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.217 -9.756 12.753 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.664 -9.094 13.487 1.00 0.00 H new ATOM 1478 N ILE A 99 15.350 -5.614 10.042 1.00 0.00 N ATOM 1479 CA ILE A 99 15.392 -4.281 9.431 1.00 0.00 C ATOM 1480 C ILE A 99 13.961 -3.738 9.316 1.00 0.00 C ATOM 1481 O ILE A 99 13.699 -2.570 9.595 1.00 0.00 O ATOM 1482 CB ILE A 99 16.077 -4.327 8.026 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.530 -4.910 8.141 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.081 -2.919 7.388 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.156 -5.312 6.816 1.00 0.00 C ATOM 0 H ILE A 99 15.489 -6.381 9.384 1.00 0.00 H new ATOM 0 HA ILE A 99 15.985 -3.619 10.062 1.00 0.00 H new ATOM 0 HB ILE A 99 15.506 -4.989 7.375 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.169 -4.167 8.619 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.507 -5.781 8.796 1.00 0.00 H new ATOM 0 HG21 ILE A 99 16.561 -2.964 6.410 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.055 -2.569 7.273 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.630 -2.230 8.030 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.158 -5.704 6.991 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.544 -6.080 6.342 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.216 -4.441 6.163 1.00 0.00 H new ATOM 1497 N GLU A 100 13.060 -4.646 8.927 1.00 0.00 N ATOM 1498 CA GLU A 100 11.620 -4.397 8.793 1.00 0.00 C ATOM 1499 C GLU A 100 10.997 -3.917 10.107 1.00 0.00 C ATOM 1500 O GLU A 100 10.230 -2.963 10.102 1.00 0.00 O ATOM 1501 CB GLU A 100 10.924 -5.697 8.302 1.00 0.00 C ATOM 1502 CG GLU A 100 11.233 -6.053 6.837 1.00 0.00 C ATOM 1503 CD GLU A 100 10.389 -5.240 5.839 1.00 0.00 C ATOM 1504 OE1 GLU A 100 10.699 -4.050 5.604 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.391 -5.776 5.305 1.00 0.00 O ATOM 0 H GLU A 100 13.320 -5.603 8.689 1.00 0.00 H new ATOM 0 HA GLU A 100 11.474 -3.600 8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.232 -6.526 8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.846 -5.587 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.291 -5.878 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.051 -7.116 6.679 1.00 0.00 H new ATOM 1512 N GLU A 101 11.345 -4.578 11.228 1.00 0.00 N ATOM 1513 CA GLU A 101 10.788 -4.234 12.547 1.00 0.00 C ATOM 1514 C GLU A 101 11.404 -2.931 13.090 1.00 0.00 C ATOM 1515 O GLU A 101 10.736 -2.203 13.819 1.00 0.00 O ATOM 1516 CB GLU A 101 10.947 -5.386 13.570 1.00 0.00 C ATOM 1517 CG GLU A 101 12.397 -5.729 13.955 1.00 0.00 C ATOM 1518 CD GLU A 101 12.483 -6.764 15.085 1.00 0.00 C ATOM 1519 OE1 GLU A 101 12.278 -7.961 14.815 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.731 -6.376 16.250 1.00 0.00 O ATOM 0 H GLU A 101 12.009 -5.352 11.245 1.00 0.00 H new ATOM 0 HA GLU A 101 9.719 -4.075 12.405 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.401 -5.123 14.476 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.476 -6.280 13.162 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.920 -6.111 13.078 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.912 -4.819 14.262 1.00 0.00 H new ATOM 1527 N MET A 102 12.674 -2.639 12.726 1.00 0.00 N ATOM 1528 CA MET A 102 13.335 -1.367 13.103 1.00 0.00 C ATOM 1529 C MET A 102 12.655 -0.175 12.392 1.00 0.00 C ATOM 1530 O MET A 102 12.272 0.812 13.040 1.00 0.00 O ATOM 1531 CB MET A 102 14.864 -1.395 12.790 1.00 0.00 C ATOM 1532 CG MET A 102 15.704 -2.254 13.758 1.00 0.00 C ATOM 1533 SD MET A 102 17.492 -2.118 13.468 1.00 0.00 S ATOM 1534 CE MET A 102 17.668 -2.727 11.787 1.00 0.00 C ATOM 0 H MET A 102 13.260 -3.265 12.173 1.00 0.00 H new ATOM 0 HA MET A 102 13.225 -1.244 14.180 1.00 0.00 H new ATOM 0 HB2 MET A 102 15.007 -1.769 11.776 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.244 -0.374 12.809 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.485 -1.954 14.783 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.405 -3.298 13.660 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.724 -2.760 11.521 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.245 -3.729 11.717 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.142 -2.062 11.102 1.00 0.00 H new ATOM 1544 N ILE A 103 12.480 -0.299 11.064 1.00 0.00 N ATOM 1545 CA ILE A 103 11.776 0.705 10.240 1.00 0.00 C ATOM 1546 C ILE A 103 10.304 0.829 10.691 1.00 0.00 C ATOM 1547 O ILE A 103 9.750 1.929 10.726 1.00 0.00 O ATOM 1548 CB ILE A 103 11.848 0.353 8.701 1.00 0.00 C ATOM 1549 CG1 ILE A 103 13.341 0.330 8.217 1.00 0.00 C ATOM 1550 CG2 ILE A 103 10.983 1.322 7.838 1.00 0.00 C ATOM 1551 CD1 ILE A 103 13.539 0.071 6.725 1.00 0.00 C ATOM 0 H ILE A 103 12.822 -1.098 10.530 1.00 0.00 H new ATOM 0 HA ILE A 103 12.278 1.662 10.384 1.00 0.00 H new ATOM 0 HB ILE A 103 11.427 -0.643 8.566 1.00 0.00 H new ATOM 0 HG12 ILE A 103 13.802 1.286 8.467 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.875 -0.438 8.776 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.062 1.043 6.787 1.00 0.00 H new ATOM 0 HG22 ILE A 103 9.941 1.258 8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.340 2.343 7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.604 0.075 6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.115 -0.899 6.465 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.040 0.852 6.151 1.00 0.00 H new ATOM 1563 N ALA A 104 9.702 -0.314 11.075 1.00 0.00 N ATOM 1564 CA ALA A 104 8.327 -0.362 11.601 1.00 0.00 C ATOM 1565 C ALA A 104 8.229 0.377 12.947 1.00 0.00 C ATOM 1566 O ALA A 104 7.289 1.121 13.180 1.00 0.00 O ATOM 1567 CB ALA A 104 7.830 -1.816 11.731 1.00 0.00 C ATOM 0 H ALA A 104 10.155 -1.227 11.029 1.00 0.00 H new ATOM 0 HA ALA A 104 7.679 0.147 10.888 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.812 -1.819 12.122 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.844 -2.294 10.752 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.482 -2.364 12.412 1.00 0.00 H new ATOM 1573 N SER A 105 9.263 0.223 13.782 1.00 0.00 N ATOM 1574 CA SER A 105 9.285 0.760 15.157 1.00 0.00 C ATOM 1575 C SER A 105 9.349 2.302 15.156 1.00 0.00 C ATOM 1576 O SER A 105 8.792 2.959 16.051 1.00 0.00 O ATOM 1577 CB SER A 105 10.483 0.164 15.929 1.00 0.00 C ATOM 1578 OG SER A 105 10.485 0.544 17.301 1.00 0.00 O ATOM 0 H SER A 105 10.114 -0.279 13.527 1.00 0.00 H new ATOM 0 HA SER A 105 8.360 0.472 15.656 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.455 -0.923 15.856 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.412 0.491 15.462 1.00 0.00 H new ATOM 0 HG SER A 105 11.258 0.144 17.750 1.00 0.00 H new ATOM 1584 N GLU A 106 10.038 2.863 14.152 1.00 0.00 N ATOM 1585 CA GLU A 106 10.179 4.325 14.003 1.00 0.00 C ATOM 1586 C GLU A 106 8.987 4.955 13.236 1.00 0.00 C ATOM 1587 O GLU A 106 8.656 6.120 13.475 1.00 0.00 O ATOM 1588 CB GLU A 106 11.523 4.692 13.312 1.00 0.00 C ATOM 1589 CG GLU A 106 11.715 4.085 11.911 1.00 0.00 C ATOM 1590 CD GLU A 106 12.943 4.628 11.164 1.00 0.00 C ATOM 1591 OE1 GLU A 106 12.983 5.846 10.886 1.00 0.00 O ATOM 1592 OE2 GLU A 106 13.860 3.844 10.838 1.00 0.00 O ATOM 0 H GLU A 106 10.510 2.325 13.425 1.00 0.00 H new ATOM 0 HA GLU A 106 10.179 4.743 15.010 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.591 5.777 13.235 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.344 4.365 13.950 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.807 3.003 12.003 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.823 4.280 11.315 1.00 0.00 H new ATOM 1599 N GLN A 107 8.341 4.197 12.316 1.00 0.00 N ATOM 1600 CA GLN A 107 7.259 4.746 11.447 1.00 0.00 C ATOM 1601 C GLN A 107 5.878 4.665 12.138 1.00 0.00 C ATOM 1602 O GLN A 107 5.004 5.500 11.881 1.00 0.00 O ATOM 1603 CB GLN A 107 7.231 4.037 10.059 1.00 0.00 C ATOM 1604 CG GLN A 107 6.714 2.585 10.068 1.00 0.00 C ATOM 1605 CD GLN A 107 6.851 1.847 8.728 1.00 0.00 C ATOM 1606 OE1 GLN A 107 7.045 0.632 8.700 1.00 0.00 O ATOM 1607 NE2 GLN A 107 6.714 2.553 7.612 1.00 0.00 N ATOM 0 H GLN A 107 8.545 3.211 12.154 1.00 0.00 H new ATOM 0 HA GLN A 107 7.483 5.800 11.280 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.607 4.623 9.384 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.240 4.043 9.647 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.254 2.026 10.832 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.664 2.589 10.359 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.554 3.559 7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.769 2.089 6.705 1.00 0.00 H new ATOM 1616 N GLN A 108 5.695 3.653 13.008 1.00 0.00 N ATOM 1617 CA GLN A 108 4.435 3.437 13.754 1.00 0.00 C ATOM 1618 C GLN A 108 4.272 4.491 14.873 1.00 0.00 C ATOM 1619 O GLN A 108 3.182 5.084 15.002 1.00 0.00 O ATOM 1620 CB GLN A 108 4.386 1.995 14.338 1.00 0.00 C ATOM 1621 CG GLN A 108 4.186 0.886 13.275 1.00 0.00 C ATOM 1622 CD GLN A 108 4.250 -0.541 13.836 1.00 0.00 C ATOM 1623 OE1 GLN A 108 4.695 -1.483 13.020 1.00 0.00 O flip ATOM 1624 NE2 GLN A 108 3.906 -0.800 14.994 1.00 0.00 N flip ATOM 1625 OXT GLN A 108 5.250 4.732 15.604 1.00 0.00 O ATOM 0 H GLN A 108 6.415 2.961 13.215 1.00 0.00 H new ATOM 0 HA GLN A 108 3.602 3.552 13.060 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.313 1.802 14.878 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.576 1.937 15.065 1.00 0.00 H new ATOM 0 HG2 GLN A 108 3.220 1.031 12.792 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.948 0.996 12.504 1.00 0.00 H new ATOM 0 HE21 GLN A 108 3.566 -0.056 15.604 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.962 -1.758 15.340 1.00 0.00 H new TER 1634 GLN A 108