USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 605 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 13 HIS : no HD1:sc= -3.19! K(o=-7.7!,f=-6.2) USER MOD Set 1.2: A 15 ASN : amide:sc= -4.46! C(o=-7.7!,f=-6.7!) USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.0979 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00659 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0637 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.564! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -5:sc= 0.706! USER MOD Single : A 45 MET CE :methyl 149:sc= -0.0906 (180deg=-1.51!) USER MOD Single : A 56 LYS NZ :NH3+ -145:sc= -0.342 (180deg=-1.72!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -106:sc= 1.3 (180deg=-0.438) USER MOD Single : A 67 SER OG : rot 163:sc= 0.0831 USER MOD Single : A 80 THR OG1 : rot 55:sc= 0.961 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.193 4.888 -10.563 1.00 0.00 N ATOM 2 CA ALA A 1 -14.056 3.417 -10.723 1.00 0.00 C ATOM 3 C ALA A 1 -13.062 2.847 -9.717 1.00 0.00 C ATOM 4 O ALA A 1 -12.616 3.545 -8.807 1.00 0.00 O ATOM 5 CB ALA A 1 -13.622 3.080 -12.141 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.160 5.115 -10.254 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.514 5.224 -9.851 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.001 5.355 -11.472 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.029 2.963 -10.533 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.525 1.999 -12.245 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.367 3.447 -12.847 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.662 3.552 -12.349 1.00 0.00 H new ATOM 13 N LEU A 2 -12.716 1.576 -9.889 1.00 0.00 N ATOM 14 CA LEU A 2 -11.773 0.913 -8.997 1.00 0.00 C ATOM 15 C LEU A 2 -10.480 1.713 -8.884 1.00 0.00 C ATOM 16 O LEU A 2 -10.298 2.719 -9.568 1.00 0.00 O ATOM 17 CB LEU A 2 -11.470 -0.501 -9.498 1.00 0.00 C ATOM 18 CG LEU A 2 -12.605 -1.511 -9.312 1.00 0.00 C ATOM 19 CD1 LEU A 2 -13.284 -1.800 -10.642 1.00 0.00 C ATOM 20 CD2 LEU A 2 -12.079 -2.795 -8.688 1.00 0.00 C ATOM 0 H LEU A 2 -13.075 0.984 -10.638 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.229 0.849 -8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.220 -0.449 -10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.585 -0.872 -8.980 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.344 -1.080 -8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -14.088 -2.520 -10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.695 -0.876 -11.049 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.555 -2.211 -11.341 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.900 -3.502 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.320 -3.231 -9.338 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -11.640 -2.573 -7.715 1.00 0.00 H new ATOM 32 N VAL A 3 -9.586 1.258 -8.014 1.00 0.00 N ATOM 33 CA VAL A 3 -8.311 1.930 -7.806 1.00 0.00 C ATOM 34 C VAL A 3 -7.189 0.914 -7.596 1.00 0.00 C ATOM 35 O VAL A 3 -7.420 -0.197 -7.121 1.00 0.00 O ATOM 36 CB VAL A 3 -8.387 2.903 -6.598 1.00 0.00 C ATOM 37 CG1 VAL A 3 -7.004 3.238 -6.043 1.00 0.00 C ATOM 38 CG2 VAL A 3 -9.123 4.175 -6.995 1.00 0.00 C ATOM 0 H VAL A 3 -9.722 0.425 -7.441 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.090 2.510 -8.702 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.940 2.400 -5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.106 3.921 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.514 2.323 -5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.404 3.710 -6.821 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.170 4.850 -6.140 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.592 4.662 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -10.134 3.925 -7.316 1.00 0.00 H new ATOM 48 N GLU A 4 -5.972 1.316 -7.947 1.00 0.00 N ATOM 49 CA GLU A 4 -4.803 0.459 -7.794 1.00 0.00 C ATOM 50 C GLU A 4 -3.700 1.195 -7.041 1.00 0.00 C ATOM 51 O GLU A 4 -2.989 2.019 -7.616 1.00 0.00 O ATOM 52 CB GLU A 4 -4.296 0.010 -9.166 1.00 0.00 C ATOM 53 CG GLU A 4 -5.288 -0.852 -9.930 1.00 0.00 C ATOM 54 CD GLU A 4 -5.223 -0.625 -11.428 1.00 0.00 C ATOM 55 OE1 GLU A 4 -4.368 -1.256 -12.086 1.00 0.00 O ATOM 56 OE2 GLU A 4 -6.026 0.181 -11.942 1.00 0.00 O ATOM 0 H GLU A 4 -5.770 2.235 -8.341 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.089 -0.421 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.059 0.891 -9.762 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.368 -0.547 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.091 -1.903 -9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.297 -0.638 -9.577 1.00 0.00 H new ATOM 63 N LEU A 5 -3.567 0.901 -5.751 1.00 0.00 N ATOM 64 CA LEU A 5 -2.553 1.549 -4.923 1.00 0.00 C ATOM 65 C LEU A 5 -1.151 1.260 -5.447 1.00 0.00 C ATOM 66 O LEU A 5 -0.931 0.279 -6.158 1.00 0.00 O ATOM 67 CB LEU A 5 -2.677 1.092 -3.468 1.00 0.00 C ATOM 68 CG LEU A 5 -3.207 2.157 -2.506 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.794 1.513 -1.260 1.00 0.00 C ATOM 70 CD2 LEU A 5 -2.102 3.133 -2.134 1.00 0.00 C ATOM 0 H LEU A 5 -4.146 0.221 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.720 2.625 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.337 0.226 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.698 0.763 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.001 2.709 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.165 2.289 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.615 0.855 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.023 0.933 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.495 3.884 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.287 2.593 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.730 3.622 -3.034 1.00 0.00 H new ATOM 82 N LYS A 6 -0.204 2.126 -5.095 1.00 0.00 N ATOM 83 CA LYS A 6 1.176 1.967 -5.533 1.00 0.00 C ATOM 84 C LYS A 6 2.156 2.363 -4.433 1.00 0.00 C ATOM 85 O LYS A 6 1.904 3.286 -3.658 1.00 0.00 O ATOM 86 CB LYS A 6 1.430 2.810 -6.784 1.00 0.00 C ATOM 87 CG LYS A 6 0.738 2.276 -8.028 1.00 0.00 C ATOM 88 CD LYS A 6 1.607 2.443 -9.264 1.00 0.00 C ATOM 89 CE LYS A 6 0.765 2.615 -10.518 1.00 0.00 C ATOM 90 NZ LYS A 6 0.669 4.043 -10.931 1.00 0.00 N ATOM 0 H LYS A 6 -0.369 2.944 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 6 1.335 0.914 -5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.092 3.830 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.503 2.858 -6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.500 1.221 -7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.207 2.799 -8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.257 3.309 -9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.254 1.573 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.199 2.031 -11.330 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.235 2.220 -10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.087 4.118 -11.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.232 4.597 -10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.621 4.413 -11.125 1.00 0.00 H new ATOM 104 N VAL A 7 3.278 1.654 -4.377 1.00 0.00 N ATOM 105 CA VAL A 7 4.317 1.914 -3.384 1.00 0.00 C ATOM 106 C VAL A 7 4.651 3.402 -3.317 1.00 0.00 C ATOM 107 O VAL A 7 4.697 4.081 -4.342 1.00 0.00 O ATOM 108 CB VAL A 7 5.596 1.115 -3.716 1.00 0.00 C ATOM 109 CG1 VAL A 7 6.719 1.433 -2.738 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.300 -0.377 -3.730 1.00 0.00 C ATOM 0 H VAL A 7 3.493 0.887 -5.014 1.00 0.00 H new ATOM 0 HA VAL A 7 3.934 1.596 -2.414 1.00 0.00 H new ATOM 0 HB VAL A 7 5.930 1.413 -4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.605 0.854 -3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.953 2.496 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.404 1.177 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.211 -0.927 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.934 -0.684 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.542 -0.591 -4.484 1.00 0.00 H new ATOM 120 N PRO A 8 4.894 3.932 -2.104 1.00 0.00 N ATOM 121 CA PRO A 8 5.227 5.346 -1.923 1.00 0.00 C ATOM 122 C PRO A 8 6.597 5.692 -2.488 1.00 0.00 C ATOM 123 O PRO A 8 7.183 4.915 -3.242 1.00 0.00 O ATOM 124 CB PRO A 8 5.217 5.536 -0.405 1.00 0.00 C ATOM 125 CG PRO A 8 5.457 4.175 0.160 1.00 0.00 C ATOM 126 CD PRO A 8 4.864 3.200 -0.822 1.00 0.00 C ATOM 0 HA PRO A 8 4.524 5.994 -2.447 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.992 6.235 -0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.264 5.941 -0.065 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.523 3.992 0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.990 4.073 1.140 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.445 2.279 -0.873 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.848 2.920 -0.544 1.00 0.00 H new ATOM 134 N ASP A 9 7.098 6.863 -2.120 1.00 0.00 N ATOM 135 CA ASP A 9 8.399 7.324 -2.587 1.00 0.00 C ATOM 136 C ASP A 9 9.515 6.940 -1.616 1.00 0.00 C ATOM 137 O ASP A 9 10.694 7.037 -1.953 1.00 0.00 O ATOM 138 CB ASP A 9 8.370 8.838 -2.768 1.00 0.00 C ATOM 139 CG ASP A 9 8.359 9.248 -4.228 1.00 0.00 C ATOM 140 OD1 ASP A 9 9.446 9.287 -4.841 1.00 0.00 O ATOM 141 OD2 ASP A 9 7.264 9.530 -4.758 1.00 0.00 O ATOM 0 H ASP A 9 6.621 7.514 -1.496 1.00 0.00 H new ATOM 0 HA ASP A 9 8.606 6.839 -3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.487 9.243 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.239 9.276 -2.277 1.00 0.00 H new ATOM 146 N ILE A 10 9.130 6.510 -0.409 1.00 0.00 N ATOM 147 CA ILE A 10 10.081 6.106 0.632 1.00 0.00 C ATOM 148 C ILE A 10 11.374 6.922 0.599 1.00 0.00 C ATOM 149 O ILE A 10 12.447 6.412 0.921 1.00 0.00 O ATOM 150 CB ILE A 10 10.424 4.600 0.553 1.00 0.00 C ATOM 151 CG1 ILE A 10 10.289 4.070 -0.879 1.00 0.00 C ATOM 152 CG2 ILE A 10 9.523 3.815 1.490 1.00 0.00 C ATOM 153 CD1 ILE A 10 11.417 4.494 -1.787 1.00 0.00 C ATOM 0 H ILE A 10 8.153 6.433 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 10 9.575 6.305 1.577 1.00 0.00 H new ATOM 0 HB ILE A 10 11.462 4.472 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.245 2.981 -0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.345 4.417 -1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.770 2.755 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.669 4.164 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.482 3.962 1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.256 4.083 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.449 5.582 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.362 4.124 -1.390 1.00 0.00 H new ATOM 165 N GLY A 11 11.257 8.197 0.219 1.00 0.00 N ATOM 166 CA GLY A 11 12.413 9.084 0.155 1.00 0.00 C ATOM 167 C GLY A 11 13.683 8.398 -0.318 1.00 0.00 C ATOM 168 O GLY A 11 14.783 8.762 0.095 1.00 0.00 O ATOM 0 H GLY A 11 10.375 8.634 -0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.187 9.913 -0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.587 9.511 1.143 1.00 0.00 H new ATOM 172 N GLY A 12 13.530 7.401 -1.183 1.00 0.00 N ATOM 173 CA GLY A 12 14.684 6.682 -1.690 1.00 0.00 C ATOM 174 C GLY A 12 14.538 6.299 -3.148 1.00 0.00 C ATOM 175 O GLY A 12 14.169 7.127 -3.982 1.00 0.00 O ATOM 0 H GLY A 12 12.631 7.079 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.574 7.299 -1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.836 5.781 -1.095 1.00 0.00 H new ATOM 179 N HIS A 13 14.831 5.041 -3.458 1.00 0.00 N ATOM 180 CA HIS A 13 14.735 4.548 -4.826 1.00 0.00 C ATOM 181 C HIS A 13 13.932 3.251 -4.878 1.00 0.00 C ATOM 182 O HIS A 13 13.201 2.925 -3.943 1.00 0.00 O ATOM 183 CB HIS A 13 16.133 4.326 -5.408 1.00 0.00 C ATOM 184 CG HIS A 13 16.852 3.155 -4.812 1.00 0.00 C ATOM 185 ND1 HIS A 13 18.041 2.668 -5.313 1.00 0.00 N ATOM 186 CD2 HIS A 13 16.546 2.373 -3.749 1.00 0.00 C ATOM 187 CE1 HIS A 13 18.435 1.638 -4.585 1.00 0.00 C ATOM 188 NE2 HIS A 13 17.546 1.440 -3.629 1.00 0.00 N ATOM 0 H HIS A 13 15.137 4.344 -2.779 1.00 0.00 H new ATOM 0 HA HIS A 13 14.218 5.298 -5.425 1.00 0.00 H new ATOM 0 HB2 HIS A 13 16.050 4.181 -6.485 1.00 0.00 H new ATOM 0 HB3 HIS A 13 16.729 5.225 -5.252 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.677 2.466 -3.114 1.00 0.00 H new ATOM 0 HE1 HIS A 13 19.331 1.057 -4.745 1.00 0.00 H new ATOM 0 HE2 HIS A 13 17.594 0.712 -2.917 1.00 0.00 H new ATOM 197 N GLU A 14 14.070 2.517 -5.977 1.00 0.00 N ATOM 198 CA GLU A 14 13.355 1.258 -6.149 1.00 0.00 C ATOM 199 C GLU A 14 13.868 0.202 -5.178 1.00 0.00 C ATOM 200 O GLU A 14 14.766 0.462 -4.377 1.00 0.00 O ATOM 201 CB GLU A 14 13.497 0.758 -7.587 1.00 0.00 C ATOM 202 CG GLU A 14 12.971 1.734 -8.627 1.00 0.00 C ATOM 203 CD GLU A 14 12.242 1.041 -9.761 1.00 0.00 C ATOM 204 OE1 GLU A 14 12.656 -0.075 -10.139 1.00 0.00 O ATOM 205 OE2 GLU A 14 11.256 1.615 -10.271 1.00 0.00 O ATOM 0 H GLU A 14 14.670 2.772 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 14 12.301 1.437 -5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.549 0.556 -7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.965 -0.188 -7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.297 2.443 -8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.803 2.310 -9.033 1.00 0.00 H new ATOM 212 N ASN A 15 13.285 -0.990 -5.257 1.00 0.00 N ATOM 213 CA ASN A 15 13.669 -2.102 -4.390 1.00 0.00 C ATOM 214 C ASN A 15 13.840 -1.646 -2.942 1.00 0.00 C ATOM 215 O ASN A 15 14.902 -1.158 -2.554 1.00 0.00 O ATOM 216 CB ASN A 15 14.963 -2.749 -4.892 1.00 0.00 C ATOM 217 CG ASN A 15 16.082 -1.744 -5.084 1.00 0.00 C ATOM 218 OD1 ASN A 15 16.121 -1.026 -6.083 1.00 0.00 O ATOM 219 ND2 ASN A 15 16.999 -1.690 -4.125 1.00 0.00 N ATOM 0 H ASN A 15 12.540 -1.213 -5.917 1.00 0.00 H new ATOM 0 HA ASN A 15 12.866 -2.839 -4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.283 -3.512 -4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.768 -3.255 -5.837 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.776 -1.034 -4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.926 -2.305 -3.314 1.00 0.00 H new ATOM 226 N VAL A 16 12.786 -1.811 -2.149 1.00 0.00 N ATOM 227 CA VAL A 16 12.814 -1.423 -0.744 1.00 0.00 C ATOM 228 C VAL A 16 11.959 -2.366 0.091 1.00 0.00 C ATOM 229 O VAL A 16 10.859 -2.741 -0.309 1.00 0.00 O ATOM 230 CB VAL A 16 12.321 0.024 -0.541 1.00 0.00 C ATOM 231 CG1 VAL A 16 13.272 1.011 -1.200 1.00 0.00 C ATOM 232 CG2 VAL A 16 10.908 0.196 -1.081 1.00 0.00 C ATOM 0 H VAL A 16 11.900 -2.212 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 16 13.852 -1.484 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 16 12.301 0.229 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.907 2.026 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 16 14.264 0.911 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 16 13.328 0.804 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.582 1.225 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.895 -0.032 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.233 -0.481 -0.557 1.00 0.00 H new ATOM 242 N ASP A 17 12.474 -2.756 1.250 1.00 0.00 N ATOM 243 CA ASP A 17 11.756 -3.667 2.130 1.00 0.00 C ATOM 244 C ASP A 17 10.564 -2.982 2.793 1.00 0.00 C ATOM 245 O ASP A 17 10.709 -1.940 3.435 1.00 0.00 O ATOM 246 CB ASP A 17 12.699 -4.220 3.200 1.00 0.00 C ATOM 247 CG ASP A 17 12.124 -5.432 3.907 1.00 0.00 C ATOM 248 OD1 ASP A 17 12.192 -6.540 3.336 1.00 0.00 O ATOM 249 OD2 ASP A 17 11.607 -5.272 5.033 1.00 0.00 O ATOM 0 H ASP A 17 13.384 -2.456 1.601 1.00 0.00 H new ATOM 0 HA ASP A 17 11.378 -4.488 1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.649 -4.489 2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.909 -3.441 3.933 1.00 0.00 H new ATOM 254 N ILE A 18 9.387 -3.587 2.649 1.00 0.00 N ATOM 255 CA ILE A 18 8.178 -3.053 3.249 1.00 0.00 C ATOM 256 C ILE A 18 8.393 -2.888 4.752 1.00 0.00 C ATOM 257 O ILE A 18 9.362 -3.416 5.299 1.00 0.00 O ATOM 258 CB ILE A 18 6.972 -3.981 2.948 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.483 -3.752 1.518 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.830 -3.774 3.932 1.00 0.00 C ATOM 261 CD1 ILE A 18 6.212 -5.031 0.757 1.00 0.00 C ATOM 0 H ILE A 18 9.250 -4.448 2.120 1.00 0.00 H new ATOM 0 HA ILE A 18 7.955 -2.076 2.820 1.00 0.00 H new ATOM 0 HB ILE A 18 7.313 -5.010 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.571 -3.156 1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.228 -3.169 0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.008 -4.445 3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.178 -3.987 4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.485 -2.741 3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.869 -4.790 -0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.128 -5.619 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.444 -5.606 1.274 1.00 0.00 H new ATOM 273 N ILE A 19 7.515 -2.149 5.422 1.00 0.00 N ATOM 274 CA ILE A 19 7.687 -1.938 6.861 1.00 0.00 C ATOM 275 C ILE A 19 6.348 -1.975 7.614 1.00 0.00 C ATOM 276 O ILE A 19 6.287 -1.645 8.798 1.00 0.00 O ATOM 277 CB ILE A 19 8.515 -0.626 7.172 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.727 0.445 7.950 1.00 0.00 C ATOM 279 CG2 ILE A 19 9.093 0.000 5.901 1.00 0.00 C ATOM 280 CD1 ILE A 19 7.978 0.407 9.441 1.00 0.00 C ATOM 0 H ILE A 19 6.699 -1.697 5.010 1.00 0.00 H new ATOM 0 HA ILE A 19 8.276 -2.775 7.236 1.00 0.00 H new ATOM 0 HB ILE A 19 9.326 -0.966 7.816 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.994 1.431 7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.662 0.309 7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.654 0.898 6.160 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.757 -0.714 5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.281 0.262 5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.393 1.187 9.928 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.685 -0.566 9.835 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.037 0.573 9.636 1.00 0.00 H new ATOM 292 N ALA A 20 5.286 -2.387 6.929 1.00 0.00 N ATOM 293 CA ALA A 20 3.968 -2.474 7.543 1.00 0.00 C ATOM 294 C ALA A 20 2.939 -3.020 6.559 1.00 0.00 C ATOM 295 O ALA A 20 3.020 -2.768 5.357 1.00 0.00 O ATOM 296 CB ALA A 20 3.536 -1.113 8.056 1.00 0.00 C ATOM 0 H ALA A 20 5.314 -2.666 5.948 1.00 0.00 H new ATOM 0 HA ALA A 20 4.031 -3.165 8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.549 -1.193 8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.252 -0.760 8.798 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.496 -0.407 7.226 1.00 0.00 H new ATOM 302 N VAL A 21 1.972 -3.769 7.078 1.00 0.00 N ATOM 303 CA VAL A 21 0.926 -4.350 6.246 1.00 0.00 C ATOM 304 C VAL A 21 -0.437 -4.226 6.917 1.00 0.00 C ATOM 305 O VAL A 21 -0.626 -4.674 8.049 1.00 0.00 O ATOM 306 CB VAL A 21 1.206 -5.834 5.945 1.00 0.00 C ATOM 307 CG1 VAL A 21 1.154 -6.660 7.221 1.00 0.00 C ATOM 308 CG2 VAL A 21 0.219 -6.367 4.917 1.00 0.00 C ATOM 0 H VAL A 21 1.891 -3.988 8.071 1.00 0.00 H new ATOM 0 HA VAL A 21 0.920 -3.794 5.308 1.00 0.00 H new ATOM 0 HB VAL A 21 2.210 -5.916 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.354 -7.705 6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.905 -6.295 7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.165 -6.572 7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.433 -7.417 4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.796 -6.270 5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.312 -5.796 3.993 1.00 0.00 H new ATOM 318 N GLU A 22 -1.386 -3.616 6.214 1.00 0.00 N ATOM 319 CA GLU A 22 -2.732 -3.432 6.746 1.00 0.00 C ATOM 320 C GLU A 22 -3.768 -3.449 5.627 1.00 0.00 C ATOM 321 O GLU A 22 -4.727 -2.679 5.645 1.00 0.00 O ATOM 322 CB GLU A 22 -2.827 -2.115 7.519 1.00 0.00 C ATOM 323 CG GLU A 22 -1.558 -1.756 8.277 1.00 0.00 C ATOM 324 CD GLU A 22 -1.379 -2.577 9.538 1.00 0.00 C ATOM 325 OE1 GLU A 22 -2.278 -3.386 9.853 1.00 0.00 O ATOM 326 OE2 GLU A 22 -0.342 -2.412 10.212 1.00 0.00 O ATOM 0 H GLU A 22 -1.248 -3.241 5.275 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.939 -4.260 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.062 -1.311 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.655 -2.177 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.696 -1.905 7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.582 -0.698 8.537 1.00 0.00 H new ATOM 333 N VAL A 23 -3.566 -4.330 4.653 1.00 0.00 N ATOM 334 CA VAL A 23 -4.483 -4.443 3.527 1.00 0.00 C ATOM 335 C VAL A 23 -5.086 -5.835 3.442 1.00 0.00 C ATOM 336 O VAL A 23 -4.393 -6.811 3.159 1.00 0.00 O ATOM 337 CB VAL A 23 -3.787 -4.115 2.195 1.00 0.00 C ATOM 338 CG1 VAL A 23 -3.648 -2.610 2.024 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.429 -4.797 2.119 1.00 0.00 C ATOM 0 H VAL A 23 -2.776 -4.975 4.621 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.278 -3.717 3.700 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.403 -4.495 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.154 -2.396 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.636 -2.150 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.054 -2.204 2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.952 -4.553 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.801 -4.450 2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.559 -5.877 2.193 1.00 0.00 H new ATOM 349 N ASN A 24 -6.387 -5.912 3.682 1.00 0.00 N ATOM 350 CA ASN A 24 -7.099 -7.177 3.628 1.00 0.00 C ATOM 351 C ASN A 24 -8.242 -7.104 2.629 1.00 0.00 C ATOM 352 O ASN A 24 -9.326 -6.610 2.938 1.00 0.00 O ATOM 353 CB ASN A 24 -7.636 -7.555 5.004 1.00 0.00 C ATOM 354 CG ASN A 24 -6.652 -7.245 6.115 1.00 0.00 C ATOM 355 OD1 ASN A 24 -6.875 -6.345 6.924 1.00 0.00 O ATOM 356 ND2 ASN A 24 -5.555 -7.992 6.160 1.00 0.00 N ATOM 0 H ASN A 24 -6.971 -5.109 3.917 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.396 -7.945 3.305 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.567 -7.019 5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.873 -8.619 5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.857 -7.830 6.886 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.410 -8.728 5.469 1.00 0.00 H new ATOM 363 N VAL A 25 -7.982 -7.599 1.428 1.00 0.00 N ATOM 364 CA VAL A 25 -8.967 -7.605 0.352 1.00 0.00 C ATOM 365 C VAL A 25 -10.370 -7.924 0.865 1.00 0.00 C ATOM 366 O VAL A 25 -10.644 -9.042 1.301 1.00 0.00 O ATOM 367 CB VAL A 25 -8.585 -8.627 -0.731 1.00 0.00 C ATOM 368 CG1 VAL A 25 -7.202 -8.326 -1.288 1.00 0.00 C ATOM 369 CG2 VAL A 25 -8.650 -10.043 -0.178 1.00 0.00 C ATOM 0 H VAL A 25 -7.084 -8.008 1.170 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.973 -6.602 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.304 -8.548 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.950 -9.060 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.196 -7.328 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.468 -8.373 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.376 -10.752 -0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.957 -10.139 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.663 -10.254 0.164 1.00 0.00 H new ATOM 379 N GLY A 26 -11.251 -6.930 0.813 1.00 0.00 N ATOM 380 CA GLY A 26 -12.613 -7.119 1.276 1.00 0.00 C ATOM 381 C GLY A 26 -12.953 -6.232 2.458 1.00 0.00 C ATOM 382 O GLY A 26 -13.886 -6.516 3.209 1.00 0.00 O ATOM 0 H GLY A 26 -11.045 -5.996 0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.303 -6.910 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.757 -8.163 1.556 1.00 0.00 H new ATOM 386 N ASP A 27 -12.193 -5.152 2.624 1.00 0.00 N ATOM 387 CA ASP A 27 -12.419 -4.220 3.724 1.00 0.00 C ATOM 388 C ASP A 27 -12.639 -2.804 3.201 1.00 0.00 C ATOM 389 O ASP A 27 -12.012 -2.387 2.228 1.00 0.00 O ATOM 390 CB ASP A 27 -11.232 -4.240 4.688 1.00 0.00 C ATOM 391 CG ASP A 27 -11.568 -4.911 6.005 1.00 0.00 C ATOM 392 OD1 ASP A 27 -12.269 -4.286 6.829 1.00 0.00 O ATOM 393 OD2 ASP A 27 -11.129 -6.062 6.214 1.00 0.00 O ATOM 0 H ASP A 27 -11.417 -4.902 2.012 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.317 -4.535 4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.397 -4.761 4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.904 -3.218 4.877 1.00 0.00 H new ATOM 398 N THR A 28 -13.533 -2.070 3.855 1.00 0.00 N ATOM 399 CA THR A 28 -13.839 -0.702 3.461 1.00 0.00 C ATOM 400 C THR A 28 -12.666 0.224 3.759 1.00 0.00 C ATOM 401 O THR A 28 -12.164 0.265 4.883 1.00 0.00 O ATOM 402 CB THR A 28 -15.091 -0.208 4.187 1.00 0.00 C ATOM 403 OG1 THR A 28 -16.046 -1.248 4.303 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.765 0.958 3.495 1.00 0.00 C ATOM 0 H THR A 28 -14.059 -2.402 4.663 1.00 0.00 H new ATOM 0 HA THR A 28 -14.023 -0.692 2.387 1.00 0.00 H new ATOM 0 HB THR A 28 -14.745 0.123 5.166 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.839 -0.913 4.772 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.646 1.258 4.063 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.070 1.796 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.065 0.661 2.490 1.00 0.00 H new ATOM 412 N ILE A 29 -12.234 0.965 2.747 1.00 0.00 N ATOM 413 CA ILE A 29 -11.120 1.890 2.900 1.00 0.00 C ATOM 414 C ILE A 29 -11.606 3.337 2.883 1.00 0.00 C ATOM 415 O ILE A 29 -12.761 3.611 2.559 1.00 0.00 O ATOM 416 CB ILE A 29 -10.067 1.684 1.790 1.00 0.00 C ATOM 417 CG1 ILE A 29 -10.645 2.130 0.443 1.00 0.00 C ATOM 418 CG2 ILE A 29 -9.627 0.226 1.749 1.00 0.00 C ATOM 419 CD1 ILE A 29 -9.941 1.574 -0.779 1.00 0.00 C ATOM 0 H ILE A 29 -12.639 0.943 1.811 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.656 1.683 3.865 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.188 2.292 2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.694 1.838 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.615 3.219 0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.884 0.092 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.192 -0.050 2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.489 -0.409 1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.426 1.949 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.897 1.887 -0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.993 0.485 -0.765 1.00 0.00 H new ATOM 431 N ALA A 30 -10.715 4.259 3.232 1.00 0.00 N ATOM 432 CA ALA A 30 -11.056 5.676 3.257 1.00 0.00 C ATOM 433 C ALA A 30 -9.973 6.512 2.583 1.00 0.00 C ATOM 434 O ALA A 30 -8.984 5.979 2.083 1.00 0.00 O ATOM 435 CB ALA A 30 -11.270 6.143 4.689 1.00 0.00 C ATOM 0 H ALA A 30 -9.753 4.051 3.501 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.983 5.811 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.524 7.203 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.083 5.574 5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.356 5.987 5.263 1.00 0.00 H new ATOM 441 N VAL A 31 -10.170 7.826 2.576 1.00 0.00 N ATOM 442 CA VAL A 31 -9.212 8.739 1.965 1.00 0.00 C ATOM 443 C VAL A 31 -8.228 9.276 2.999 1.00 0.00 C ATOM 444 O VAL A 31 -7.773 10.416 2.902 1.00 0.00 O ATOM 445 CB VAL A 31 -9.924 9.924 1.287 1.00 0.00 C ATOM 446 CG1 VAL A 31 -8.974 10.652 0.347 1.00 0.00 C ATOM 447 CG2 VAL A 31 -11.162 9.449 0.542 1.00 0.00 C ATOM 0 H VAL A 31 -10.985 8.282 2.987 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.667 8.170 1.211 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.240 10.624 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.495 11.486 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.121 11.029 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.624 9.963 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.651 10.301 0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.872 8.727 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.851 8.978 1.244 1.00 0.00 H new ATOM 457 N ASP A 32 -7.903 8.449 3.986 1.00 0.00 N ATOM 458 CA ASP A 32 -6.971 8.843 5.037 1.00 0.00 C ATOM 459 C ASP A 32 -6.843 7.749 6.092 1.00 0.00 C ATOM 460 O ASP A 32 -7.168 7.960 7.260 1.00 0.00 O ATOM 461 CB ASP A 32 -7.431 10.147 5.691 1.00 0.00 C ATOM 462 CG ASP A 32 -8.894 10.110 6.085 1.00 0.00 C ATOM 463 OD1 ASP A 32 -9.727 9.723 5.239 1.00 0.00 O ATOM 464 OD2 ASP A 32 -9.208 10.469 7.239 1.00 0.00 O ATOM 0 H ASP A 32 -8.270 7.502 4.081 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.993 8.997 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.824 10.341 6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.264 10.975 5.002 1.00 0.00 H new ATOM 469 N ASP A 33 -6.363 6.582 5.675 1.00 0.00 N ATOM 470 CA ASP A 33 -6.191 5.459 6.587 1.00 0.00 C ATOM 471 C ASP A 33 -4.904 4.705 6.275 1.00 0.00 C ATOM 472 O ASP A 33 -4.809 4.016 5.260 1.00 0.00 O ATOM 473 CB ASP A 33 -7.387 4.510 6.497 1.00 0.00 C ATOM 474 CG ASP A 33 -7.873 4.326 5.073 1.00 0.00 C ATOM 475 OD1 ASP A 33 -8.407 5.296 4.497 1.00 0.00 O ATOM 476 OD2 ASP A 33 -7.718 3.210 4.534 1.00 0.00 O ATOM 0 H ASP A 33 -6.087 6.390 4.712 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.128 5.852 7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.110 3.541 6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.202 4.897 7.109 1.00 0.00 H new ATOM 481 N THR A 34 -3.913 4.843 7.151 1.00 0.00 N ATOM 482 CA THR A 34 -2.632 4.175 6.960 1.00 0.00 C ATOM 483 C THR A 34 -2.816 2.702 6.632 1.00 0.00 C ATOM 484 O THR A 34 -3.316 1.926 7.445 1.00 0.00 O ATOM 485 CB THR A 34 -1.752 4.320 8.189 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.530 4.568 9.348 1.00 0.00 O ATOM 487 CG2 THR A 34 -0.734 5.433 8.064 1.00 0.00 C ATOM 0 H THR A 34 -3.973 5.410 7.997 1.00 0.00 H new ATOM 0 HA THR A 34 -2.142 4.659 6.115 1.00 0.00 H new ATOM 0 HB THR A 34 -1.222 3.372 8.276 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.940 4.656 10.126 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.137 5.484 8.975 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.082 5.236 7.213 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.249 6.382 7.914 1.00 0.00 H new ATOM 495 N LEU A 35 -2.393 2.328 5.434 1.00 0.00 N ATOM 496 CA LEU A 35 -2.488 0.950 4.983 1.00 0.00 C ATOM 497 C LEU A 35 -1.181 0.226 5.262 1.00 0.00 C ATOM 498 O LEU A 35 -1.176 -0.899 5.759 1.00 0.00 O ATOM 499 CB LEU A 35 -2.814 0.895 3.489 1.00 0.00 C ATOM 500 CG LEU A 35 -4.215 1.383 3.117 1.00 0.00 C ATOM 501 CD1 LEU A 35 -4.440 1.266 1.617 1.00 0.00 C ATOM 502 CD2 LEU A 35 -5.271 0.595 3.878 1.00 0.00 C ATOM 0 H LEU A 35 -1.978 2.965 4.754 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.293 0.457 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.081 1.495 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.700 -0.133 3.145 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.300 2.433 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.442 1.618 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.703 1.872 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.336 0.224 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.262 0.954 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.186 -0.463 3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.122 0.728 4.950 1.00 0.00 H new ATOM 514 N ILE A 36 -0.069 0.892 4.956 1.00 0.00 N ATOM 515 CA ILE A 36 1.250 0.318 5.192 1.00 0.00 C ATOM 516 C ILE A 36 2.285 1.400 5.481 1.00 0.00 C ATOM 517 O ILE A 36 1.955 2.581 5.584 1.00 0.00 O ATOM 518 CB ILE A 36 1.734 -0.555 4.002 1.00 0.00 C ATOM 519 CG1 ILE A 36 1.713 0.196 2.658 1.00 0.00 C ATOM 520 CG2 ILE A 36 0.876 -1.800 3.899 1.00 0.00 C ATOM 521 CD1 ILE A 36 2.295 1.594 2.682 1.00 0.00 C ATOM 0 H ILE A 36 -0.057 1.826 4.546 1.00 0.00 H new ATOM 0 HA ILE A 36 1.149 -0.324 6.067 1.00 0.00 H new ATOM 0 HB ILE A 36 2.771 -0.821 4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.261 -0.394 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.681 0.257 2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.219 -2.410 3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.955 -2.373 4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.163 -1.513 3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.231 2.032 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.735 2.209 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.339 1.548 2.991 1.00 0.00 H new ATOM 533 N THR A 37 3.537 0.985 5.586 1.00 0.00 N ATOM 534 CA THR A 37 4.635 1.897 5.833 1.00 0.00 C ATOM 535 C THR A 37 5.896 1.353 5.174 1.00 0.00 C ATOM 536 O THR A 37 6.461 0.362 5.624 1.00 0.00 O ATOM 537 CB THR A 37 4.846 2.090 7.338 1.00 0.00 C ATOM 538 OG1 THR A 37 3.736 2.754 7.915 1.00 0.00 O ATOM 539 CG2 THR A 37 6.085 2.893 7.678 1.00 0.00 C ATOM 0 H THR A 37 3.817 0.008 5.502 1.00 0.00 H new ATOM 0 HA THR A 37 4.400 2.871 5.404 1.00 0.00 H new ATOM 0 HB THR A 37 4.965 1.085 7.742 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.886 2.868 8.877 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.170 2.990 8.760 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.967 2.384 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.011 3.884 7.230 1.00 0.00 H new ATOM 547 N LEU A 38 6.312 1.994 4.089 1.00 0.00 N ATOM 548 CA LEU A 38 7.493 1.564 3.350 1.00 0.00 C ATOM 549 C LEU A 38 8.742 2.287 3.848 1.00 0.00 C ATOM 550 O LEU A 38 8.662 3.415 4.333 1.00 0.00 O ATOM 551 CB LEU A 38 7.299 1.828 1.857 1.00 0.00 C ATOM 552 CG LEU A 38 6.335 0.879 1.146 1.00 0.00 C ATOM 553 CD1 LEU A 38 6.587 -0.559 1.563 1.00 0.00 C ATOM 554 CD2 LEU A 38 4.898 1.276 1.432 1.00 0.00 C ATOM 0 H LEU A 38 5.848 2.815 3.700 1.00 0.00 H new ATOM 0 HA LEU A 38 7.628 0.495 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.938 2.849 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.270 1.769 1.365 1.00 0.00 H new ATOM 0 HG LEU A 38 6.508 0.954 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.889 -1.216 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.609 -0.839 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.445 -0.656 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.222 0.591 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.715 1.230 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.724 2.292 1.077 1.00 0.00 H new ATOM 566 N GLU A 39 9.897 1.636 3.724 1.00 0.00 N ATOM 567 CA GLU A 39 11.155 2.233 4.160 1.00 0.00 C ATOM 568 C GLU A 39 12.336 1.627 3.410 1.00 0.00 C ATOM 569 O GLU A 39 12.297 0.468 3.002 1.00 0.00 O ATOM 570 CB GLU A 39 11.343 2.051 5.668 1.00 0.00 C ATOM 571 CG GLU A 39 12.603 2.709 6.207 1.00 0.00 C ATOM 572 CD GLU A 39 12.836 2.407 7.675 1.00 0.00 C ATOM 573 OE1 GLU A 39 11.906 1.896 8.332 1.00 0.00 O ATOM 574 OE2 GLU A 39 13.951 2.683 8.168 1.00 0.00 O ATOM 0 H GLU A 39 9.987 0.701 3.327 1.00 0.00 H new ATOM 0 HA GLU A 39 11.114 3.299 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.477 2.464 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.373 0.986 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.462 2.369 5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.533 3.788 6.068 1.00 0.00 H new ATOM 581 N THR A 40 13.384 2.425 3.229 1.00 0.00 N ATOM 582 CA THR A 40 14.578 1.974 2.525 1.00 0.00 C ATOM 583 C THR A 40 15.765 1.867 3.476 1.00 0.00 C ATOM 584 O THR A 40 16.326 0.789 3.668 1.00 0.00 O ATOM 585 CB THR A 40 14.903 2.930 1.376 1.00 0.00 C ATOM 586 OG1 THR A 40 15.630 4.053 1.844 1.00 0.00 O ATOM 587 CG2 THR A 40 13.672 3.447 0.663 1.00 0.00 C ATOM 0 H THR A 40 13.430 3.388 3.561 1.00 0.00 H new ATOM 0 HA THR A 40 14.381 0.983 2.117 1.00 0.00 H new ATOM 0 HB THR A 40 15.494 2.343 0.673 1.00 0.00 H new ATOM 0 HG1 THR A 40 15.829 4.650 1.093 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.972 4.119 -0.141 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.115 2.609 0.245 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.041 3.986 1.370 1.00 0.00 H new ATOM 595 N ASP A 41 16.143 2.994 4.066 1.00 0.00 N ATOM 596 CA ASP A 41 17.263 3.032 4.998 1.00 0.00 C ATOM 597 C ASP A 41 17.309 4.364 5.739 1.00 0.00 C ATOM 598 O ASP A 41 17.563 4.407 6.943 1.00 0.00 O ATOM 599 CB ASP A 41 18.580 2.802 4.254 1.00 0.00 C ATOM 600 CG ASP A 41 19.706 2.399 5.187 1.00 0.00 C ATOM 601 OD1 ASP A 41 19.823 3.004 6.274 1.00 0.00 O ATOM 602 OD2 ASP A 41 20.471 1.478 4.830 1.00 0.00 O ATOM 0 H ASP A 41 15.690 3.895 3.915 1.00 0.00 H new ATOM 0 HA ASP A 41 17.123 2.236 5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.439 2.026 3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 41 18.859 3.713 3.724 1.00 0.00 H new ATOM 607 N LYS A 42 17.062 5.449 5.013 1.00 0.00 N ATOM 608 CA LYS A 42 17.076 6.782 5.603 1.00 0.00 C ATOM 609 C LYS A 42 15.814 7.556 5.236 1.00 0.00 C ATOM 610 O LYS A 42 15.860 8.763 4.998 1.00 0.00 O ATOM 611 CB LYS A 42 18.315 7.554 5.143 1.00 0.00 C ATOM 612 CG LYS A 42 18.840 8.533 6.180 1.00 0.00 C ATOM 613 CD LYS A 42 19.599 7.818 7.286 1.00 0.00 C ATOM 614 CE LYS A 42 19.848 8.734 8.472 1.00 0.00 C ATOM 615 NZ LYS A 42 19.339 8.149 9.743 1.00 0.00 N ATOM 0 H LYS A 42 16.850 5.431 4.015 1.00 0.00 H new ATOM 0 HA LYS A 42 17.108 6.670 6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.104 6.844 4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 42 18.076 8.098 4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 42 19.495 9.259 5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.008 9.091 6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.033 6.945 7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 42 20.551 7.455 6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 42 20.917 8.927 8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.365 9.695 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 19.529 8.805 10.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 18.314 7.989 9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.818 7.244 9.925 1.00 0.00 H new ATOM 629 N ALA A 43 14.686 6.853 5.195 1.00 0.00 N ATOM 630 CA ALA A 43 13.410 7.473 4.860 1.00 0.00 C ATOM 631 C ALA A 43 12.275 6.457 4.920 1.00 0.00 C ATOM 632 O ALA A 43 12.275 5.468 4.187 1.00 0.00 O ATOM 633 CB ALA A 43 13.479 8.108 3.479 1.00 0.00 C ATOM 0 H ALA A 43 14.631 5.853 5.390 1.00 0.00 H new ATOM 0 HA ALA A 43 13.207 8.251 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.519 8.567 3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.259 8.870 3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.708 7.343 2.738 1.00 0.00 H new ATOM 639 N THR A 44 11.309 6.706 5.798 1.00 0.00 N ATOM 640 CA THR A 44 10.168 5.811 5.951 1.00 0.00 C ATOM 641 C THR A 44 8.880 6.486 5.493 1.00 0.00 C ATOM 642 O THR A 44 8.484 7.519 6.033 1.00 0.00 O ATOM 643 CB THR A 44 10.033 5.365 7.409 1.00 0.00 C ATOM 644 OG1 THR A 44 9.313 6.325 8.162 1.00 0.00 O ATOM 645 CG2 THR A 44 11.364 5.147 8.096 1.00 0.00 C ATOM 0 H THR A 44 11.293 7.519 6.414 1.00 0.00 H new ATOM 0 HA THR A 44 10.340 4.936 5.325 1.00 0.00 H new ATOM 0 HB THR A 44 9.503 4.413 7.371 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.127 7.107 7.602 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.195 4.832 9.126 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.924 4.375 7.568 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.933 6.076 8.090 1.00 0.00 H new ATOM 653 N MET A 45 8.230 5.896 4.495 1.00 0.00 N ATOM 654 CA MET A 45 6.985 6.442 3.966 1.00 0.00 C ATOM 655 C MET A 45 5.789 5.609 4.410 1.00 0.00 C ATOM 656 O MET A 45 5.915 4.415 4.681 1.00 0.00 O ATOM 657 CB MET A 45 7.038 6.502 2.438 1.00 0.00 C ATOM 658 CG MET A 45 7.387 7.879 1.897 1.00 0.00 C ATOM 659 SD MET A 45 6.050 8.611 0.934 1.00 0.00 S ATOM 660 CE MET A 45 4.804 8.839 2.200 1.00 0.00 C ATOM 0 H MET A 45 8.544 5.041 4.037 1.00 0.00 H new ATOM 0 HA MET A 45 6.867 7.451 4.360 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.774 5.782 2.079 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.072 6.197 2.037 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.633 8.539 2.729 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.278 7.804 1.274 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.196 9.711 1.959 1.00 0.00 H new ATOM 0 HE2 MET A 45 4.168 7.955 2.248 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.289 8.990 3.164 1.00 0.00 H new ATOM 670 N ASP A 46 4.626 6.247 4.478 1.00 0.00 N ATOM 671 CA ASP A 46 3.400 5.568 4.884 1.00 0.00 C ATOM 672 C ASP A 46 2.260 5.905 3.930 1.00 0.00 C ATOM 673 O ASP A 46 2.165 7.030 3.439 1.00 0.00 O ATOM 674 CB ASP A 46 3.021 5.963 6.312 1.00 0.00 C ATOM 675 CG ASP A 46 3.045 7.464 6.524 1.00 0.00 C ATOM 676 OD1 ASP A 46 2.174 8.158 5.957 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.934 7.946 7.257 1.00 0.00 O ATOM 0 H ASP A 46 4.506 7.235 4.257 1.00 0.00 H new ATOM 0 HA ASP A 46 3.577 4.493 4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.025 5.583 6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.710 5.489 7.012 1.00 0.00 H new ATOM 682 N VAL A 47 1.395 4.930 3.670 1.00 0.00 N ATOM 683 CA VAL A 47 0.268 5.142 2.773 1.00 0.00 C ATOM 684 C VAL A 47 -1.038 5.253 3.552 1.00 0.00 C ATOM 685 O VAL A 47 -1.540 4.258 4.074 1.00 0.00 O ATOM 686 CB VAL A 47 0.143 4.003 1.739 1.00 0.00 C ATOM 687 CG1 VAL A 47 -1.103 4.186 0.876 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.392 3.933 0.871 1.00 0.00 C ATOM 0 H VAL A 47 1.453 3.992 4.065 1.00 0.00 H new ATOM 0 HA VAL A 47 0.457 6.077 2.246 1.00 0.00 H new ATOM 0 HB VAL A 47 0.044 3.061 2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.169 3.371 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.989 4.182 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.042 5.136 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.287 3.125 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.522 4.878 0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.262 3.746 1.500 1.00 0.00 H new ATOM 698 N PRO A 48 -1.611 6.470 3.635 1.00 0.00 N ATOM 699 CA PRO A 48 -2.862 6.713 4.343 1.00 0.00 C ATOM 700 C PRO A 48 -4.085 6.506 3.454 1.00 0.00 C ATOM 701 O PRO A 48 -5.065 7.243 3.556 1.00 0.00 O ATOM 702 CB PRO A 48 -2.732 8.178 4.736 1.00 0.00 C ATOM 703 CG PRO A 48 -1.965 8.798 3.616 1.00 0.00 C ATOM 704 CD PRO A 48 -1.082 7.713 3.041 1.00 0.00 C ATOM 0 HA PRO A 48 -3.009 6.031 5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.709 8.646 4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.208 8.289 5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.640 9.191 2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.366 9.635 3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.136 7.690 1.953 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.036 7.868 3.305 1.00 0.00 H new ATOM 712 N ALA A 49 -4.025 5.501 2.582 1.00 0.00 N ATOM 713 CA ALA A 49 -5.132 5.203 1.675 1.00 0.00 C ATOM 714 C ALA A 49 -5.686 6.474 1.039 1.00 0.00 C ATOM 715 O ALA A 49 -6.526 7.159 1.624 1.00 0.00 O ATOM 716 CB ALA A 49 -6.233 4.458 2.413 1.00 0.00 C ATOM 0 H ALA A 49 -3.222 4.880 2.484 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.749 4.568 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.051 4.243 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.837 3.523 2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.602 5.073 3.234 1.00 0.00 H new ATOM 722 N GLU A 50 -5.208 6.786 -0.159 1.00 0.00 N ATOM 723 CA GLU A 50 -5.653 7.978 -0.869 1.00 0.00 C ATOM 724 C GLU A 50 -6.894 7.694 -1.695 1.00 0.00 C ATOM 725 O GLU A 50 -6.923 7.952 -2.897 1.00 0.00 O ATOM 726 CB GLU A 50 -4.533 8.515 -1.764 1.00 0.00 C ATOM 727 CG GLU A 50 -3.730 9.638 -1.128 1.00 0.00 C ATOM 728 CD GLU A 50 -2.357 9.797 -1.749 1.00 0.00 C ATOM 729 OE1 GLU A 50 -2.237 10.549 -2.740 1.00 0.00 O ATOM 730 OE2 GLU A 50 -1.401 9.170 -1.246 1.00 0.00 O ATOM 0 H GLU A 50 -4.513 6.231 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.907 8.735 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.859 7.697 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.966 8.873 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.280 10.574 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.622 9.443 -0.061 1.00 0.00 H new ATOM 737 N VAL A 51 -7.917 7.151 -1.038 1.00 0.00 N ATOM 738 CA VAL A 51 -9.172 6.809 -1.703 1.00 0.00 C ATOM 739 C VAL A 51 -9.976 5.821 -0.857 1.00 0.00 C ATOM 740 O VAL A 51 -9.416 4.907 -0.254 1.00 0.00 O ATOM 741 CB VAL A 51 -8.908 6.200 -3.108 1.00 0.00 C ATOM 742 CG1 VAL A 51 -7.712 5.256 -3.064 1.00 0.00 C ATOM 743 CG2 VAL A 51 -10.142 5.487 -3.660 1.00 0.00 C ATOM 0 H VAL A 51 -7.900 6.938 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.747 7.727 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.680 7.022 -3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.541 4.838 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.826 5.805 -2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.912 4.448 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.915 5.076 -4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.427 4.679 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.965 6.197 -3.745 1.00 0.00 H new ATOM 753 N ALA A 52 -11.294 6.003 -0.834 1.00 0.00 N ATOM 754 CA ALA A 52 -12.176 5.117 -0.084 1.00 0.00 C ATOM 755 C ALA A 52 -12.489 3.882 -0.905 1.00 0.00 C ATOM 756 O ALA A 52 -11.789 3.580 -1.861 1.00 0.00 O ATOM 757 CB ALA A 52 -13.471 5.828 0.277 1.00 0.00 C ATOM 0 H ALA A 52 -11.773 6.757 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.668 4.825 0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.115 5.149 0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.248 6.703 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.980 6.142 -0.634 1.00 0.00 H new ATOM 763 N GLY A 53 -13.542 3.170 -0.526 1.00 0.00 N ATOM 764 CA GLY A 53 -13.928 1.983 -1.258 1.00 0.00 C ATOM 765 C GLY A 53 -13.610 0.697 -0.517 1.00 0.00 C ATOM 766 O GLY A 53 -13.693 0.642 0.709 1.00 0.00 O ATOM 0 H GLY A 53 -14.134 3.394 0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.998 2.022 -1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.418 1.976 -2.221 1.00 0.00 H new ATOM 770 N VAL A 54 -13.244 -0.339 -1.267 1.00 0.00 N ATOM 771 CA VAL A 54 -12.911 -1.635 -0.683 1.00 0.00 C ATOM 772 C VAL A 54 -11.800 -2.318 -1.474 1.00 0.00 C ATOM 773 O VAL A 54 -11.798 -2.281 -2.701 1.00 0.00 O ATOM 774 CB VAL A 54 -14.139 -2.564 -0.648 1.00 0.00 C ATOM 775 CG1 VAL A 54 -13.799 -3.876 0.042 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.309 -1.879 0.041 1.00 0.00 C ATOM 0 H VAL A 54 -13.170 -0.306 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.573 -1.449 0.336 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.431 -2.786 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.680 -4.518 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.995 -4.374 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.478 -3.677 1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.167 -2.551 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.030 -1.624 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.569 -0.970 -0.502 1.00 0.00 H new ATOM 786 N VAL A 55 -10.854 -2.940 -0.772 1.00 0.00 N ATOM 787 CA VAL A 55 -9.748 -3.619 -1.439 1.00 0.00 C ATOM 788 C VAL A 55 -10.179 -4.951 -2.033 1.00 0.00 C ATOM 789 O VAL A 55 -11.029 -5.652 -1.483 1.00 0.00 O ATOM 790 CB VAL A 55 -8.557 -3.874 -0.493 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.413 -4.548 -1.248 1.00 0.00 C ATOM 792 CG2 VAL A 55 -8.091 -2.574 0.143 1.00 0.00 C ATOM 0 H VAL A 55 -10.832 -2.987 0.247 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.433 -2.945 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.884 -4.543 0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.580 -4.721 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.755 -5.501 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.086 -3.904 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.250 -2.775 0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.780 -1.879 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.908 -2.135 0.715 1.00 0.00 H new ATOM 802 N LYS A 56 -9.558 -5.297 -3.151 1.00 0.00 N ATOM 803 CA LYS A 56 -9.833 -6.551 -3.832 1.00 0.00 C ATOM 804 C LYS A 56 -8.564 -7.368 -3.896 1.00 0.00 C ATOM 805 O LYS A 56 -8.554 -8.562 -3.593 1.00 0.00 O ATOM 806 CB LYS A 56 -10.341 -6.335 -5.267 1.00 0.00 C ATOM 807 CG LYS A 56 -10.698 -4.898 -5.625 1.00 0.00 C ATOM 808 CD LYS A 56 -12.204 -4.703 -5.697 1.00 0.00 C ATOM 809 CE LYS A 56 -12.751 -4.091 -4.418 1.00 0.00 C ATOM 810 NZ LYS A 56 -14.137 -4.554 -4.128 1.00 0.00 N ATOM 0 H LYS A 56 -8.853 -4.719 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.611 -7.066 -3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.577 -6.685 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.221 -6.959 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.277 -4.221 -4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.249 -4.638 -6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.448 -4.059 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.688 -5.663 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.100 -4.351 -3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.742 -3.004 -4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.677 -3.781 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.600 -4.841 -5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.103 -5.365 -3.477 1.00 0.00 H new ATOM 824 N GLU A 57 -7.489 -6.710 -4.312 1.00 0.00 N ATOM 825 CA GLU A 57 -6.211 -7.369 -4.437 1.00 0.00 C ATOM 826 C GLU A 57 -5.227 -6.896 -3.371 1.00 0.00 C ATOM 827 O GLU A 57 -5.502 -5.956 -2.625 1.00 0.00 O ATOM 828 CB GLU A 57 -5.627 -7.140 -5.831 1.00 0.00 C ATOM 829 CG GLU A 57 -6.028 -8.202 -6.842 1.00 0.00 C ATOM 830 CD GLU A 57 -5.635 -7.836 -8.259 1.00 0.00 C ATOM 831 OE1 GLU A 57 -4.510 -8.191 -8.673 1.00 0.00 O ATOM 832 OE2 GLU A 57 -6.449 -7.195 -8.955 1.00 0.00 O ATOM 0 H GLU A 57 -7.485 -5.722 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.376 -8.436 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.949 -6.164 -6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.540 -7.111 -5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.561 -9.149 -6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.106 -8.354 -6.796 1.00 0.00 H new ATOM 839 N VAL A 58 -4.077 -7.561 -3.310 1.00 0.00 N ATOM 840 CA VAL A 58 -3.039 -7.225 -2.343 1.00 0.00 C ATOM 841 C VAL A 58 -1.712 -7.863 -2.731 1.00 0.00 C ATOM 842 O VAL A 58 -1.666 -9.021 -3.144 1.00 0.00 O ATOM 843 CB VAL A 58 -3.415 -7.699 -0.929 1.00 0.00 C ATOM 844 CG1 VAL A 58 -3.627 -9.205 -0.915 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.344 -7.293 0.070 1.00 0.00 C ATOM 0 H VAL A 58 -3.840 -8.341 -3.924 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.943 -6.139 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.350 -7.220 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.892 -9.526 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.432 -9.466 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.709 -9.705 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.626 -7.636 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.393 -7.744 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.244 -6.208 0.075 1.00 0.00 H new ATOM 855 N LYS A 59 -0.638 -7.100 -2.592 1.00 0.00 N ATOM 856 CA LYS A 59 0.694 -7.586 -2.925 1.00 0.00 C ATOM 857 C LYS A 59 1.743 -6.869 -2.092 1.00 0.00 C ATOM 858 O LYS A 59 2.538 -6.084 -2.610 1.00 0.00 O ATOM 859 CB LYS A 59 0.971 -7.383 -4.412 1.00 0.00 C ATOM 860 CG LYS A 59 0.144 -8.291 -5.307 1.00 0.00 C ATOM 861 CD LYS A 59 -1.066 -7.564 -5.873 1.00 0.00 C ATOM 862 CE LYS A 59 -0.812 -7.075 -7.289 1.00 0.00 C ATOM 863 NZ LYS A 59 -0.979 -8.163 -8.292 1.00 0.00 N ATOM 0 H LYS A 59 -0.663 -6.139 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 59 0.742 -8.652 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.769 -6.344 -4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.029 -7.560 -4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.763 -8.660 -6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.186 -9.161 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.928 -8.231 -5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.314 -6.717 -5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.498 -6.260 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.198 -6.670 -7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.797 -7.788 -9.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.307 -8.930 -8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.950 -8.532 -8.245 1.00 0.00 H new ATOM 877 N VAL A 60 1.732 -7.136 -0.793 1.00 0.00 N ATOM 878 CA VAL A 60 2.670 -6.509 0.124 1.00 0.00 C ATOM 879 C VAL A 60 2.610 -7.178 1.497 1.00 0.00 C ATOM 880 O VAL A 60 1.581 -7.727 1.891 1.00 0.00 O ATOM 881 CB VAL A 60 2.394 -4.982 0.241 1.00 0.00 C ATOM 882 CG1 VAL A 60 0.902 -4.696 0.134 1.00 0.00 C ATOM 883 CG2 VAL A 60 2.966 -4.390 1.529 1.00 0.00 C ATOM 0 H VAL A 60 1.081 -7.785 -0.351 1.00 0.00 H new ATOM 0 HA VAL A 60 3.675 -6.640 -0.276 1.00 0.00 H new ATOM 0 HB VAL A 60 2.905 -4.497 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.730 -3.623 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.532 -5.048 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.374 -5.212 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.749 -3.322 1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.512 -4.883 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.045 -4.542 1.551 1.00 0.00 H new ATOM 893 N LYS A 61 3.725 -7.124 2.210 1.00 0.00 N ATOM 894 CA LYS A 61 3.822 -7.720 3.537 1.00 0.00 C ATOM 895 C LYS A 61 5.140 -7.335 4.201 1.00 0.00 C ATOM 896 O LYS A 61 5.841 -6.441 3.731 1.00 0.00 O ATOM 897 CB LYS A 61 3.707 -9.242 3.444 1.00 0.00 C ATOM 898 CG LYS A 61 2.420 -9.791 4.036 1.00 0.00 C ATOM 899 CD LYS A 61 2.683 -10.550 5.326 1.00 0.00 C ATOM 900 CE LYS A 61 1.534 -10.393 6.309 1.00 0.00 C ATOM 901 NZ LYS A 61 1.829 -11.041 7.616 1.00 0.00 N ATOM 0 H LYS A 61 4.581 -6.671 1.891 1.00 0.00 H new ATOM 0 HA LYS A 61 3.001 -7.340 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.772 -9.540 2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.555 -9.694 3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.728 -8.971 4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.939 -10.452 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.831 -11.607 5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.605 -10.188 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.333 -9.333 6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.630 -10.829 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.021 -10.911 8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.996 -12.057 7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.677 -10.608 8.035 1.00 0.00 H new ATOM 915 N VAL A 62 5.473 -8.013 5.292 1.00 0.00 N ATOM 916 CA VAL A 62 6.708 -7.734 6.012 1.00 0.00 C ATOM 917 C VAL A 62 7.764 -8.798 5.733 1.00 0.00 C ATOM 918 O VAL A 62 7.842 -9.807 6.433 1.00 0.00 O ATOM 919 CB VAL A 62 6.467 -7.651 7.531 1.00 0.00 C ATOM 920 CG1 VAL A 62 7.763 -7.343 8.264 1.00 0.00 C ATOM 921 CG2 VAL A 62 5.407 -6.605 7.846 1.00 0.00 C ATOM 0 H VAL A 62 4.906 -8.758 5.697 1.00 0.00 H new ATOM 0 HA VAL A 62 7.068 -6.769 5.655 1.00 0.00 H new ATOM 0 HB VAL A 62 6.105 -8.620 7.875 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.571 -7.289 9.336 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.490 -8.131 8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.159 -6.388 7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.249 -6.560 8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.739 -5.631 7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.473 -6.874 7.354 1.00 0.00 H new ATOM 931 N GLY A 63 8.578 -8.567 4.706 1.00 0.00 N ATOM 932 CA GLY A 63 9.618 -9.517 4.358 1.00 0.00 C ATOM 933 C GLY A 63 10.002 -9.461 2.890 1.00 0.00 C ATOM 934 O GLY A 63 11.080 -9.916 2.507 1.00 0.00 O ATOM 0 H GLY A 63 8.535 -7.740 4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.501 -9.321 4.967 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.280 -10.524 4.602 1.00 0.00 H new ATOM 938 N ASP A 64 9.120 -8.906 2.066 1.00 0.00 N ATOM 939 CA ASP A 64 9.377 -8.800 0.633 1.00 0.00 C ATOM 940 C ASP A 64 9.888 -7.409 0.268 1.00 0.00 C ATOM 941 O ASP A 64 9.816 -6.478 1.072 1.00 0.00 O ATOM 942 CB ASP A 64 8.106 -9.112 -0.160 1.00 0.00 C ATOM 943 CG ASP A 64 6.878 -8.446 0.428 1.00 0.00 C ATOM 944 OD1 ASP A 64 6.458 -8.846 1.534 1.00 0.00 O ATOM 945 OD2 ASP A 64 6.335 -7.524 -0.218 1.00 0.00 O ATOM 0 H ASP A 64 8.223 -8.523 2.364 1.00 0.00 H new ATOM 0 HA ASP A 64 10.147 -9.528 0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.235 -8.784 -1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.953 -10.191 -0.186 1.00 0.00 H new ATOM 950 N LYS A 65 10.401 -7.275 -0.951 1.00 0.00 N ATOM 951 CA LYS A 65 10.922 -5.999 -1.429 1.00 0.00 C ATOM 952 C LYS A 65 9.917 -5.318 -2.351 1.00 0.00 C ATOM 953 O LYS A 65 9.337 -5.954 -3.230 1.00 0.00 O ATOM 954 CB LYS A 65 12.247 -6.207 -2.165 1.00 0.00 C ATOM 955 CG LYS A 65 13.430 -6.432 -1.237 1.00 0.00 C ATOM 956 CD LYS A 65 13.614 -7.907 -0.919 1.00 0.00 C ATOM 957 CE LYS A 65 13.607 -8.157 0.580 1.00 0.00 C ATOM 958 NZ LYS A 65 13.244 -9.563 0.907 1.00 0.00 N ATOM 0 H LYS A 65 10.467 -8.036 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 65 11.093 -5.357 -0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.152 -7.063 -2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.446 -5.336 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.337 -6.042 -1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.280 -5.875 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.818 -8.484 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.555 -8.257 -1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.591 -7.932 0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.900 -7.479 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.275 -9.593 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.300 -10.145 0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.903 -9.935 1.620 1.00 0.00 H new ATOM 972 N ILE A 66 9.711 -4.022 -2.140 1.00 0.00 N ATOM 973 CA ILE A 66 8.770 -3.258 -2.947 1.00 0.00 C ATOM 974 C ILE A 66 9.430 -1.996 -3.516 1.00 0.00 C ATOM 975 O ILE A 66 10.478 -1.568 -3.044 1.00 0.00 O ATOM 976 CB ILE A 66 7.492 -2.917 -2.116 1.00 0.00 C ATOM 977 CG1 ILE A 66 6.253 -3.419 -2.852 1.00 0.00 C ATOM 978 CG2 ILE A 66 7.361 -1.429 -1.798 1.00 0.00 C ATOM 979 CD1 ILE A 66 6.337 -4.882 -3.213 1.00 0.00 C ATOM 0 H ILE A 66 10.184 -3.480 -1.417 1.00 0.00 H new ATOM 0 HA ILE A 66 8.464 -3.870 -3.795 1.00 0.00 H new ATOM 0 HB ILE A 66 7.587 -3.425 -1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.374 -3.254 -2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.114 -2.833 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.453 -1.259 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.226 -1.103 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.310 -0.861 -2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.428 -5.181 -3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.198 -5.048 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.447 -5.475 -2.305 1.00 0.00 H new ATOM 991 N SER A 67 8.808 -1.410 -4.533 1.00 0.00 N ATOM 992 CA SER A 67 9.344 -0.205 -5.159 1.00 0.00 C ATOM 993 C SER A 67 8.223 0.715 -5.630 1.00 0.00 C ATOM 994 O SER A 67 7.174 0.252 -6.078 1.00 0.00 O ATOM 995 CB SER A 67 10.238 -0.579 -6.341 1.00 0.00 C ATOM 996 OG SER A 67 11.000 -1.740 -6.057 1.00 0.00 O ATOM 0 H SER A 67 7.936 -1.747 -4.941 1.00 0.00 H new ATOM 0 HA SER A 67 9.934 0.328 -4.413 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.624 -0.750 -7.225 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.906 0.251 -6.573 1.00 0.00 H new ATOM 0 HG SER A 67 11.348 -2.116 -6.893 1.00 0.00 H new ATOM 1002 N GLU A 68 8.454 2.025 -5.529 1.00 0.00 N ATOM 1003 CA GLU A 68 7.467 3.023 -5.949 1.00 0.00 C ATOM 1004 C GLU A 68 6.788 2.618 -7.257 1.00 0.00 C ATOM 1005 O GLU A 68 7.391 2.689 -8.328 1.00 0.00 O ATOM 1006 CB GLU A 68 8.129 4.394 -6.111 1.00 0.00 C ATOM 1007 CG GLU A 68 9.492 4.347 -6.785 1.00 0.00 C ATOM 1008 CD GLU A 68 9.432 4.736 -8.249 1.00 0.00 C ATOM 1009 OE1 GLU A 68 8.831 5.785 -8.560 1.00 0.00 O ATOM 1010 OE2 GLU A 68 9.987 3.991 -9.085 1.00 0.00 O ATOM 0 H GLU A 68 9.318 2.421 -5.159 1.00 0.00 H new ATOM 0 HA GLU A 68 6.705 3.081 -5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.469 5.038 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.237 4.853 -5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.175 5.017 -6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.902 3.341 -6.697 1.00 0.00 H new ATOM 1017 N GLY A 69 5.534 2.191 -7.158 1.00 0.00 N ATOM 1018 CA GLY A 69 4.795 1.777 -8.335 1.00 0.00 C ATOM 1019 C GLY A 69 4.874 0.282 -8.577 1.00 0.00 C ATOM 1020 O GLY A 69 5.525 -0.165 -9.522 1.00 0.00 O ATOM 0 H GLY A 69 5.016 2.124 -6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.751 2.069 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.183 2.304 -9.207 1.00 0.00 H new ATOM 1024 N GLY A 70 4.211 -0.494 -7.723 1.00 0.00 N ATOM 1025 CA GLY A 70 4.225 -1.938 -7.874 1.00 0.00 C ATOM 1026 C GLY A 70 2.845 -2.548 -7.727 1.00 0.00 C ATOM 1027 O GLY A 70 2.712 -3.738 -7.440 1.00 0.00 O ATOM 0 H GLY A 70 3.666 -0.150 -6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.630 -2.194 -8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.892 -2.372 -7.129 1.00 0.00 H new ATOM 1031 N LEU A 71 1.815 -1.730 -7.923 1.00 0.00 N ATOM 1032 CA LEU A 71 0.434 -2.190 -7.810 1.00 0.00 C ATOM 1033 C LEU A 71 0.232 -2.999 -6.532 1.00 0.00 C ATOM 1034 O LEU A 71 -0.146 -4.169 -6.577 1.00 0.00 O ATOM 1035 CB LEU A 71 0.048 -3.030 -9.032 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.352 -3.655 -8.987 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.365 -2.686 -8.391 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.785 -4.082 -10.382 1.00 0.00 C ATOM 0 H LEU A 71 1.911 -0.743 -8.161 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.211 -1.313 -7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.118 -2.402 -9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.780 -3.829 -9.148 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.310 -4.536 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.349 -3.155 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.066 -2.426 -7.375 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.406 -1.783 -8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.780 -4.524 -10.335 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.805 -3.212 -11.039 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.080 -4.816 -10.773 1.00 0.00 H new ATOM 1050 N ILE A 72 0.489 -2.364 -5.395 1.00 0.00 N ATOM 1051 CA ILE A 72 0.337 -3.020 -4.106 1.00 0.00 C ATOM 1052 C ILE A 72 -1.052 -3.650 -3.979 1.00 0.00 C ATOM 1053 O ILE A 72 -1.205 -4.865 -4.096 1.00 0.00 O ATOM 1054 CB ILE A 72 0.604 -2.020 -2.948 1.00 0.00 C ATOM 1055 CG1 ILE A 72 2.098 -1.988 -2.638 1.00 0.00 C ATOM 1056 CG2 ILE A 72 -0.185 -2.365 -1.681 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.573 -0.654 -2.121 1.00 0.00 C ATOM 0 H ILE A 72 0.804 -1.395 -5.341 1.00 0.00 H new ATOM 0 HA ILE A 72 1.075 -3.819 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 72 0.266 -1.038 -3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.325 -2.757 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.655 -2.239 -3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.038 -1.635 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.252 -2.346 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.097 -3.360 -1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.643 -0.701 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.377 0.116 -2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.042 -0.411 -1.200 1.00 0.00 H new ATOM 1069 N VAL A 73 -2.056 -2.815 -3.732 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.423 -3.299 -3.581 1.00 0.00 C ATOM 1071 C VAL A 73 -4.397 -2.512 -4.453 1.00 0.00 C ATOM 1072 O VAL A 73 -4.208 -1.321 -4.700 1.00 0.00 O ATOM 1073 CB VAL A 73 -3.888 -3.218 -2.114 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -2.945 -3.994 -1.209 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -3.993 -1.768 -1.665 1.00 0.00 C ATOM 0 H VAL A 73 -1.950 -1.805 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.420 -4.341 -3.901 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.877 -3.670 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.291 -3.924 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.925 -5.040 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.942 -3.575 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.323 -1.732 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.018 -1.288 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.713 -1.244 -2.293 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.443 -3.193 -4.904 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.469 -2.578 -5.739 1.00 0.00 C ATOM 1087 C VAL A 74 -7.801 -2.563 -5.000 1.00 0.00 C ATOM 1088 O VAL A 74 -8.190 -3.560 -4.392 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.631 -3.341 -7.068 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -7.715 -2.715 -7.933 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.308 -3.391 -7.817 1.00 0.00 C ATOM 0 H VAL A 74 -5.604 -4.180 -4.704 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.158 -1.557 -5.959 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.937 -4.361 -6.836 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.806 -3.275 -8.864 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.665 -2.740 -7.400 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.451 -1.681 -8.156 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.440 -3.933 -8.753 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.972 -2.376 -8.030 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.563 -3.899 -7.205 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.490 -1.428 -5.033 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.759 -1.302 -4.344 1.00 0.00 C ATOM 1103 C VAL A 75 -10.892 -0.924 -5.289 1.00 0.00 C ATOM 1104 O VAL A 75 -10.682 -0.716 -6.484 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.670 -0.252 -3.228 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -8.664 -0.677 -2.171 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -9.307 1.109 -3.801 1.00 0.00 C ATOM 0 H VAL A 75 -8.189 -0.588 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.978 -2.281 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.648 -0.172 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.616 0.081 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.973 -1.628 -1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.681 -0.789 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -9.249 1.840 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.342 1.046 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.070 1.418 -4.516 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.096 -0.835 -4.732 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.278 -0.480 -5.504 1.00 0.00 C ATOM 1119 C GLU A 76 -13.376 1.031 -5.653 1.00 0.00 C ATOM 1120 O GLU A 76 -13.842 1.536 -6.675 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.538 -1.023 -4.826 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.391 -1.891 -5.736 1.00 0.00 C ATOM 1123 CD GLU A 76 -16.804 -2.068 -5.215 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -16.959 -2.387 -4.017 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -17.755 -1.887 -6.004 1.00 0.00 O ATOM 0 H GLU A 76 -12.277 -1.005 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.192 -0.926 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.248 -1.604 -3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.138 -0.186 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.427 -1.444 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.922 -2.869 -5.844 1.00 0.00 H new ATOM 1132 N ALA A 77 -12.928 1.746 -4.625 1.00 0.00 N ATOM 1133 CA ALA A 77 -12.953 3.198 -4.633 1.00 0.00 C ATOM 1134 C ALA A 77 -14.371 3.729 -4.531 1.00 0.00 C ATOM 1135 O ALA A 77 -14.685 4.812 -5.026 1.00 0.00 O ATOM 1136 CB ALA A 77 -12.255 3.728 -5.860 1.00 0.00 C ATOM 0 H ALA A 77 -12.542 1.337 -3.774 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.414 3.552 -3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.282 4.818 -5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.219 3.391 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.759 3.359 -6.753 1.00 0.00 H new ATOM 1142 N GLU A 78 -15.217 2.958 -3.866 1.00 0.00 N ATOM 1143 CA GLU A 78 -16.608 3.331 -3.659 1.00 0.00 C ATOM 1144 C GLU A 78 -16.705 4.755 -3.137 1.00 0.00 C ATOM 1145 O GLU A 78 -17.196 5.655 -3.820 1.00 0.00 O ATOM 1146 CB GLU A 78 -17.251 2.382 -2.651 1.00 0.00 C ATOM 1147 CG GLU A 78 -18.637 1.908 -3.054 1.00 0.00 C ATOM 1148 CD GLU A 78 -19.666 2.120 -1.962 1.00 0.00 C ATOM 1149 OE1 GLU A 78 -19.265 2.242 -0.784 1.00 0.00 O ATOM 1150 OE2 GLU A 78 -20.872 2.164 -2.282 1.00 0.00 O ATOM 0 H GLU A 78 -14.961 2.060 -3.456 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.130 3.266 -4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.604 1.514 -2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.315 2.882 -1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -18.952 2.439 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -18.595 0.849 -3.308 1.00 0.00 H new ATOM 1157 N GLY A 79 -16.225 4.943 -1.916 1.00 0.00 N ATOM 1158 CA GLY A 79 -16.246 6.248 -1.289 1.00 0.00 C ATOM 1159 C GLY A 79 -17.565 6.975 -1.474 1.00 0.00 C ATOM 1160 O GLY A 79 -17.761 7.678 -2.466 1.00 0.00 O ATOM 0 H GLY A 79 -15.817 4.205 -1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.046 6.136 -0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.441 6.856 -1.702 1.00 0.00 H new ATOM 1164 N THR A 80 -18.472 6.804 -0.518 1.00 0.00 N ATOM 1165 CA THR A 80 -19.779 7.449 -0.580 1.00 0.00 C ATOM 1166 C THR A 80 -19.998 8.354 0.628 1.00 0.00 C ATOM 1167 O THR A 80 -20.369 7.888 1.705 1.00 0.00 O ATOM 1168 CB THR A 80 -20.888 6.398 -0.652 1.00 0.00 C ATOM 1169 OG1 THR A 80 -21.132 5.839 0.626 1.00 0.00 O ATOM 1170 CG2 THR A 80 -20.574 5.259 -1.598 1.00 0.00 C ATOM 0 H THR A 80 -18.326 6.225 0.309 1.00 0.00 H new ATOM 0 HA THR A 80 -19.810 8.062 -1.481 1.00 0.00 H new ATOM 0 HB THR A 80 -21.764 6.928 -1.026 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.334 6.556 1.263 1.00 0.00 H new ATOM 0 HG21 THR A 80 -21.402 4.550 -1.601 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.429 5.651 -2.604 1.00 0.00 H new ATOM 0 HG23 THR A 80 -19.665 4.754 -1.271 1.00 0.00 H new ATOM 1178 N ALA A 81 -19.767 9.648 0.442 1.00 0.00 N ATOM 1179 CA ALA A 81 -19.939 10.618 1.516 1.00 0.00 C ATOM 1180 C ALA A 81 -21.184 11.470 1.292 1.00 0.00 C ATOM 1181 O ALA A 81 -21.428 12.387 2.105 1.00 0.00 O ATOM 1182 CB ALA A 81 -18.706 11.502 1.631 1.00 0.00 C ATOM 1183 OXT ALA A 81 -21.907 11.212 0.307 1.00 0.00 O ATOM 0 H ALA A 81 -19.460 10.050 -0.444 1.00 0.00 H new ATOM 0 HA ALA A 81 -20.068 10.070 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -18.848 12.222 2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -17.834 10.884 1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -18.551 12.034 0.692 1.00 0.00 H new TER 1189 ALA A 81