USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 540 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 70 LYS NZ :NH3+ -175:sc= 1.09 (180deg=-0.0886) USER MOD Set 1.2: A 74 TYR OH : rot 30:sc= 0.993 USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 9 ASN : amide:sc= 0.797 K(o=1.7,f=-5.5!) USER MOD Set 3.2: A 12 LYS NZ :NH3+ 170:sc= 0.944 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00507) USER MOD Single : A 6 LYS NZ :NH3+ -149:sc= 1.04 (180deg=0.435) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0.0165 USER MOD Single : A 53 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.31) USER MOD Single : A 54 ASN : amide:sc= 1.2 K(o=1.2,f=-0.019) USER MOD Single : A 61 SER OG : rot 23:sc= 0.0674 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.055 X(o=-0.055,f=-0.055) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.472 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0.739 K(o=0.74,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.126 X(o=0.13,f=-0.043) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 1 -50.751 -11.226 -5.965 1.00 0.00 N ATOM 77 CA MET A 1 -49.512 -10.963 -5.214 1.00 0.00 C ATOM 78 C MET A 1 -48.459 -12.034 -5.540 1.00 0.00 C ATOM 79 O MET A 1 -48.782 -13.222 -5.607 1.00 0.00 O ATOM 80 CB MET A 1 -49.779 -10.944 -3.696 1.00 0.00 C ATOM 81 CG MET A 1 -50.650 -9.767 -3.244 1.00 0.00 C ATOM 82 SD MET A 1 -50.851 -9.646 -1.445 1.00 0.00 S ATOM 83 CE MET A 1 -51.843 -8.130 -1.359 1.00 0.00 C ATOM 0 H1 MET A 1 -51.444 -10.478 -5.764 1.00 0.00 H new ATOM 0 H2 MET A 1 -50.543 -11.240 -6.984 1.00 0.00 H new ATOM 0 H3 MET A 1 -51.142 -12.146 -5.679 1.00 0.00 H new ATOM 0 HA MET A 1 -49.138 -9.984 -5.512 1.00 0.00 H new ATOM 0 HB2 MET A 1 -50.265 -11.877 -3.409 1.00 0.00 H new ATOM 0 HB3 MET A 1 -48.826 -10.905 -3.168 1.00 0.00 H new ATOM 0 HG2 MET A 1 -50.211 -8.840 -3.613 1.00 0.00 H new ATOM 0 HG3 MET A 1 -51.634 -9.859 -3.704 1.00 0.00 H new ATOM 0 HE1 MET A 1 -52.064 -7.899 -0.317 1.00 0.00 H new ATOM 0 HE2 MET A 1 -51.286 -7.305 -1.804 1.00 0.00 H new ATOM 0 HE3 MET A 1 -52.776 -8.274 -1.905 1.00 0.00 H new ATOM 93 N ASP A 2 -47.197 -11.627 -5.723 1.00 0.00 N ATOM 94 CA ASP A 2 -46.088 -12.504 -6.146 1.00 0.00 C ATOM 95 C ASP A 2 -44.800 -12.328 -5.292 1.00 0.00 C ATOM 96 O ASP A 2 -43.734 -12.003 -5.830 1.00 0.00 O ATOM 97 CB ASP A 2 -45.829 -12.288 -7.652 1.00 0.00 C ATOM 98 CG ASP A 2 -47.065 -12.573 -8.526 1.00 0.00 C ATOM 99 OD1 ASP A 2 -47.329 -13.757 -8.852 1.00 0.00 O ATOM 100 OD2 ASP A 2 -47.767 -11.609 -8.918 1.00 0.00 O ATOM 0 H ASP A 2 -46.908 -10.659 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 2 -46.386 -13.538 -5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -45.506 -11.260 -7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -45.010 -12.934 -7.970 1.00 0.00 H new ATOM 105 N PRO A 3 -44.847 -12.511 -3.952 1.00 0.00 N ATOM 106 CA PRO A 3 -43.697 -12.284 -3.063 1.00 0.00 C ATOM 107 C PRO A 3 -42.641 -13.404 -3.055 1.00 0.00 C ATOM 108 O PRO A 3 -41.591 -13.253 -2.428 1.00 0.00 O ATOM 109 CB PRO A 3 -44.314 -12.061 -1.678 1.00 0.00 C ATOM 110 CG PRO A 3 -45.537 -12.973 -1.710 1.00 0.00 C ATOM 111 CD PRO A 3 -46.026 -12.827 -3.150 1.00 0.00 C ATOM 0 HA PRO A 3 -43.119 -11.430 -3.416 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -43.625 -12.334 -0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -44.589 -11.018 -1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -45.279 -14.005 -1.472 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -46.294 -12.660 -0.991 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -46.497 -13.747 -3.496 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -46.773 -12.037 -3.229 1.00 0.00 H new ATOM 119 N LEU A 4 -42.899 -14.509 -3.760 1.00 0.00 N ATOM 120 CA LEU A 4 -42.068 -15.723 -3.794 1.00 0.00 C ATOM 121 C LEU A 4 -41.800 -16.262 -5.217 1.00 0.00 C ATOM 122 O LEU A 4 -41.708 -17.467 -5.437 1.00 0.00 O ATOM 123 CB LEU A 4 -42.564 -16.779 -2.782 1.00 0.00 C ATOM 124 CG LEU A 4 -43.890 -17.505 -3.093 1.00 0.00 C ATOM 125 CD1 LEU A 4 -44.016 -18.713 -2.166 1.00 0.00 C ATOM 126 CD2 LEU A 4 -45.114 -16.623 -2.862 1.00 0.00 C ATOM 0 H LEU A 4 -43.728 -14.589 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 4 -41.073 -15.433 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -41.785 -17.534 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -42.668 -16.291 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 4 -43.862 -17.788 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -44.949 -19.236 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -43.177 -19.388 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -44.012 -18.378 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -46.018 -17.186 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -45.144 -16.308 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -45.056 -15.745 -3.505 1.00 0.00 H new ATOM 138 N ASP A 5 -41.646 -15.364 -6.191 1.00 0.00 N ATOM 139 CA ASP A 5 -41.307 -15.707 -7.588 1.00 0.00 C ATOM 140 C ASP A 5 -39.845 -15.417 -7.982 1.00 0.00 C ATOM 141 O ASP A 5 -39.445 -15.668 -9.123 1.00 0.00 O ATOM 142 CB ASP A 5 -42.308 -15.019 -8.531 1.00 0.00 C ATOM 143 CG ASP A 5 -43.589 -15.852 -8.694 1.00 0.00 C ATOM 144 OD1 ASP A 5 -43.766 -16.480 -9.767 1.00 0.00 O ATOM 145 OD2 ASP A 5 -44.419 -15.892 -7.754 1.00 0.00 O ATOM 0 H ASP A 5 -41.753 -14.361 -6.038 1.00 0.00 H new ATOM 0 HA ASP A 5 -41.392 -16.790 -7.683 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -42.560 -14.034 -8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -41.845 -14.866 -9.506 1.00 0.00 H new ATOM 150 N LYS A 6 -39.049 -14.872 -7.051 1.00 0.00 N ATOM 151 CA LYS A 6 -37.747 -14.226 -7.338 1.00 0.00 C ATOM 152 C LYS A 6 -36.609 -14.727 -6.450 1.00 0.00 C ATOM 153 O LYS A 6 -35.617 -15.258 -6.946 1.00 0.00 O ATOM 154 CB LYS A 6 -37.854 -12.684 -7.273 1.00 0.00 C ATOM 155 CG LYS A 6 -39.092 -12.125 -7.991 1.00 0.00 C ATOM 156 CD LYS A 6 -40.294 -11.929 -7.048 1.00 0.00 C ATOM 157 CE LYS A 6 -40.348 -10.484 -6.537 1.00 0.00 C ATOM 158 NZ LYS A 6 -41.454 -10.295 -5.566 1.00 0.00 N ATOM 0 H LYS A 6 -39.290 -14.864 -6.060 1.00 0.00 H new ATOM 0 HA LYS A 6 -37.493 -14.517 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -37.878 -12.373 -6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -36.959 -12.247 -7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -38.838 -11.170 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -39.375 -12.802 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -41.218 -12.170 -7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -40.218 -12.616 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -39.400 -10.228 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -40.480 -9.803 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -41.811 -9.320 -5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -42.223 -10.961 -5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -41.104 -10.471 -4.603 1.00 0.00 H new ATOM 172 N ILE A 7 -36.783 -14.574 -5.134 1.00 0.00 N ATOM 173 CA ILE A 7 -35.809 -14.943 -4.090 1.00 0.00 C ATOM 174 C ILE A 7 -36.228 -16.186 -3.289 1.00 0.00 C ATOM 175 O ILE A 7 -35.619 -16.501 -2.265 1.00 0.00 O ATOM 176 CB ILE A 7 -35.451 -13.716 -3.213 1.00 0.00 C ATOM 177 CG1 ILE A 7 -36.648 -12.984 -2.558 1.00 0.00 C ATOM 178 CG2 ILE A 7 -34.679 -12.700 -4.075 1.00 0.00 C ATOM 179 CD1 ILE A 7 -37.468 -13.815 -1.563 1.00 0.00 C ATOM 0 H ILE A 7 -37.638 -14.175 -4.747 1.00 0.00 H new ATOM 0 HA ILE A 7 -34.888 -15.249 -4.587 1.00 0.00 H new ATOM 0 HB ILE A 7 -34.861 -14.116 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -36.273 -12.100 -2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -37.313 -12.635 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -34.421 -11.831 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -33.767 -13.162 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -35.302 -12.386 -4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -38.280 -13.207 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -37.882 -14.686 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -36.825 -14.143 -0.746 1.00 0.00 H new ATOM 191 N ILE A 8 -37.273 -16.891 -3.750 1.00 0.00 N ATOM 192 CA ILE A 8 -37.807 -18.113 -3.120 1.00 0.00 C ATOM 193 C ILE A 8 -36.712 -19.142 -2.765 1.00 0.00 C ATOM 194 O ILE A 8 -35.921 -19.566 -3.613 1.00 0.00 O ATOM 195 CB ILE A 8 -38.926 -18.743 -3.984 1.00 0.00 C ATOM 196 CG1 ILE A 8 -39.578 -19.940 -3.248 1.00 0.00 C ATOM 197 CG2 ILE A 8 -38.460 -19.130 -5.401 1.00 0.00 C ATOM 198 CD1 ILE A 8 -40.797 -20.547 -3.953 1.00 0.00 C ATOM 0 H ILE A 8 -37.784 -16.622 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 8 -38.245 -17.805 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 8 -39.682 -17.971 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -38.827 -20.719 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -39.878 -19.615 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -39.294 -19.565 -5.952 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -38.105 -18.241 -5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -37.651 -19.857 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -41.183 -21.377 -3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -41.571 -19.787 -4.060 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -40.505 -20.908 -4.939 1.00 0.00 H new ATOM 210 N ASN A 9 -36.683 -19.551 -1.494 1.00 0.00 N ATOM 211 CA ASN A 9 -35.716 -20.521 -0.958 1.00 0.00 C ATOM 212 C ASN A 9 -36.266 -21.415 0.173 1.00 0.00 C ATOM 213 O ASN A 9 -35.552 -22.279 0.680 1.00 0.00 O ATOM 214 CB ASN A 9 -34.460 -19.732 -0.536 1.00 0.00 C ATOM 215 CG ASN A 9 -33.226 -20.609 -0.402 1.00 0.00 C ATOM 216 OD1 ASN A 9 -32.755 -21.194 -1.367 1.00 0.00 O ATOM 217 ND2 ASN A 9 -32.650 -20.720 0.774 1.00 0.00 N ATOM 0 H ASN A 9 -37.342 -19.213 -0.793 1.00 0.00 H new ATOM 0 HA ASN A 9 -35.473 -21.241 -1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -34.265 -18.950 -1.270 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -34.652 -19.236 0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -31.813 -21.293 0.880 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -33.040 -20.233 1.581 1.00 0.00 H new ATOM 224 N ASP A 10 -37.536 -21.252 0.562 1.00 0.00 N ATOM 225 CA ASP A 10 -38.093 -21.852 1.787 1.00 0.00 C ATOM 226 C ASP A 10 -38.606 -23.302 1.630 1.00 0.00 C ATOM 227 O ASP A 10 -39.271 -23.857 2.507 1.00 0.00 O ATOM 228 CB ASP A 10 -39.141 -20.886 2.368 1.00 0.00 C ATOM 229 CG ASP A 10 -39.548 -21.213 3.818 1.00 0.00 C ATOM 230 OD1 ASP A 10 -40.768 -21.304 4.101 1.00 0.00 O ATOM 231 OD2 ASP A 10 -38.654 -21.316 4.693 1.00 0.00 O ATOM 0 H ASP A 10 -38.212 -20.698 0.036 1.00 0.00 H new ATOM 0 HA ASP A 10 -37.278 -21.977 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -38.746 -19.871 2.331 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -40.030 -20.906 1.737 1.00 0.00 H new ATOM 236 N ILE A 11 -38.288 -23.916 0.491 1.00 0.00 N ATOM 237 CA ILE A 11 -38.696 -25.274 0.081 1.00 0.00 C ATOM 238 C ILE A 11 -37.592 -25.994 -0.711 1.00 0.00 C ATOM 239 O ILE A 11 -37.849 -26.767 -1.637 1.00 0.00 O ATOM 240 CB ILE A 11 -40.098 -25.204 -0.586 1.00 0.00 C ATOM 241 CG1 ILE A 11 -40.782 -26.587 -0.676 1.00 0.00 C ATOM 242 CG2 ILE A 11 -40.071 -24.463 -1.939 1.00 0.00 C ATOM 243 CD1 ILE A 11 -42.282 -26.512 -0.991 1.00 0.00 C ATOM 0 H ILE A 11 -37.708 -23.461 -0.214 1.00 0.00 H new ATOM 0 HA ILE A 11 -38.816 -25.921 0.950 1.00 0.00 H new ATOM 0 HB ILE A 11 -40.722 -24.603 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -40.287 -27.178 -1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -40.644 -27.113 0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -41.075 -24.442 -2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -39.720 -23.442 -1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -39.399 -24.980 -2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -42.695 -27.520 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -42.790 -25.948 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -42.428 -26.014 -1.950 1.00 0.00 H new ATOM 255 N LYS A 12 -36.332 -25.723 -0.338 1.00 0.00 N ATOM 256 CA LYS A 12 -35.140 -26.206 -1.051 1.00 0.00 C ATOM 257 C LYS A 12 -34.158 -27.007 -0.182 1.00 0.00 C ATOM 258 O LYS A 12 -33.754 -28.100 -0.581 1.00 0.00 O ATOM 259 CB LYS A 12 -34.472 -24.996 -1.728 1.00 0.00 C ATOM 260 CG LYS A 12 -33.404 -25.400 -2.758 1.00 0.00 C ATOM 261 CD LYS A 12 -32.564 -24.200 -3.219 1.00 0.00 C ATOM 262 CE LYS A 12 -33.396 -23.161 -3.983 1.00 0.00 C ATOM 263 NZ LYS A 12 -32.655 -21.884 -4.134 1.00 0.00 N ATOM 0 H LYS A 12 -36.110 -25.154 0.479 1.00 0.00 H new ATOM 0 HA LYS A 12 -35.461 -26.932 -1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -35.236 -24.395 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -34.014 -24.366 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -32.749 -26.155 -2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -33.888 -25.857 -3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -32.105 -23.727 -2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -31.753 -24.552 -3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -33.656 -23.552 -4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -34.332 -22.981 -3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -33.165 -21.263 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -32.577 -21.416 -3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -31.703 -22.077 -4.506 1.00 0.00 H new ATOM 608 N LEU A 35 -9.928 3.807 -0.467 1.00 0.00 N ATOM 609 CA LEU A 35 -9.135 4.344 0.645 1.00 0.00 C ATOM 610 C LEU A 35 -9.817 5.567 1.290 1.00 0.00 C ATOM 611 O LEU A 35 -10.525 6.321 0.618 1.00 0.00 O ATOM 612 CB LEU A 35 -7.738 4.690 0.098 1.00 0.00 C ATOM 613 CG LEU A 35 -6.954 3.449 -0.383 1.00 0.00 C ATOM 614 CD1 LEU A 35 -6.085 3.790 -1.588 1.00 0.00 C ATOM 615 CD2 LEU A 35 -6.072 2.887 0.729 1.00 0.00 C ATOM 0 HA LEU A 35 -9.049 3.600 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.842 5.391 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.165 5.196 0.875 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.687 2.695 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.543 2.901 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.716 4.144 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.374 4.570 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.533 2.014 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.358 3.647 1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.694 2.598 1.576 1.00 0.00 H new ATOM 627 N SER A 36 -9.562 5.792 2.583 1.00 0.00 N ATOM 628 CA SER A 36 -9.905 7.052 3.269 1.00 0.00 C ATOM 629 C SER A 36 -8.972 8.186 2.813 1.00 0.00 C ATOM 630 O SER A 36 -7.934 7.919 2.210 1.00 0.00 O ATOM 631 CB SER A 36 -9.848 6.842 4.789 1.00 0.00 C ATOM 632 OG SER A 36 -10.320 7.991 5.472 1.00 0.00 O ATOM 0 H SER A 36 -9.111 5.107 3.189 1.00 0.00 H new ATOM 0 HA SER A 36 -10.921 7.346 3.004 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.450 5.976 5.064 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.824 6.627 5.093 1.00 0.00 H new ATOM 0 HG SER A 36 -10.278 7.837 6.439 1.00 0.00 H new ATOM 638 N GLU A 37 -9.289 9.450 3.103 1.00 0.00 N ATOM 639 CA GLU A 37 -8.489 10.613 2.673 1.00 0.00 C ATOM 640 C GLU A 37 -7.019 10.516 3.123 1.00 0.00 C ATOM 641 O GLU A 37 -6.108 10.730 2.325 1.00 0.00 O ATOM 642 CB GLU A 37 -9.151 11.897 3.202 1.00 0.00 C ATOM 643 CG GLU A 37 -8.449 13.176 2.721 1.00 0.00 C ATOM 644 CD GLU A 37 -9.202 14.433 3.199 1.00 0.00 C ATOM 645 OE1 GLU A 37 -8.952 14.901 4.337 1.00 0.00 O ATOM 646 OE2 GLU A 37 -10.046 14.968 2.438 1.00 0.00 O ATOM 0 H GLU A 37 -10.114 9.704 3.647 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.468 10.632 1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.193 11.920 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.151 11.877 4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.426 13.196 3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.390 13.175 1.633 1.00 0.00 H new ATOM 653 N GLN A 38 -6.777 10.111 4.374 1.00 0.00 N ATOM 654 CA GLN A 38 -5.427 9.896 4.911 1.00 0.00 C ATOM 655 C GLN A 38 -4.798 8.617 4.343 1.00 0.00 C ATOM 656 O GLN A 38 -3.626 8.617 3.970 1.00 0.00 O ATOM 657 CB GLN A 38 -5.506 9.844 6.446 1.00 0.00 C ATOM 658 CG GLN A 38 -4.123 9.840 7.116 1.00 0.00 C ATOM 659 CD GLN A 38 -4.212 9.443 8.588 1.00 0.00 C ATOM 660 OE1 GLN A 38 -4.241 10.270 9.490 1.00 0.00 O ATOM 661 NE2 GLN A 38 -4.276 8.160 8.885 1.00 0.00 N ATOM 0 H GLN A 38 -7.518 9.921 5.049 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.784 10.723 4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.075 10.701 6.805 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.052 8.950 6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.466 9.147 6.591 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.675 10.830 7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.253 7.463 8.141 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.349 7.865 9.859 1.00 0.00 H new ATOM 670 N GLN A 39 -5.571 7.530 4.233 1.00 0.00 N ATOM 671 CA GLN A 39 -5.070 6.262 3.695 1.00 0.00 C ATOM 672 C GLN A 39 -4.635 6.393 2.231 1.00 0.00 C ATOM 673 O GLN A 39 -3.589 5.868 1.862 1.00 0.00 O ATOM 674 CB GLN A 39 -6.099 5.138 3.879 1.00 0.00 C ATOM 675 CG GLN A 39 -6.199 4.670 5.339 1.00 0.00 C ATOM 676 CD GLN A 39 -7.081 3.430 5.499 1.00 0.00 C ATOM 677 OE1 GLN A 39 -7.989 3.164 4.721 1.00 0.00 O ATOM 678 NE2 GLN A 39 -6.847 2.622 6.511 1.00 0.00 N ATOM 0 H GLN A 39 -6.552 7.505 4.512 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.181 5.996 4.266 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.076 5.485 3.544 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.827 4.293 3.247 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.200 4.452 5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.601 5.479 5.949 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.094 2.831 7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.418 1.787 6.640 1.00 0.00 H new ATOM 687 N LYS A 40 -5.362 7.164 1.415 1.00 0.00 N ATOM 688 CA LYS A 40 -4.988 7.473 0.027 1.00 0.00 C ATOM 689 C LYS A 40 -3.627 8.175 -0.025 1.00 0.00 C ATOM 690 O LYS A 40 -2.795 7.812 -0.854 1.00 0.00 O ATOM 691 CB LYS A 40 -6.108 8.323 -0.606 1.00 0.00 C ATOM 692 CG LYS A 40 -5.773 8.820 -2.025 1.00 0.00 C ATOM 693 CD LYS A 40 -6.926 9.626 -2.648 1.00 0.00 C ATOM 694 CE LYS A 40 -8.072 8.756 -3.187 1.00 0.00 C ATOM 695 NZ LYS A 40 -7.722 8.129 -4.490 1.00 0.00 N ATOM 0 H LYS A 40 -6.239 7.598 1.702 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.882 6.553 -0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.024 7.734 -0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.307 9.182 0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.877 9.440 -1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.544 7.966 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.324 10.311 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.532 10.236 -3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.310 7.978 -2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.967 9.366 -3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.520 7.550 -4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.519 8.872 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.883 7.527 -4.371 1.00 0.00 H new ATOM 709 N ILE A 41 -3.366 9.123 0.882 1.00 0.00 N ATOM 710 CA ILE A 41 -2.078 9.833 0.950 1.00 0.00 C ATOM 711 C ILE A 41 -0.955 8.907 1.427 1.00 0.00 C ATOM 712 O ILE A 41 0.114 8.947 0.834 1.00 0.00 O ATOM 713 CB ILE A 41 -2.160 11.091 1.836 1.00 0.00 C ATOM 714 CG1 ILE A 41 -3.220 12.088 1.309 1.00 0.00 C ATOM 715 CG2 ILE A 41 -0.801 11.813 1.937 1.00 0.00 C ATOM 716 CD1 ILE A 41 -3.709 13.072 2.378 1.00 0.00 C ATOM 0 H ILE A 41 -4.038 9.421 1.589 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.843 10.159 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.451 10.746 2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.799 12.648 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.072 11.530 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.903 12.694 2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.062 11.139 2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.476 12.117 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.450 13.743 1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.159 12.519 3.203 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.866 13.655 2.749 1.00 0.00 H new ATOM 728 N ILE A 42 -1.160 8.048 2.433 1.00 0.00 N ATOM 729 CA ILE A 42 -0.107 7.114 2.883 1.00 0.00 C ATOM 730 C ILE A 42 0.228 6.116 1.766 1.00 0.00 C ATOM 731 O ILE A 42 1.400 5.869 1.475 1.00 0.00 O ATOM 732 CB ILE A 42 -0.522 6.371 4.168 1.00 0.00 C ATOM 733 CG1 ILE A 42 -0.800 7.328 5.348 1.00 0.00 C ATOM 734 CG2 ILE A 42 0.589 5.388 4.579 1.00 0.00 C ATOM 735 CD1 ILE A 42 -1.726 6.678 6.382 1.00 0.00 C ATOM 0 H ILE A 42 -2.036 7.976 2.951 1.00 0.00 H new ATOM 0 HA ILE A 42 0.784 7.698 3.115 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.448 5.842 3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.141 7.607 5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.254 8.246 4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.293 4.864 5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.749 4.665 3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.512 5.938 4.762 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.904 7.375 7.201 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.675 6.422 5.911 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.259 5.773 6.771 1.00 0.00 H new ATOM 747 N LEU A 43 -0.808 5.586 1.108 1.00 0.00 N ATOM 748 CA LEU A 43 -0.698 4.663 -0.022 1.00 0.00 C ATOM 749 C LEU A 43 0.112 5.307 -1.162 1.00 0.00 C ATOM 750 O LEU A 43 1.070 4.716 -1.666 1.00 0.00 O ATOM 751 CB LEU A 43 -2.136 4.247 -0.415 1.00 0.00 C ATOM 752 CG LEU A 43 -2.344 3.165 -1.486 1.00 0.00 C ATOM 753 CD1 LEU A 43 -2.163 3.708 -2.901 1.00 0.00 C ATOM 754 CD2 LEU A 43 -1.462 1.939 -1.245 1.00 0.00 C ATOM 0 H LEU A 43 -1.775 5.795 1.356 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.145 3.760 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.638 3.910 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.655 5.144 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.381 2.842 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.320 2.905 -3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.886 4.504 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.153 4.103 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.643 1.201 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.413 2.236 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.700 1.505 -0.274 1.00 0.00 H new ATOM 766 N ALA A 44 -0.218 6.553 -1.507 1.00 0.00 N ATOM 767 CA ALA A 44 0.467 7.340 -2.525 1.00 0.00 C ATOM 768 C ALA A 44 1.906 7.719 -2.139 1.00 0.00 C ATOM 769 O ALA A 44 2.826 7.447 -2.906 1.00 0.00 O ATOM 770 CB ALA A 44 -0.369 8.593 -2.782 1.00 0.00 C ATOM 0 H ALA A 44 -0.992 7.054 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 44 0.560 6.733 -3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.117 9.206 -3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.361 8.304 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.461 9.165 -1.859 1.00 0.00 H new ATOM 776 N GLU A 45 2.129 8.311 -0.960 1.00 0.00 N ATOM 777 CA GLU A 45 3.458 8.756 -0.507 1.00 0.00 C ATOM 778 C GLU A 45 4.471 7.604 -0.384 1.00 0.00 C ATOM 779 O GLU A 45 5.672 7.822 -0.547 1.00 0.00 O ATOM 780 CB GLU A 45 3.342 9.488 0.842 1.00 0.00 C ATOM 781 CG GLU A 45 2.731 10.893 0.732 1.00 0.00 C ATOM 782 CD GLU A 45 3.712 11.903 0.104 1.00 0.00 C ATOM 783 OE1 GLU A 45 3.656 12.129 -1.129 1.00 0.00 O ATOM 784 OE2 GLU A 45 4.543 12.488 0.843 1.00 0.00 O ATOM 0 H GLU A 45 1.387 8.498 -0.285 1.00 0.00 H new ATOM 0 HA GLU A 45 3.835 9.434 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.733 8.889 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.333 9.566 1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.823 10.847 0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.439 11.240 1.723 1.00 0.00 H new ATOM 791 N TYR A 46 4.004 6.373 -0.152 1.00 0.00 N ATOM 792 CA TYR A 46 4.843 5.175 -0.107 1.00 0.00 C ATOM 793 C TYR A 46 5.335 4.786 -1.514 1.00 0.00 C ATOM 794 O TYR A 46 6.541 4.763 -1.764 1.00 0.00 O ATOM 795 CB TYR A 46 4.034 4.079 0.600 1.00 0.00 C ATOM 796 CG TYR A 46 4.662 2.711 0.792 1.00 0.00 C ATOM 797 CD1 TYR A 46 3.803 1.647 1.119 1.00 0.00 C ATOM 798 CD2 TYR A 46 6.049 2.481 0.671 1.00 0.00 C ATOM 799 CE1 TYR A 46 4.317 0.350 1.291 1.00 0.00 C ATOM 800 CE2 TYR A 46 6.566 1.182 0.850 1.00 0.00 C ATOM 801 CZ TYR A 46 5.696 0.113 1.143 1.00 0.00 C ATOM 802 OH TYR A 46 6.166 -1.155 1.251 1.00 0.00 O ATOM 0 H TYR A 46 3.016 6.180 0.012 1.00 0.00 H new ATOM 0 HA TYR A 46 5.758 5.348 0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.759 4.456 1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.108 3.941 0.042 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.745 1.827 1.238 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.714 3.300 0.441 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.653 -0.465 1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.628 1.006 0.763 1.00 0.00 H new ATOM 0 HH TYR A 46 7.138 -1.156 1.123 1.00 0.00 H new ATOM 812 N ILE A 47 4.426 4.586 -2.474 1.00 0.00 N ATOM 813 CA ILE A 47 4.726 4.325 -3.890 1.00 0.00 C ATOM 814 C ILE A 47 5.548 5.471 -4.504 1.00 0.00 C ATOM 815 O ILE A 47 6.444 5.225 -5.305 1.00 0.00 O ATOM 816 CB ILE A 47 3.386 4.149 -4.624 1.00 0.00 C ATOM 817 CG1 ILE A 47 2.788 2.788 -4.210 1.00 0.00 C ATOM 818 CG2 ILE A 47 3.508 4.251 -6.157 1.00 0.00 C ATOM 819 CD1 ILE A 47 1.287 2.692 -4.504 1.00 0.00 C ATOM 0 H ILE A 47 3.424 4.602 -2.282 1.00 0.00 H new ATOM 0 HA ILE A 47 5.330 3.423 -3.986 1.00 0.00 H new ATOM 0 HB ILE A 47 2.728 4.968 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.310 1.990 -4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.957 2.629 -3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.526 4.117 -6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.901 5.231 -6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.183 3.477 -6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.917 1.715 -4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.758 3.471 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.117 2.822 -5.573 1.00 0.00 H new ATOM 831 N ALA A 48 5.299 6.718 -4.107 1.00 0.00 N ATOM 832 CA ALA A 48 6.047 7.889 -4.564 1.00 0.00 C ATOM 833 C ALA A 48 7.508 7.917 -4.060 1.00 0.00 C ATOM 834 O ALA A 48 8.355 8.584 -4.660 1.00 0.00 O ATOM 835 CB ALA A 48 5.278 9.131 -4.111 1.00 0.00 C ATOM 0 H ALA A 48 4.557 6.947 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 48 6.127 7.855 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.809 10.026 -4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.280 9.121 -4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.196 9.132 -3.024 1.00 0.00 H new ATOM 841 N GLU A 49 7.819 7.186 -2.983 1.00 0.00 N ATOM 842 CA GLU A 49 9.162 7.080 -2.402 1.00 0.00 C ATOM 843 C GLU A 49 9.935 5.834 -2.880 1.00 0.00 C ATOM 844 O GLU A 49 11.166 5.890 -2.947 1.00 0.00 O ATOM 845 CB GLU A 49 9.039 7.143 -0.869 1.00 0.00 C ATOM 846 CG GLU A 49 10.393 7.237 -0.154 1.00 0.00 C ATOM 847 CD GLU A 49 10.210 7.542 1.345 1.00 0.00 C ATOM 848 OE1 GLU A 49 10.331 8.725 1.748 1.00 0.00 O ATOM 849 OE2 GLU A 49 9.962 6.600 2.137 1.00 0.00 O ATOM 0 H GLU A 49 7.124 6.637 -2.478 1.00 0.00 H new ATOM 0 HA GLU A 49 9.760 7.921 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.431 8.005 -0.596 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.511 6.257 -0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.936 6.300 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.998 8.017 -0.616 1.00 0.00 H new ATOM 856 N VAL A 50 9.257 4.729 -3.246 1.00 0.00 N ATOM 857 CA VAL A 50 9.926 3.456 -3.592 1.00 0.00 C ATOM 858 C VAL A 50 9.532 2.886 -4.956 1.00 0.00 C ATOM 859 O VAL A 50 10.294 2.108 -5.518 1.00 0.00 O ATOM 860 CB VAL A 50 9.742 2.387 -2.492 1.00 0.00 C ATOM 861 CG1 VAL A 50 10.122 2.912 -1.100 1.00 0.00 C ATOM 862 CG2 VAL A 50 8.329 1.798 -2.417 1.00 0.00 C ATOM 0 H VAL A 50 8.240 4.691 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 50 10.982 3.716 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 50 10.423 1.590 -2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.975 2.124 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.168 3.219 -1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.493 3.766 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.286 1.056 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.613 2.594 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.081 1.324 -3.367 1.00 0.00 H new ATOM 872 N GLY A 51 8.381 3.266 -5.510 1.00 0.00 N ATOM 873 CA GLY A 51 7.787 2.695 -6.725 1.00 0.00 C ATOM 874 C GLY A 51 6.877 1.495 -6.434 1.00 0.00 C ATOM 875 O GLY A 51 7.186 0.650 -5.593 1.00 0.00 O ATOM 0 H GLY A 51 7.811 4.011 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.212 3.465 -7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.583 2.386 -7.402 1.00 0.00 H new ATOM 879 N LEU A 52 5.759 1.383 -7.162 1.00 0.00 N ATOM 880 CA LEU A 52 4.713 0.363 -6.972 1.00 0.00 C ATOM 881 C LEU A 52 5.196 -1.091 -7.148 1.00 0.00 C ATOM 882 O LEU A 52 4.563 -2.046 -6.700 1.00 0.00 O ATOM 883 CB LEU A 52 3.570 0.709 -7.952 1.00 0.00 C ATOM 884 CG LEU A 52 2.351 -0.232 -7.983 1.00 0.00 C ATOM 885 CD1 LEU A 52 1.651 -0.306 -6.631 1.00 0.00 C ATOM 886 CD2 LEU A 52 1.353 0.291 -9.014 1.00 0.00 C ATOM 0 H LEU A 52 5.548 2.022 -7.928 1.00 0.00 H new ATOM 0 HA LEU A 52 4.378 0.394 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.215 1.712 -7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.989 0.749 -8.957 1.00 0.00 H new ATOM 0 HG LEU A 52 2.706 -1.230 -8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.798 -0.981 -6.700 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.348 -0.678 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.306 0.688 -6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.484 -0.367 -9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.037 1.297 -8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.825 0.317 -9.996 1.00 0.00 H new ATOM 898 N GLN A 53 6.357 -1.239 -7.767 1.00 0.00 N ATOM 899 CA GLN A 53 7.049 -2.511 -7.998 1.00 0.00 C ATOM 900 C GLN A 53 7.877 -2.979 -6.782 1.00 0.00 C ATOM 901 O GLN A 53 8.231 -4.157 -6.703 1.00 0.00 O ATOM 902 CB GLN A 53 7.952 -2.409 -9.243 1.00 0.00 C ATOM 903 CG GLN A 53 7.222 -2.011 -10.540 1.00 0.00 C ATOM 904 CD GLN A 53 7.090 -0.498 -10.721 1.00 0.00 C ATOM 905 OE1 GLN A 53 6.044 0.100 -10.515 1.00 0.00 O ATOM 906 NE2 GLN A 53 8.150 0.191 -11.088 1.00 0.00 N ATOM 0 H GLN A 53 6.872 -0.442 -8.142 1.00 0.00 H new ATOM 0 HA GLN A 53 6.275 -3.261 -8.162 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.737 -1.679 -9.046 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.442 -3.370 -9.399 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.759 -2.426 -11.393 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.228 -2.458 -10.541 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.033 -0.288 -11.265 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.088 1.203 -11.195 1.00 0.00 H new ATOM 915 N ASN A 54 8.200 -2.073 -5.847 1.00 0.00 N ATOM 916 CA ASN A 54 9.149 -2.304 -4.746 1.00 0.00 C ATOM 917 C ASN A 54 8.521 -2.280 -3.342 1.00 0.00 C ATOM 918 O ASN A 54 9.182 -2.630 -2.361 1.00 0.00 O ATOM 919 CB ASN A 54 10.305 -1.297 -4.858 1.00 0.00 C ATOM 920 CG ASN A 54 10.961 -1.298 -6.228 1.00 0.00 C ATOM 921 OD1 ASN A 54 11.470 -2.302 -6.709 1.00 0.00 O ATOM 922 ND2 ASN A 54 10.949 -0.176 -6.909 1.00 0.00 N ATOM 0 H ASN A 54 7.799 -1.135 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 54 9.520 -3.323 -4.859 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.931 -0.297 -4.641 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.055 -1.528 -4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.364 -0.140 -7.840 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.525 0.660 -6.507 1.00 0.00 H new ATOM 929 N ILE A 55 7.245 -1.904 -3.243 1.00 0.00 N ATOM 930 CA ILE A 55 6.434 -2.088 -2.034 1.00 0.00 C ATOM 931 C ILE A 55 6.174 -3.576 -1.759 1.00 0.00 C ATOM 932 O ILE A 55 6.203 -4.412 -2.667 1.00 0.00 O ATOM 933 CB ILE A 55 5.097 -1.314 -2.090 1.00 0.00 C ATOM 934 CG1 ILE A 55 4.127 -1.844 -3.162 1.00 0.00 C ATOM 935 CG2 ILE A 55 5.333 0.192 -2.254 1.00 0.00 C ATOM 936 CD1 ILE A 55 2.809 -1.070 -3.175 1.00 0.00 C ATOM 0 H ILE A 55 6.738 -1.458 -4.008 1.00 0.00 H new ATOM 0 HA ILE A 55 7.016 -1.673 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 55 4.610 -1.486 -1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.598 -1.775 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.926 -2.899 -2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.374 0.709 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.914 0.563 -1.410 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.879 0.376 -3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.155 -1.478 -3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.324 -1.161 -2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.006 -0.019 -3.385 1.00 0.00 H new ATOM 948 N THR A 56 5.853 -3.894 -0.508 1.00 0.00 N ATOM 949 CA THR A 56 5.462 -5.235 -0.051 1.00 0.00 C ATOM 950 C THR A 56 4.130 -5.207 0.676 1.00 0.00 C ATOM 951 O THR A 56 3.862 -4.270 1.419 1.00 0.00 O ATOM 952 CB THR A 56 6.522 -5.855 0.887 1.00 0.00 C ATOM 953 OG1 THR A 56 7.283 -4.877 1.564 1.00 0.00 O ATOM 954 CG2 THR A 56 7.474 -6.761 0.114 1.00 0.00 C ATOM 0 H THR A 56 5.856 -3.206 0.245 1.00 0.00 H new ATOM 0 HA THR A 56 5.376 -5.848 -0.948 1.00 0.00 H new ATOM 0 HB THR A 56 5.967 -6.435 1.624 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.938 -5.317 2.146 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.210 -7.184 0.798 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.909 -7.567 -0.355 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.985 -6.181 -0.655 1.00 0.00 H new ATOM 962 N ALA A 57 3.323 -6.266 0.553 1.00 0.00 N ATOM 963 CA ALA A 57 2.083 -6.443 1.310 1.00 0.00 C ATOM 964 C ALA A 57 2.338 -6.512 2.822 1.00 0.00 C ATOM 965 O ALA A 57 1.487 -6.105 3.604 1.00 0.00 O ATOM 966 CB ALA A 57 1.397 -7.726 0.828 1.00 0.00 C ATOM 0 H ALA A 57 3.518 -7.036 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 57 1.441 -5.579 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.470 -7.873 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.174 -7.642 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.058 -8.577 0.994 1.00 0.00 H new ATOM 972 N ILE A 58 3.528 -6.964 3.233 1.00 0.00 N ATOM 973 CA ILE A 58 3.978 -6.988 4.630 1.00 0.00 C ATOM 974 C ILE A 58 4.089 -5.567 5.183 1.00 0.00 C ATOM 975 O ILE A 58 3.528 -5.240 6.228 1.00 0.00 O ATOM 976 CB ILE A 58 5.355 -7.681 4.731 1.00 0.00 C ATOM 977 CG1 ILE A 58 5.410 -9.090 4.095 1.00 0.00 C ATOM 978 CG2 ILE A 58 5.787 -7.707 6.206 1.00 0.00 C ATOM 979 CD1 ILE A 58 4.310 -10.061 4.535 1.00 0.00 C ATOM 0 H ILE A 58 4.224 -7.333 2.585 1.00 0.00 H new ATOM 0 HA ILE A 58 3.245 -7.543 5.215 1.00 0.00 H new ATOM 0 HB ILE A 58 6.058 -7.095 4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.361 -8.982 3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.377 -9.536 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.758 -8.194 6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.858 -6.687 6.582 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.051 -8.259 6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.444 -11.017 4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.367 -10.211 5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.335 -9.648 4.277 1.00 0.00 H new ATOM 991 N THR A 59 4.815 -4.711 4.469 1.00 0.00 N ATOM 992 CA THR A 59 5.061 -3.329 4.881 1.00 0.00 C ATOM 993 C THR A 59 3.812 -2.486 4.657 1.00 0.00 C ATOM 994 O THR A 59 3.438 -1.716 5.530 1.00 0.00 O ATOM 995 CB THR A 59 6.285 -2.799 4.129 1.00 0.00 C ATOM 996 OG1 THR A 59 7.423 -3.530 4.537 1.00 0.00 O ATOM 997 CG2 THR A 59 6.575 -1.325 4.403 1.00 0.00 C ATOM 0 H THR A 59 5.253 -4.957 3.581 1.00 0.00 H new ATOM 0 HA THR A 59 5.280 -3.277 5.948 1.00 0.00 H new ATOM 0 HB THR A 59 6.068 -2.912 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.213 -3.199 4.060 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.455 -1.016 3.838 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.719 -0.723 4.099 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.759 -1.182 5.468 1.00 0.00 H new ATOM 1005 N LEU A 60 3.082 -2.693 3.557 1.00 0.00 N ATOM 1006 CA LEU A 60 1.810 -2.022 3.267 1.00 0.00 C ATOM 1007 C LEU A 60 0.725 -2.374 4.306 1.00 0.00 C ATOM 1008 O LEU A 60 0.008 -1.485 4.757 1.00 0.00 O ATOM 1009 CB LEU A 60 1.399 -2.359 1.817 1.00 0.00 C ATOM 1010 CG LEU A 60 0.292 -1.479 1.211 1.00 0.00 C ATOM 1011 CD1 LEU A 60 0.792 -0.059 0.985 1.00 0.00 C ATOM 1012 CD2 LEU A 60 -0.136 -2.036 -0.145 1.00 0.00 C ATOM 0 H LEU A 60 3.365 -3.346 2.827 1.00 0.00 H new ATOM 0 HA LEU A 60 1.932 -0.942 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.283 -2.286 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.069 -3.397 1.785 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.544 -1.475 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.008 0.544 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.102 0.373 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.640 -0.077 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.920 -1.406 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.720 -2.049 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.514 -3.050 -0.019 1.00 0.00 H new ATOM 1024 N SER A 61 0.690 -3.623 4.792 1.00 0.00 N ATOM 1025 CA SER A 61 -0.126 -4.060 5.937 1.00 0.00 C ATOM 1026 C SER A 61 0.117 -3.204 7.182 1.00 0.00 C ATOM 1027 O SER A 61 -0.796 -2.913 7.954 1.00 0.00 O ATOM 1028 CB SER A 61 0.135 -5.539 6.245 1.00 0.00 C ATOM 1029 OG SER A 61 -0.603 -5.989 7.363 1.00 0.00 O ATOM 0 H SER A 61 1.243 -4.379 4.389 1.00 0.00 H new ATOM 0 HA SER A 61 -1.171 -3.932 5.657 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.124 -6.141 5.374 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.199 -5.688 6.430 1.00 0.00 H new ATOM 0 HG SER A 61 -1.384 -5.412 7.493 1.00 0.00 H new ATOM 1035 N LYS A 62 1.348 -2.717 7.339 1.00 0.00 N ATOM 1036 CA LYS A 62 1.789 -1.950 8.506 1.00 0.00 C ATOM 1037 C LYS A 62 1.745 -0.430 8.303 1.00 0.00 C ATOM 1038 O LYS A 62 1.433 0.291 9.252 1.00 0.00 O ATOM 1039 CB LYS A 62 3.169 -2.443 8.965 1.00 0.00 C ATOM 1040 CG LYS A 62 3.093 -3.888 9.484 1.00 0.00 C ATOM 1041 CD LYS A 62 4.465 -4.365 9.972 1.00 0.00 C ATOM 1042 CE LYS A 62 4.462 -5.846 10.382 1.00 0.00 C ATOM 1043 NZ LYS A 62 3.651 -6.101 11.603 1.00 0.00 N ATOM 0 H LYS A 62 2.083 -2.847 6.644 1.00 0.00 H new ATOM 0 HA LYS A 62 1.069 -2.135 9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.874 -2.387 8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.550 -1.790 9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.371 -3.949 10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.735 -4.545 8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.201 -4.211 9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.776 -3.757 10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.072 -6.446 9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.487 -6.173 10.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.683 -7.114 11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.037 -5.551 12.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.666 -5.816 11.431 1.00 0.00 H new ATOM 1057 N LYS A 63 1.968 0.064 7.078 1.00 0.00 N ATOM 1058 CA LYS A 63 1.930 1.491 6.705 1.00 0.00 C ATOM 1059 C LYS A 63 0.555 2.113 6.970 1.00 0.00 C ATOM 1060 O LYS A 63 0.482 3.237 7.461 1.00 0.00 O ATOM 1061 CB LYS A 63 2.305 1.609 5.216 1.00 0.00 C ATOM 1062 CG LYS A 63 3.795 1.375 4.910 1.00 0.00 C ATOM 1063 CD LYS A 63 4.647 2.648 4.960 1.00 0.00 C ATOM 1064 CE LYS A 63 6.070 2.340 4.474 1.00 0.00 C ATOM 1065 NZ LYS A 63 6.939 3.545 4.519 1.00 0.00 N ATOM 0 H LYS A 63 2.189 -0.540 6.286 1.00 0.00 H new ATOM 0 HA LYS A 63 2.643 2.041 7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.714 0.891 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.026 2.602 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.194 0.655 5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.887 0.927 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.199 3.421 4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.677 3.037 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.504 1.555 5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.031 1.957 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.892 3.298 4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.538 4.285 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.996 3.896 5.496 1.00 0.00 H new ATOM 1079 N LEU A 64 -0.523 1.369 6.691 1.00 0.00 N ATOM 1080 CA LEU A 64 -1.918 1.825 6.831 1.00 0.00 C ATOM 1081 C LEU A 64 -2.709 1.072 7.924 1.00 0.00 C ATOM 1082 O LEU A 64 -3.937 1.141 7.944 1.00 0.00 O ATOM 1083 CB LEU A 64 -2.639 1.832 5.465 1.00 0.00 C ATOM 1084 CG LEU A 64 -1.857 2.504 4.325 1.00 0.00 C ATOM 1085 CD1 LEU A 64 -1.103 1.495 3.460 1.00 0.00 C ATOM 1086 CD2 LEU A 64 -2.802 3.248 3.400 1.00 0.00 C ATOM 0 H LEU A 64 -0.451 0.409 6.353 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.876 2.855 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.856 0.803 5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.597 2.340 5.578 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.149 3.178 4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.568 2.021 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.392 0.946 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.811 0.796 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.232 3.718 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.519 2.547 2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.335 4.014 3.964 1.00 0.00 H new ATOM 1098 N ASN A 65 -2.014 0.354 8.821 1.00 0.00 N ATOM 1099 CA ASN A 65 -2.573 -0.471 9.908 1.00 0.00 C ATOM 1100 C ASN A 65 -3.739 -1.392 9.466 1.00 0.00 C ATOM 1101 O ASN A 65 -4.845 -1.356 10.012 1.00 0.00 O ATOM 1102 CB ASN A 65 -2.809 0.372 11.184 1.00 0.00 C ATOM 1103 CG ASN A 65 -3.772 1.546 11.046 1.00 0.00 C ATOM 1104 OD1 ASN A 65 -4.969 1.449 11.282 1.00 0.00 O ATOM 1105 ND2 ASN A 65 -3.273 2.720 10.718 1.00 0.00 N ATOM 0 H ASN A 65 -0.994 0.331 8.808 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.818 -1.204 10.192 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.183 -0.288 11.966 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.847 0.756 11.524 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.883 3.536 10.663 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.277 2.813 10.519 1.00 0.00 H new ATOM 1112 N ILE A 66 -3.471 -2.219 8.451 1.00 0.00 N ATOM 1113 CA ILE A 66 -4.416 -3.110 7.756 1.00 0.00 C ATOM 1114 C ILE A 66 -3.984 -4.587 7.891 1.00 0.00 C ATOM 1115 O ILE A 66 -3.183 -4.927 8.765 1.00 0.00 O ATOM 1116 CB ILE A 66 -4.593 -2.621 6.289 1.00 0.00 C ATOM 1117 CG1 ILE A 66 -3.320 -1.992 5.674 1.00 0.00 C ATOM 1118 CG2 ILE A 66 -5.758 -1.620 6.266 1.00 0.00 C ATOM 1119 CD1 ILE A 66 -3.369 -1.841 4.147 1.00 0.00 C ATOM 0 H ILE A 66 -2.529 -2.292 8.065 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.400 -3.065 8.223 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.801 -3.492 5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.161 -1.010 6.120 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.460 -2.606 5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.907 -1.258 5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.667 -2.111 6.613 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.528 -0.779 6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.440 -1.393 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.495 -2.822 3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.207 -1.201 3.871 1.00 0.00 H new ATOM 1131 N THR A 67 -4.557 -5.485 7.082 1.00 0.00 N ATOM 1132 CA THR A 67 -4.135 -6.893 6.959 1.00 0.00 C ATOM 1133 C THR A 67 -3.237 -7.089 5.735 1.00 0.00 C ATOM 1134 O THR A 67 -3.274 -6.291 4.792 1.00 0.00 O ATOM 1135 CB THR A 67 -5.330 -7.864 6.923 1.00 0.00 C ATOM 1136 OG1 THR A 67 -5.908 -7.910 5.639 1.00 0.00 O ATOM 1137 CG2 THR A 67 -6.450 -7.498 7.902 1.00 0.00 C ATOM 0 H THR A 67 -5.346 -5.252 6.479 1.00 0.00 H new ATOM 0 HA THR A 67 -3.560 -7.130 7.854 1.00 0.00 H new ATOM 0 HB THR A 67 -4.909 -8.828 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.663 -8.535 5.642 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.257 -8.226 7.820 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.059 -7.502 8.920 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.832 -6.505 7.664 1.00 0.00 H new ATOM 1145 N VAL A 68 -2.461 -8.181 5.707 1.00 0.00 N ATOM 1146 CA VAL A 68 -1.651 -8.564 4.534 1.00 0.00 C ATOM 1147 C VAL A 68 -2.543 -8.860 3.326 1.00 0.00 C ATOM 1148 O VAL A 68 -2.143 -8.597 2.198 1.00 0.00 O ATOM 1149 CB VAL A 68 -0.733 -9.767 4.849 1.00 0.00 C ATOM 1150 CG1 VAL A 68 0.118 -10.207 3.646 1.00 0.00 C ATOM 1151 CG2 VAL A 68 0.248 -9.426 5.982 1.00 0.00 C ATOM 0 H VAL A 68 -2.375 -8.825 6.493 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.012 -7.717 4.285 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.409 -10.574 5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.740 -11.055 3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.536 -10.497 2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.754 -9.381 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.883 -10.288 6.185 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.868 -8.581 5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.311 -9.167 6.881 1.00 0.00 H new ATOM 1161 N GLU A 69 -3.775 -9.333 3.526 1.00 0.00 N ATOM 1162 CA GLU A 69 -4.693 -9.673 2.442 1.00 0.00 C ATOM 1163 C GLU A 69 -5.303 -8.398 1.856 1.00 0.00 C ATOM 1164 O GLU A 69 -5.387 -8.259 0.636 1.00 0.00 O ATOM 1165 CB GLU A 69 -5.793 -10.625 2.943 1.00 0.00 C ATOM 1166 CG GLU A 69 -5.281 -11.999 3.415 1.00 0.00 C ATOM 1167 CD GLU A 69 -4.685 -12.049 4.844 1.00 0.00 C ATOM 1168 OE1 GLU A 69 -4.762 -11.059 5.609 1.00 0.00 O ATOM 1169 OE2 GLU A 69 -4.144 -13.118 5.218 1.00 0.00 O ATOM 0 H GLU A 69 -4.165 -9.492 4.455 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.137 -10.186 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.323 -10.146 3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.517 -10.776 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.106 -12.709 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.520 -12.341 2.714 1.00 0.00 H new ATOM 1176 N LYS A 70 -5.645 -7.427 2.716 1.00 0.00 N ATOM 1177 CA LYS A 70 -6.217 -6.135 2.337 1.00 0.00 C ATOM 1178 C LYS A 70 -5.202 -5.294 1.564 1.00 0.00 C ATOM 1179 O LYS A 70 -5.503 -4.757 0.499 1.00 0.00 O ATOM 1180 CB LYS A 70 -6.711 -5.457 3.625 1.00 0.00 C ATOM 1181 CG LYS A 70 -7.729 -4.330 3.445 1.00 0.00 C ATOM 1182 CD LYS A 70 -7.183 -2.953 3.035 1.00 0.00 C ATOM 1183 CE LYS A 70 -8.260 -1.912 3.385 1.00 0.00 C ATOM 1184 NZ LYS A 70 -7.815 -0.511 3.169 1.00 0.00 N ATOM 0 H LYS A 70 -5.526 -7.526 3.724 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.060 -6.259 1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.153 -6.220 4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.847 -5.057 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.453 -4.645 2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.273 -4.213 4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.253 -2.736 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.959 -2.930 1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.148 -2.101 2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.551 -2.037 4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.552 0.143 3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.936 -0.340 3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.645 -0.353 2.155 1.00 0.00 H new ATOM 1198 N ALA A 71 -3.974 -5.284 2.076 1.00 0.00 N ATOM 1199 CA ALA A 71 -2.780 -4.735 1.437 1.00 0.00 C ATOM 1200 C ALA A 71 -2.457 -5.391 0.077 1.00 0.00 C ATOM 1201 O ALA A 71 -2.285 -4.696 -0.925 1.00 0.00 O ATOM 1202 CB ALA A 71 -1.614 -4.906 2.417 1.00 0.00 C ATOM 0 H ALA A 71 -3.774 -5.679 2.995 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.956 -3.683 1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.703 -4.506 1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.833 -4.369 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.476 -5.965 2.637 1.00 0.00 H new ATOM 1208 N LYS A 72 -2.415 -6.728 0.001 1.00 0.00 N ATOM 1209 CA LYS A 72 -2.065 -7.471 -1.216 1.00 0.00 C ATOM 1210 C LYS A 72 -3.147 -7.333 -2.280 1.00 0.00 C ATOM 1211 O LYS A 72 -2.842 -7.363 -3.467 1.00 0.00 O ATOM 1212 CB LYS A 72 -1.801 -8.933 -0.818 1.00 0.00 C ATOM 1213 CG LYS A 72 -1.397 -9.854 -1.974 1.00 0.00 C ATOM 1214 CD LYS A 72 -0.954 -11.236 -1.455 1.00 0.00 C ATOM 1215 CE LYS A 72 0.462 -11.262 -0.856 1.00 0.00 C ATOM 1216 NZ LYS A 72 1.521 -11.230 -1.903 1.00 0.00 N ATOM 0 H LYS A 72 -2.626 -7.332 0.795 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.163 -7.060 -1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.013 -8.953 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.700 -9.335 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.236 -9.972 -2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.585 -9.397 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.663 -11.571 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.002 -11.952 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.588 -10.409 -0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.581 -12.160 -0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.457 -11.249 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.420 -12.058 -2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.426 -10.361 -2.466 1.00 0.00 H new ATOM 1230 N ASN A 73 -4.386 -7.069 -1.868 1.00 0.00 N ATOM 1231 CA ASN A 73 -5.492 -6.788 -2.773 1.00 0.00 C ATOM 1232 C ASN A 73 -5.225 -5.560 -3.675 1.00 0.00 C ATOM 1233 O ASN A 73 -5.638 -5.576 -4.835 1.00 0.00 O ATOM 1234 CB ASN A 73 -6.805 -6.721 -1.958 1.00 0.00 C ATOM 1235 CG ASN A 73 -7.692 -5.539 -2.288 1.00 0.00 C ATOM 1236 OD1 ASN A 73 -8.532 -5.608 -3.172 1.00 0.00 O ATOM 1237 ND2 ASN A 73 -7.511 -4.433 -1.604 1.00 0.00 N ATOM 0 H ASN A 73 -4.650 -7.045 -0.883 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.597 -7.604 -3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.368 -7.639 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.557 -6.688 -0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.078 -3.609 -1.807 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.804 -4.397 -0.870 1.00 0.00 H new ATOM 1244 N TYR A 74 -4.473 -4.557 -3.195 1.00 0.00 N ATOM 1245 CA TYR A 74 -3.972 -3.441 -3.995 1.00 0.00 C ATOM 1246 C TYR A 74 -2.903 -3.917 -4.963 1.00 0.00 C ATOM 1247 O TYR A 74 -3.017 -3.675 -6.154 1.00 0.00 O ATOM 1248 CB TYR A 74 -3.392 -2.323 -3.117 1.00 0.00 C ATOM 1249 CG TYR A 74 -4.391 -1.701 -2.173 1.00 0.00 C ATOM 1250 CD1 TYR A 74 -5.512 -1.025 -2.691 1.00 0.00 C ATOM 1251 CD2 TYR A 74 -4.194 -1.798 -0.784 1.00 0.00 C ATOM 1252 CE1 TYR A 74 -6.465 -0.476 -1.818 1.00 0.00 C ATOM 1253 CE2 TYR A 74 -5.148 -1.248 0.095 1.00 0.00 C ATOM 1254 CZ TYR A 74 -6.296 -0.609 -0.425 1.00 0.00 C ATOM 1255 OH TYR A 74 -7.247 -0.122 0.415 1.00 0.00 O ATOM 0 H TYR A 74 -4.193 -4.503 -2.216 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.821 -3.040 -4.549 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.561 -2.725 -2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.983 -1.545 -3.761 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.639 -0.929 -3.759 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.316 -2.291 -0.393 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.324 0.046 -2.212 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.002 -1.315 1.163 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.122 -0.161 -0.024 1.00 0.00 H new ATOM 1265 N ILE A 75 -1.906 -4.654 -4.476 1.00 0.00 N ATOM 1266 CA ILE A 75 -0.752 -5.109 -5.266 1.00 0.00 C ATOM 1267 C ILE A 75 -1.177 -6.076 -6.396 1.00 0.00 C ATOM 1268 O ILE A 75 -0.515 -6.139 -7.431 1.00 0.00 O ATOM 1269 CB ILE A 75 0.313 -5.690 -4.301 1.00 0.00 C ATOM 1270 CG1 ILE A 75 0.753 -4.598 -3.287 1.00 0.00 C ATOM 1271 CG2 ILE A 75 1.537 -6.234 -5.062 1.00 0.00 C ATOM 1272 CD1 ILE A 75 1.679 -5.087 -2.170 1.00 0.00 C ATOM 0 H ILE A 75 -1.873 -4.960 -3.504 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.298 -4.267 -5.789 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.138 -6.526 -3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.256 -3.799 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.138 -4.163 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.260 -6.632 -4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.221 -7.027 -5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.997 -5.429 -5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.930 -4.253 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.175 -5.863 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.592 -5.494 -2.606 1.00 0.00 H new ATOM 1284 N LYS A 76 -2.310 -6.778 -6.249 1.00 0.00 N ATOM 1285 CA LYS A 76 -2.878 -7.701 -7.245 1.00 0.00 C ATOM 1286 C LYS A 76 -3.683 -7.017 -8.356 1.00 0.00 C ATOM 1287 O LYS A 76 -3.758 -7.586 -9.444 1.00 0.00 O ATOM 1288 CB LYS A 76 -3.730 -8.760 -6.524 1.00 0.00 C ATOM 1289 CG LYS A 76 -2.911 -9.755 -5.683 1.00 0.00 C ATOM 1290 CD LYS A 76 -2.235 -10.836 -6.545 1.00 0.00 C ATOM 1291 CE LYS A 76 -1.486 -11.845 -5.663 1.00 0.00 C ATOM 1292 NZ LYS A 76 -0.876 -12.942 -6.463 1.00 0.00 N ATOM 0 H LYS A 76 -2.877 -6.717 -5.403 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.036 -8.169 -7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.446 -8.255 -5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.306 -9.314 -7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.150 -9.212 -5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.564 -10.233 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.986 -11.354 -7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.540 -10.369 -7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.706 -11.328 -5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.175 -12.269 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.380 -13.600 -5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.622 -13.452 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.199 -12.541 -7.143 1.00 0.00 H new ATOM 1306 N ASN A 77 -4.254 -5.823 -8.133 1.00 0.00 N ATOM 1307 CA ASN A 77 -4.851 -5.031 -9.218 1.00 0.00 C ATOM 1308 C ASN A 77 -3.894 -3.957 -9.735 1.00 0.00 C ATOM 1309 O ASN A 77 -3.702 -3.814 -10.943 1.00 0.00 O ATOM 1310 CB ASN A 77 -6.197 -4.411 -8.824 1.00 0.00 C ATOM 1311 CG ASN A 77 -6.158 -3.244 -7.861 1.00 0.00 C ATOM 1312 OD1 ASN A 77 -6.073 -2.088 -8.246 1.00 0.00 O ATOM 1313 ND2 ASN A 77 -6.214 -3.483 -6.579 1.00 0.00 N ATOM 0 H ASN A 77 -4.314 -5.386 -7.213 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.042 -5.733 -10.030 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.699 -4.083 -9.734 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.815 -5.194 -8.384 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.187 -2.710 -5.914 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.285 -4.443 -6.242 1.00 0.00 H new ATOM 1597 N GLU A 95 11.106 13.249 -33.516 1.00 0.00 N ATOM 1598 CA GLU A 95 10.544 13.420 -34.871 1.00 0.00 C ATOM 1599 C GLU A 95 10.942 14.776 -35.491 1.00 0.00 C ATOM 1600 O GLU A 95 10.134 15.703 -35.592 1.00 0.00 O ATOM 1601 CB GLU A 95 9.017 13.212 -34.843 1.00 0.00 C ATOM 1602 CG GLU A 95 8.612 11.789 -34.438 1.00 0.00 C ATOM 1603 CD GLU A 95 7.095 11.583 -34.612 1.00 0.00 C ATOM 1604 OE1 GLU A 95 6.669 10.998 -35.639 1.00 0.00 O ATOM 1605 OE2 GLU A 95 6.309 12.006 -33.727 1.00 0.00 O ATOM 0 HA GLU A 95 10.972 12.656 -35.520 1.00 0.00 H new ATOM 0 HB2 GLU A 95 8.572 13.922 -34.146 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.608 13.433 -35.829 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.154 11.065 -35.046 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.892 11.608 -33.400 1.00 0.00 H new ATOM 1612 N GLU A 96 12.211 14.911 -35.892 1.00 0.00 N ATOM 1613 CA GLU A 96 12.764 16.127 -36.515 1.00 0.00 C ATOM 1614 C GLU A 96 13.834 15.769 -37.563 1.00 0.00 C ATOM 1615 O GLU A 96 14.872 15.192 -37.227 1.00 0.00 O ATOM 1616 CB GLU A 96 13.310 17.057 -35.406 1.00 0.00 C ATOM 1617 CG GLU A 96 13.182 18.555 -35.717 1.00 0.00 C ATOM 1618 CD GLU A 96 14.041 19.002 -36.913 1.00 0.00 C ATOM 1619 OE1 GLU A 96 15.272 19.185 -36.747 1.00 0.00 O ATOM 1620 OE2 GLU A 96 13.480 19.188 -38.018 1.00 0.00 O ATOM 0 H GLU A 96 12.899 14.165 -35.792 1.00 0.00 H new ATOM 0 HA GLU A 96 11.979 16.660 -37.051 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.781 16.844 -34.477 1.00 0.00 H new ATOM 0 HB3 GLU A 96 14.361 16.822 -35.236 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.137 18.789 -35.921 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.471 19.128 -34.836 1.00 0.00 H new ATOM 1627 N VAL A 97 13.571 16.091 -38.838 1.00 0.00 N ATOM 1628 CA VAL A 97 14.474 15.851 -39.979 1.00 0.00 C ATOM 1629 C VAL A 97 14.428 17.032 -40.961 1.00 0.00 C ATOM 1630 O VAL A 97 13.341 17.450 -41.371 1.00 0.00 O ATOM 1631 CB VAL A 97 14.124 14.539 -40.726 1.00 0.00 C ATOM 1632 CG1 VAL A 97 15.088 14.262 -41.892 1.00 0.00 C ATOM 1633 CG2 VAL A 97 14.158 13.306 -39.813 1.00 0.00 C ATOM 0 H VAL A 97 12.698 16.540 -39.115 1.00 0.00 H new ATOM 0 HA VAL A 97 15.482 15.753 -39.576 1.00 0.00 H new ATOM 0 HB VAL A 97 13.111 14.698 -41.095 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.804 13.333 -42.386 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.039 15.083 -42.607 1.00 0.00 H new ATOM 0 HG13 VAL A 97 16.105 14.174 -41.510 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.905 12.418 -40.392 1.00 0.00 H new ATOM 0 HG22 VAL A 97 15.157 13.192 -39.392 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.436 13.431 -39.006 1.00 0.00 H new ATOM 1643 N SER A 98 15.597 17.532 -41.385 1.00 0.00 N ATOM 1644 CA SER A 98 15.703 18.663 -42.334 1.00 0.00 C ATOM 1645 C SER A 98 15.908 18.222 -43.790 1.00 0.00 C ATOM 1646 O SER A 98 15.193 18.684 -44.682 1.00 0.00 O ATOM 1647 CB SER A 98 16.836 19.617 -41.925 1.00 0.00 C ATOM 1648 OG SER A 98 16.601 20.154 -40.634 1.00 0.00 O ATOM 0 H SER A 98 16.500 17.167 -41.083 1.00 0.00 H new ATOM 0 HA SER A 98 14.744 19.179 -42.285 1.00 0.00 H new ATOM 0 HB2 SER A 98 17.787 19.085 -41.935 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.916 20.426 -42.651 1.00 0.00 H new ATOM 0 HG SER A 98 17.335 20.757 -40.392 1.00 0.00 H new ATOM 1654 N SER A 99 16.881 17.337 -44.041 1.00 0.00 N ATOM 1655 CA SER A 99 17.212 16.808 -45.380 1.00 0.00 C ATOM 1656 C SER A 99 17.996 15.488 -45.309 1.00 0.00 C ATOM 1657 O SER A 99 17.603 14.497 -45.928 1.00 0.00 O ATOM 1658 CB SER A 99 18.028 17.854 -46.156 1.00 0.00 C ATOM 1659 OG SER A 99 18.315 17.405 -47.470 1.00 0.00 O ATOM 0 H SER A 99 17.476 16.957 -43.305 1.00 0.00 H new ATOM 0 HA SER A 99 16.273 16.601 -45.894 1.00 0.00 H new ATOM 0 HB2 SER A 99 17.474 18.791 -46.202 1.00 0.00 H new ATOM 0 HB3 SER A 99 18.959 18.059 -45.627 1.00 0.00 H new ATOM 0 HG SER A 99 18.833 18.089 -47.943 1.00 0.00 H new ATOM 1665 N MET A 100 19.075 15.455 -44.511 1.00 0.00 N ATOM 1666 CA MET A 100 20.018 14.325 -44.403 1.00 0.00 C ATOM 1667 C MET A 100 20.121 13.757 -42.969 1.00 0.00 C ATOM 1668 O MET A 100 21.061 13.032 -42.643 1.00 0.00 O ATOM 1669 CB MET A 100 21.382 14.772 -44.968 1.00 0.00 C ATOM 1670 CG MET A 100 22.224 13.631 -45.555 1.00 0.00 C ATOM 1671 SD MET A 100 21.537 12.884 -47.062 1.00 0.00 S ATOM 1672 CE MET A 100 22.885 11.745 -47.479 1.00 0.00 C ATOM 0 H MET A 100 19.325 16.236 -43.904 1.00 0.00 H new ATOM 0 HA MET A 100 19.640 13.491 -44.995 1.00 0.00 H new ATOM 0 HB2 MET A 100 21.214 15.520 -45.743 1.00 0.00 H new ATOM 0 HB3 MET A 100 21.950 15.257 -44.174 1.00 0.00 H new ATOM 0 HG2 MET A 100 23.222 14.009 -45.775 1.00 0.00 H new ATOM 0 HG3 MET A 100 22.337 12.854 -44.799 1.00 0.00 H new ATOM 0 HE1 MET A 100 22.631 11.198 -48.387 1.00 0.00 H new ATOM 0 HE2 MET A 100 23.803 12.311 -47.641 1.00 0.00 H new ATOM 0 HE3 MET A 100 23.033 11.041 -46.660 1.00 0.00 H new ATOM 1682 N GLU A 101 19.169 14.087 -42.087 1.00 0.00 N ATOM 1683 CA GLU A 101 19.185 13.730 -40.656 1.00 0.00 C ATOM 1684 C GLU A 101 18.646 12.300 -40.398 1.00 0.00 C ATOM 1685 O GLU A 101 17.756 12.076 -39.574 1.00 0.00 O ATOM 1686 CB GLU A 101 18.504 14.837 -39.818 1.00 0.00 C ATOM 1687 CG GLU A 101 19.251 15.176 -38.518 1.00 0.00 C ATOM 1688 CD GLU A 101 19.420 13.983 -37.553 1.00 0.00 C ATOM 1689 OE1 GLU A 101 18.644 13.866 -36.572 1.00 0.00 O ATOM 1690 OE2 GLU A 101 20.373 13.186 -37.736 1.00 0.00 O ATOM 0 H GLU A 101 18.343 14.624 -42.352 1.00 0.00 H new ATOM 0 HA GLU A 101 20.220 13.684 -40.317 1.00 0.00 H new ATOM 0 HB2 GLU A 101 18.420 15.739 -40.424 1.00 0.00 H new ATOM 0 HB3 GLU A 101 17.490 14.522 -39.572 1.00 0.00 H new ATOM 0 HG2 GLU A 101 20.237 15.567 -38.770 1.00 0.00 H new ATOM 0 HG3 GLU A 101 18.715 15.973 -38.002 1.00 0.00 H new ATOM 1697 N ALA A 102 19.148 11.326 -41.164 1.00 0.00 N ATOM 1698 CA ALA A 102 18.723 9.923 -41.153 1.00 0.00 C ATOM 1699 C ALA A 102 19.907 8.952 -41.341 1.00 0.00 C ATOM 1700 O ALA A 102 20.932 9.304 -41.935 1.00 0.00 O ATOM 1701 CB ALA A 102 17.662 9.729 -42.247 1.00 0.00 C ATOM 0 H ALA A 102 19.894 11.502 -41.837 1.00 0.00 H new ATOM 0 HA ALA A 102 18.298 9.689 -40.177 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.333 8.690 -42.255 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.810 10.378 -42.046 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.090 9.981 -43.217 1.00 0.00 H new ATOM 1707 N LYS A 103 19.759 7.713 -40.852 1.00 0.00 N ATOM 1708 CA LYS A 103 20.771 6.646 -40.958 1.00 0.00 C ATOM 1709 C LYS A 103 20.695 5.915 -42.307 1.00 0.00 C ATOM 1710 O LYS A 103 19.621 5.491 -42.737 1.00 0.00 O ATOM 1711 CB LYS A 103 20.617 5.651 -39.789 1.00 0.00 C ATOM 1712 CG LYS A 103 21.039 6.215 -38.417 1.00 0.00 C ATOM 1713 CD LYS A 103 22.469 5.841 -37.987 1.00 0.00 C ATOM 1714 CE LYS A 103 23.554 6.374 -38.931 1.00 0.00 C ATOM 1715 NZ LYS A 103 24.917 6.036 -38.439 1.00 0.00 N ATOM 0 H LYS A 103 18.916 7.416 -40.361 1.00 0.00 H new ATOM 0 HA LYS A 103 21.754 7.113 -40.901 1.00 0.00 H new ATOM 0 HB2 LYS A 103 19.576 5.332 -39.733 1.00 0.00 H new ATOM 0 HB3 LYS A 103 21.212 4.763 -40.002 1.00 0.00 H new ATOM 0 HG2 LYS A 103 20.953 7.301 -38.443 1.00 0.00 H new ATOM 0 HG3 LYS A 103 20.340 5.858 -37.661 1.00 0.00 H new ATOM 0 HD2 LYS A 103 22.650 6.227 -36.984 1.00 0.00 H new ATOM 0 HD3 LYS A 103 22.550 4.756 -37.930 1.00 0.00 H new ATOM 0 HE2 LYS A 103 23.411 5.954 -39.926 1.00 0.00 H new ATOM 0 HE3 LYS A 103 23.457 7.456 -39.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 25.627 6.411 -39.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 25.061 6.458 -37.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 25.016 5.003 -38.373 1.00 0.00 H new