USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 534 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -116:sc= -3.89! (180deg=-5.86!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 55:sc= 0.167 USER MOD Single : A 19 MET CE :methyl -120:sc= -0.654 (180deg=-3.42) USER MOD Single : A 23 ASN : amide:sc= -6.51! C(o=-6.5!,f=-9.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= -0.0261 (180deg=-1.15!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 23:sc= 0.156 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 1:sc= -1.36 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -1.12 (180deg=-1.93!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N GLY A 7 3.326 8.519 -11.658 1.00 0.00 N ATOM 56 CA GLY A 7 3.634 8.067 -10.311 1.00 0.00 C ATOM 57 C GLY A 7 4.121 6.617 -10.316 1.00 0.00 C ATOM 58 O GLY A 7 4.277 6.015 -11.378 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.399 8.709 -9.874 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.747 8.154 -9.683 1.00 0.00 H new ATOM 62 N ILE A 8 4.348 6.098 -9.119 1.00 0.00 N ATOM 63 CA ILE A 8 4.815 4.730 -8.972 1.00 0.00 C ATOM 64 C ILE A 8 3.633 3.829 -8.607 1.00 0.00 C ATOM 65 O ILE A 8 3.135 3.878 -7.483 1.00 0.00 O ATOM 66 CB ILE A 8 5.972 4.662 -7.974 1.00 0.00 C ATOM 67 CG1 ILE A 8 7.161 5.495 -8.455 1.00 0.00 C ATOM 68 CG2 ILE A 8 6.366 3.211 -7.688 1.00 0.00 C ATOM 69 CD1 ILE A 8 7.906 6.122 -7.274 1.00 0.00 C ATOM 0 H ILE A 8 4.217 6.600 -8.241 1.00 0.00 H new ATOM 0 HA ILE A 8 5.218 4.362 -9.915 1.00 0.00 H new ATOM 0 HB ILE A 8 5.636 5.095 -7.032 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.843 4.865 -9.027 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.812 6.279 -9.127 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.191 3.192 -6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.512 2.678 -7.270 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.676 2.729 -8.615 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.747 6.709 -7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.228 6.770 -6.719 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.275 5.334 -6.617 1.00 0.00 H new ATOM 80 N LYS A 9 3.218 3.028 -9.577 1.00 0.00 N ATOM 81 CA LYS A 9 2.104 2.118 -9.371 1.00 0.00 C ATOM 82 C LYS A 9 2.582 0.908 -8.567 1.00 0.00 C ATOM 83 O LYS A 9 3.470 0.178 -9.005 1.00 0.00 O ATOM 84 CB LYS A 9 1.458 1.752 -10.709 1.00 0.00 C ATOM 85 CG LYS A 9 2.290 0.703 -11.451 1.00 0.00 C ATOM 86 CD LYS A 9 1.692 0.402 -12.826 1.00 0.00 C ATOM 87 CE LYS A 9 1.271 1.691 -13.536 1.00 0.00 C ATOM 88 NZ LYS A 9 0.910 1.413 -14.944 1.00 0.00 N ATOM 0 H LYS A 9 3.633 2.990 -10.508 1.00 0.00 H new ATOM 0 HA LYS A 9 1.321 2.600 -8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.452 1.369 -10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.359 2.645 -11.326 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.313 1.060 -11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.336 -0.213 -10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.422 -0.131 -13.435 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.829 -0.255 -12.715 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.422 2.138 -13.018 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.084 2.416 -13.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.627 2.298 -15.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.730 1.007 -15.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.119 0.738 -14.973 1.00 0.00 H new ATOM 98 N ILE A 10 1.972 0.732 -7.404 1.00 0.00 N ATOM 99 CA ILE A 10 2.324 -0.377 -6.535 1.00 0.00 C ATOM 100 C ILE A 10 1.718 -1.668 -7.090 1.00 0.00 C ATOM 101 O ILE A 10 0.509 -1.879 -6.998 1.00 0.00 O ATOM 102 CB ILE A 10 1.916 -0.078 -5.091 1.00 0.00 C ATOM 103 CG1 ILE A 10 2.506 1.253 -4.619 1.00 0.00 C ATOM 104 CG2 ILE A 10 2.293 -1.233 -4.162 1.00 0.00 C ATOM 105 CD1 ILE A 10 1.981 1.625 -3.231 1.00 0.00 C ATOM 0 H ILE A 10 1.236 1.339 -7.044 1.00 0.00 H new ATOM 0 HA ILE A 10 3.405 -0.515 -6.514 1.00 0.00 H new ATOM 0 HB ILE A 10 0.831 0.020 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.594 1.184 -4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.253 2.039 -5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.991 -0.993 -3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.785 -2.141 -4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.371 -1.389 -4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.416 2.575 -2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.895 1.717 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.257 0.849 -2.518 1.00 0.00 H new ATOM 116 N LEU A 11 2.584 -2.497 -7.652 1.00 0.00 N ATOM 117 CA LEU A 11 2.150 -3.760 -8.222 1.00 0.00 C ATOM 118 C LEU A 11 2.487 -4.896 -7.253 1.00 0.00 C ATOM 119 O LEU A 11 3.548 -4.890 -6.631 1.00 0.00 O ATOM 120 CB LEU A 11 2.740 -3.949 -9.621 1.00 0.00 C ATOM 121 CG LEU A 11 2.492 -2.811 -10.613 1.00 0.00 C ATOM 122 CD1 LEU A 11 2.731 -3.275 -12.051 1.00 0.00 C ATOM 123 CD2 LEU A 11 1.095 -2.217 -10.428 1.00 0.00 C ATOM 0 H LEU A 11 3.586 -2.318 -7.725 1.00 0.00 H new ATOM 0 HA LEU A 11 1.068 -3.765 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.816 -4.091 -9.524 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.334 -4.868 -10.044 1.00 0.00 H new ATOM 0 HG LEU A 11 3.210 -2.017 -10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.548 -2.447 -12.736 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.762 -3.613 -12.158 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.054 -4.096 -12.286 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.945 -1.410 -11.145 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.346 -2.992 -10.591 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.997 -1.825 -9.416 1.00 0.00 H new ATOM 134 N MET A 12 1.566 -5.842 -7.156 1.00 0.00 N ATOM 135 CA MET A 12 1.752 -6.981 -6.274 1.00 0.00 C ATOM 136 C MET A 12 3.061 -7.709 -6.589 1.00 0.00 C ATOM 137 O MET A 12 3.203 -8.305 -7.655 1.00 0.00 O ATOM 138 CB MET A 12 0.579 -7.949 -6.434 1.00 0.00 C ATOM 139 CG MET A 12 0.816 -9.235 -5.641 1.00 0.00 C ATOM 140 SD MET A 12 0.673 -8.910 -3.891 1.00 0.00 S ATOM 141 CE MET A 12 -1.089 -9.106 -3.683 1.00 0.00 C ATOM 0 H MET A 12 0.687 -5.843 -7.674 1.00 0.00 H new ATOM 0 HA MET A 12 1.797 -6.618 -5.247 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.340 -7.472 -6.093 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.442 -8.188 -7.489 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.092 -9.994 -5.938 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.806 -9.633 -5.865 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.527 -8.156 -3.378 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.533 -9.425 -4.626 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.284 -9.857 -2.918 1.00 0.00 H new ATOM 149 N PRO A 13 4.008 -7.635 -5.615 1.00 0.00 N ATOM 150 CA PRO A 13 5.300 -8.280 -5.778 1.00 0.00 C ATOM 151 C PRO A 13 5.183 -9.795 -5.597 1.00 0.00 C ATOM 152 O PRO A 13 4.346 -10.270 -4.831 1.00 0.00 O ATOM 153 CB PRO A 13 6.199 -7.626 -4.742 1.00 0.00 C ATOM 154 CG PRO A 13 5.267 -6.976 -3.731 1.00 0.00 C ATOM 155 CD PRO A 13 3.874 -6.939 -4.339 1.00 0.00 C ATOM 0 HA PRO A 13 5.711 -8.153 -6.780 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.842 -8.363 -4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.852 -6.885 -5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.262 -7.540 -2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.606 -5.968 -3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.147 -7.432 -3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.531 -5.914 -4.481 1.00 0.00 H new ATOM 160 N SER A 14 6.034 -10.512 -6.316 1.00 0.00 N ATOM 161 CA SER A 14 6.037 -11.963 -6.245 1.00 0.00 C ATOM 162 C SER A 14 6.713 -12.423 -4.952 1.00 0.00 C ATOM 163 O SER A 14 7.686 -13.173 -4.988 1.00 0.00 O ATOM 164 CB SER A 14 6.742 -12.572 -7.458 1.00 0.00 C ATOM 165 OG SER A 14 6.507 -11.822 -8.646 1.00 0.00 O ATOM 0 H SER A 14 6.726 -10.115 -6.951 1.00 0.00 H new ATOM 0 HA SER A 14 5.003 -12.307 -6.249 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.814 -12.621 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.396 -13.596 -7.602 1.00 0.00 H new ATOM 0 HG SER A 14 6.976 -12.243 -9.397 1.00 0.00 H new ATOM 170 N LEU A 15 6.170 -11.951 -3.839 1.00 0.00 N ATOM 171 CA LEU A 15 6.708 -12.304 -2.536 1.00 0.00 C ATOM 172 C LEU A 15 7.062 -13.793 -2.521 1.00 0.00 C ATOM 173 O LEU A 15 8.176 -14.167 -2.157 1.00 0.00 O ATOM 174 CB LEU A 15 5.740 -11.892 -1.426 1.00 0.00 C ATOM 175 CG LEU A 15 5.467 -10.393 -1.297 1.00 0.00 C ATOM 176 CD1 LEU A 15 4.121 -10.137 -0.614 1.00 0.00 C ATOM 177 CD2 LEU A 15 6.618 -9.685 -0.579 1.00 0.00 C ATOM 0 H LEU A 15 5.363 -11.327 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 15 7.629 -11.754 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.791 -12.401 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.133 -12.253 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 15 5.405 -9.970 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.952 -9.063 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.322 -10.588 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.129 -10.577 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.398 -8.620 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.737 -10.105 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.540 -9.824 -1.144 1.00 0.00 H new ATOM 188 N SER A 16 6.093 -14.603 -2.923 1.00 0.00 N ATOM 189 CA SER A 16 6.289 -16.042 -2.961 1.00 0.00 C ATOM 190 C SER A 16 6.923 -16.450 -4.292 1.00 0.00 C ATOM 191 O SER A 16 6.817 -15.727 -5.281 1.00 0.00 O ATOM 192 CB SER A 16 4.966 -16.784 -2.754 1.00 0.00 C ATOM 193 OG SER A 16 4.983 -17.589 -1.579 1.00 0.00 O ATOM 0 H SER A 16 5.170 -14.290 -3.225 1.00 0.00 H new ATOM 0 HA SER A 16 6.960 -16.317 -2.147 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.152 -16.062 -2.687 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.764 -17.413 -3.621 1.00 0.00 H new ATOM 0 HG SER A 16 4.121 -18.044 -1.482 1.00 0.00 H new ATOM 198 N PRO A 17 7.587 -17.637 -4.273 1.00 0.00 N ATOM 199 CA PRO A 17 8.238 -18.148 -5.466 1.00 0.00 C ATOM 200 C PRO A 17 7.211 -18.699 -6.458 1.00 0.00 C ATOM 201 O PRO A 17 7.485 -18.790 -7.654 1.00 0.00 O ATOM 202 CB PRO A 17 9.204 -19.209 -4.963 1.00 0.00 C ATOM 203 CG PRO A 17 8.729 -19.578 -3.567 1.00 0.00 C ATOM 204 CD PRO A 17 7.733 -18.520 -3.119 1.00 0.00 C ATOM 0 HA PRO A 17 8.769 -17.374 -6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.203 -20.080 -5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.225 -18.828 -4.940 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.263 -20.564 -3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.572 -19.626 -2.877 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.779 -18.967 -2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.098 -17.976 -2.248 1.00 0.00 H new ATOM 209 N THR A 18 6.051 -19.052 -5.925 1.00 0.00 N ATOM 210 CA THR A 18 4.982 -19.591 -6.749 1.00 0.00 C ATOM 211 C THR A 18 3.627 -19.050 -6.285 1.00 0.00 C ATOM 212 O THR A 18 2.740 -19.820 -5.919 1.00 0.00 O ATOM 213 CB THR A 18 5.075 -21.117 -6.705 1.00 0.00 C ATOM 214 OG1 THR A 18 4.929 -21.434 -5.322 1.00 0.00 O ATOM 215 CG2 THR A 18 6.472 -21.630 -7.059 1.00 0.00 C ATOM 0 H THR A 18 5.828 -18.975 -4.933 1.00 0.00 H new ATOM 0 HA THR A 18 5.084 -19.275 -7.787 1.00 0.00 H new ATOM 0 HB THR A 18 4.347 -21.544 -7.394 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.103 -21.032 -4.980 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.482 -22.719 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.734 -21.307 -8.067 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.197 -21.230 -6.350 1.00 0.00 H new ATOM 223 N MET A 19 3.511 -17.731 -6.316 1.00 0.00 N ATOM 224 CA MET A 19 2.280 -17.079 -5.904 1.00 0.00 C ATOM 225 C MET A 19 1.560 -16.456 -7.102 1.00 0.00 C ATOM 226 O MET A 19 2.202 -15.950 -8.021 1.00 0.00 O ATOM 227 CB MET A 19 2.598 -15.990 -4.878 1.00 0.00 C ATOM 228 CG MET A 19 1.603 -14.831 -4.982 1.00 0.00 C ATOM 229 SD MET A 19 1.824 -13.711 -3.609 1.00 0.00 S ATOM 230 CE MET A 19 1.259 -12.192 -4.354 1.00 0.00 C ATOM 0 H MET A 19 4.249 -17.096 -6.620 1.00 0.00 H new ATOM 0 HA MET A 19 1.625 -17.829 -5.461 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.567 -16.412 -3.873 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.611 -15.620 -5.037 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.748 -14.300 -5.922 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.583 -15.216 -4.988 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.065 -11.459 -4.342 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.957 -12.382 -5.384 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.409 -11.805 -3.792 1.00 0.00 H new ATOM 238 N GLU A 20 0.238 -16.517 -7.054 1.00 0.00 N ATOM 239 CA GLU A 20 -0.576 -15.965 -8.125 1.00 0.00 C ATOM 240 C GLU A 20 -1.328 -14.725 -7.636 1.00 0.00 C ATOM 241 O GLU A 20 -1.674 -13.852 -8.430 1.00 0.00 O ATOM 242 CB GLU A 20 -1.545 -17.015 -8.673 1.00 0.00 C ATOM 243 CG GLU A 20 -1.472 -17.086 -10.199 1.00 0.00 C ATOM 244 CD GLU A 20 -2.193 -18.328 -10.725 1.00 0.00 C ATOM 245 OE1 GLU A 20 -3.438 -18.262 -10.825 1.00 0.00 O ATOM 246 OE2 GLU A 20 -1.485 -19.316 -11.015 1.00 0.00 O ATOM 0 H GLU A 20 -0.290 -16.940 -6.291 1.00 0.00 H new ATOM 0 HA GLU A 20 0.083 -15.667 -8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.308 -17.990 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.562 -16.772 -8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.920 -16.191 -10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.429 -17.105 -10.516 1.00 0.00 H new ATOM 251 N GLU A 21 -1.558 -14.688 -6.332 1.00 0.00 N ATOM 252 CA GLU A 21 -2.262 -13.570 -5.728 1.00 0.00 C ATOM 253 C GLU A 21 -1.924 -13.472 -4.239 1.00 0.00 C ATOM 254 O GLU A 21 -1.127 -14.256 -3.727 1.00 0.00 O ATOM 255 CB GLU A 21 -3.772 -13.695 -5.940 1.00 0.00 C ATOM 256 CG GLU A 21 -4.309 -14.984 -5.317 1.00 0.00 C ATOM 257 CD GLU A 21 -5.368 -14.681 -4.254 1.00 0.00 C ATOM 258 OE1 GLU A 21 -5.008 -13.987 -3.277 1.00 0.00 O ATOM 259 OE2 GLU A 21 -6.511 -15.150 -4.440 1.00 0.00 O ATOM 0 H GLU A 21 -1.269 -15.414 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.934 -12.652 -6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.277 -12.836 -5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.995 -13.682 -7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.739 -15.616 -6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.489 -15.544 -4.869 1.00 0.00 H new ATOM 264 N GLY A 22 -2.547 -12.502 -3.587 1.00 0.00 N ATOM 265 CA GLY A 22 -2.322 -12.290 -2.166 1.00 0.00 C ATOM 266 C GLY A 22 -3.541 -11.638 -1.509 1.00 0.00 C ATOM 267 O GLY A 22 -4.485 -11.247 -2.193 1.00 0.00 O ATOM 0 H GLY A 22 -3.208 -11.854 -4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.110 -13.243 -1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.446 -11.658 -2.023 1.00 0.00 H new ATOM 271 N ASN A 23 -3.480 -11.541 -0.189 1.00 0.00 N ATOM 272 CA ASN A 23 -4.566 -10.943 0.568 1.00 0.00 C ATOM 273 C ASN A 23 -4.004 -9.858 1.488 1.00 0.00 C ATOM 274 O ASN A 23 -3.282 -10.159 2.438 1.00 0.00 O ATOM 275 CB ASN A 23 -5.270 -11.986 1.440 1.00 0.00 C ATOM 276 CG ASN A 23 -5.000 -13.402 0.926 1.00 0.00 C ATOM 277 OD1 ASN A 23 -4.809 -13.635 -0.256 1.00 0.00 O ATOM 278 ND2 ASN A 23 -4.997 -14.330 1.878 1.00 0.00 N ATOM 0 H ASN A 23 -2.695 -11.867 0.375 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.281 -10.525 -0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.925 -11.897 2.470 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.343 -11.796 1.446 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.827 -15.307 1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.164 -14.065 2.849 1.00 0.00 H new ATOM 284 N ILE A 24 -4.355 -8.620 1.175 1.00 0.00 N ATOM 285 CA ILE A 24 -3.895 -7.489 1.963 1.00 0.00 C ATOM 286 C ILE A 24 -4.507 -7.566 3.363 1.00 0.00 C ATOM 287 O ILE A 24 -5.677 -7.238 3.552 1.00 0.00 O ATOM 288 CB ILE A 24 -4.187 -6.176 1.235 1.00 0.00 C ATOM 289 CG1 ILE A 24 -3.282 -6.014 0.012 1.00 0.00 C ATOM 290 CG2 ILE A 24 -4.079 -4.984 2.189 1.00 0.00 C ATOM 291 CD1 ILE A 24 -4.107 -5.931 -1.274 1.00 0.00 C ATOM 0 H ILE A 24 -4.953 -8.375 0.386 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.813 -7.525 2.086 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.215 -6.208 0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.678 -5.113 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.592 -6.856 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.291 -4.063 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.798 -5.101 3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.071 -4.938 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.439 -5.816 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.692 -6.843 -1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.779 -5.074 -1.221 1.00 0.00 H new ATOM 302 N VAL A 25 -3.687 -7.999 4.309 1.00 0.00 N ATOM 303 CA VAL A 25 -4.132 -8.122 5.687 1.00 0.00 C ATOM 304 C VAL A 25 -4.522 -6.740 6.217 1.00 0.00 C ATOM 305 O VAL A 25 -5.685 -6.501 6.538 1.00 0.00 O ATOM 306 CB VAL A 25 -3.050 -8.801 6.528 1.00 0.00 C ATOM 307 CG1 VAL A 25 -3.581 -9.161 7.917 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.498 -10.037 5.816 1.00 0.00 C ATOM 0 H VAL A 25 -2.717 -8.269 4.149 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.017 -8.756 5.748 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.231 -8.093 6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.792 -9.642 8.495 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.904 -8.255 8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.426 -9.843 7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.730 -10.501 6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.305 -10.749 5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.064 -9.743 4.860 1.00 0.00 H new ATOM 318 N LYS A 26 -3.527 -5.868 6.294 1.00 0.00 N ATOM 319 CA LYS A 26 -3.753 -4.518 6.780 1.00 0.00 C ATOM 320 C LYS A 26 -2.694 -3.584 6.187 1.00 0.00 C ATOM 321 O LYS A 26 -1.579 -4.012 5.894 1.00 0.00 O ATOM 322 CB LYS A 26 -3.801 -4.500 8.309 1.00 0.00 C ATOM 323 CG LYS A 26 -4.108 -3.095 8.831 1.00 0.00 C ATOM 324 CD LYS A 26 -4.722 -3.153 10.232 1.00 0.00 C ATOM 325 CE LYS A 26 -3.635 -3.123 11.308 1.00 0.00 C ATOM 326 NZ LYS A 26 -3.738 -1.885 12.114 1.00 0.00 N ATOM 0 H LYS A 26 -2.563 -6.070 6.028 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.725 -4.151 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.562 -5.197 8.661 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.847 -4.841 8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.192 -2.504 8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.794 -2.592 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.400 -2.311 10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.316 -4.061 10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.732 -3.995 11.955 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.651 -3.180 10.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.993 -1.880 12.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.624 -1.057 11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.670 -1.847 12.574 1.00 0.00 H new ATOM 336 N TRP A 27 -3.083 -2.328 6.028 1.00 0.00 N ATOM 337 CA TRP A 27 -2.182 -1.330 5.475 1.00 0.00 C ATOM 338 C TRP A 27 -1.375 -0.732 6.628 1.00 0.00 C ATOM 339 O TRP A 27 -1.945 -0.243 7.603 1.00 0.00 O ATOM 340 CB TRP A 27 -2.953 -0.278 4.675 1.00 0.00 C ATOM 341 CG TRP A 27 -3.289 -0.706 3.246 1.00 0.00 C ATOM 342 CD1 TRP A 27 -4.381 -1.350 2.812 1.00 0.00 C ATOM 343 CD2 TRP A 27 -2.477 -0.494 2.071 1.00 0.00 C ATOM 344 NE1 TRP A 27 -4.334 -1.567 1.451 1.00 0.00 N ATOM 345 CE2 TRP A 27 -3.138 -1.030 0.985 1.00 0.00 C ATOM 346 CE3 TRP A 27 -1.225 0.130 1.932 1.00 0.00 C ATOM 347 CZ2 TRP A 27 -2.627 -0.996 -0.318 1.00 0.00 C ATOM 348 CZ3 TRP A 27 -0.727 0.156 0.623 1.00 0.00 C ATOM 349 CH2 TRP A 27 -1.381 -0.379 -0.481 1.00 0.00 C ATOM 0 H TRP A 27 -4.009 -1.978 6.272 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.491 -1.785 4.766 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -3.879 -0.044 5.200 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.365 0.639 4.640 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -5.196 -1.660 3.449 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -5.045 -2.035 0.889 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.690 0.555 2.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.165 -1.422 -1.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 0.232 0.625 0.460 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -0.930 -0.319 -1.460 1.00 0.00 H new ATOM 359 N LEU A 28 -0.059 -0.788 6.481 1.00 0.00 N ATOM 360 CA LEU A 28 0.832 -0.258 7.498 1.00 0.00 C ATOM 361 C LEU A 28 1.041 1.239 7.257 1.00 0.00 C ATOM 362 O LEU A 28 1.697 1.913 8.048 1.00 0.00 O ATOM 363 CB LEU A 28 2.133 -1.061 7.541 1.00 0.00 C ATOM 364 CG LEU A 28 2.005 -2.522 7.975 1.00 0.00 C ATOM 365 CD1 LEU A 28 3.377 -3.125 8.284 1.00 0.00 C ATOM 366 CD2 LEU A 28 1.040 -2.662 9.154 1.00 0.00 C ATOM 0 H LEU A 28 0.411 -1.193 5.672 1.00 0.00 H new ATOM 0 HA LEU A 28 0.386 -0.363 8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.585 -1.035 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.824 -0.560 8.220 1.00 0.00 H new ATOM 0 HG LEU A 28 1.583 -3.088 7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.257 -4.164 8.590 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.004 -3.079 7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.849 -2.562 9.089 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.968 -3.711 9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.409 -2.078 9.997 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.055 -2.297 8.863 1.00 0.00 H new ATOM 377 N LYS A 29 0.470 1.714 6.160 1.00 0.00 N ATOM 378 CA LYS A 29 0.585 3.119 5.804 1.00 0.00 C ATOM 379 C LYS A 29 -0.804 3.672 5.477 1.00 0.00 C ATOM 380 O LYS A 29 -1.723 2.914 5.169 1.00 0.00 O ATOM 381 CB LYS A 29 1.602 3.303 4.677 1.00 0.00 C ATOM 382 CG LYS A 29 2.996 2.855 5.118 1.00 0.00 C ATOM 383 CD LYS A 29 3.968 4.037 5.154 1.00 0.00 C ATOM 384 CE LYS A 29 5.419 3.557 5.085 1.00 0.00 C ATOM 385 NZ LYS A 29 6.347 4.660 5.420 1.00 0.00 N ATOM 0 H LYS A 29 -0.074 1.151 5.506 1.00 0.00 H new ATOM 0 HA LYS A 29 0.968 3.697 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.291 2.729 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.631 4.350 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.939 2.397 6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.370 2.093 4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.763 4.707 4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.814 4.611 6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.567 2.727 5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.637 3.182 4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.272 4.481 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.962 5.558 5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.459 4.718 6.452 1.00 0.00 H new ATOM 395 N LYS A 30 -0.913 4.991 5.552 1.00 0.00 N ATOM 396 CA LYS A 30 -2.173 5.655 5.268 1.00 0.00 C ATOM 397 C LYS A 30 -2.042 6.455 3.970 1.00 0.00 C ATOM 398 O LYS A 30 -0.932 6.751 3.529 1.00 0.00 O ATOM 399 CB LYS A 30 -2.618 6.496 6.466 1.00 0.00 C ATOM 400 CG LYS A 30 -2.960 5.607 7.664 1.00 0.00 C ATOM 401 CD LYS A 30 -4.474 5.434 7.804 1.00 0.00 C ATOM 402 CE LYS A 30 -4.856 3.953 7.829 1.00 0.00 C ATOM 403 NZ LYS A 30 -5.330 3.516 6.496 1.00 0.00 N ATOM 0 H LYS A 30 -0.149 5.617 5.805 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.963 4.921 5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.826 7.193 6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.487 7.094 6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.488 4.632 7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.555 6.047 8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.816 5.917 8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.979 5.930 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.996 3.355 8.129 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.636 3.785 8.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.585 2.508 6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.164 4.075 6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.575 3.658 5.795 1.00 0.00 H new ATOM 413 N GLU A 31 -3.190 6.781 3.395 1.00 0.00 N ATOM 414 CA GLU A 31 -3.216 7.541 2.157 1.00 0.00 C ATOM 415 C GLU A 31 -2.768 8.982 2.408 1.00 0.00 C ATOM 416 O GLU A 31 -3.485 9.757 3.040 1.00 0.00 O ATOM 417 CB GLU A 31 -4.607 7.502 1.520 1.00 0.00 C ATOM 418 CG GLU A 31 -4.840 6.177 0.793 1.00 0.00 C ATOM 419 CD GLU A 31 -6.203 6.166 0.096 1.00 0.00 C ATOM 420 OE1 GLU A 31 -6.514 7.183 -0.560 1.00 0.00 O ATOM 421 OE2 GLU A 31 -6.903 5.139 0.237 1.00 0.00 O ATOM 0 H GLU A 31 -4.108 6.533 3.763 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.518 7.082 1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.367 7.637 2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.713 8.329 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.051 6.017 0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.785 5.353 1.504 1.00 0.00 H new ATOM 426 N GLY A 32 -1.585 9.297 1.901 1.00 0.00 N ATOM 427 CA GLY A 32 -1.034 10.632 2.063 1.00 0.00 C ATOM 428 C GLY A 32 0.332 10.580 2.751 1.00 0.00 C ATOM 429 O GLY A 32 1.224 11.364 2.429 1.00 0.00 O ATOM 0 H GLY A 32 -0.993 8.651 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.937 11.110 1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.719 11.243 2.651 1.00 0.00 H new ATOM 433 N GLU A 33 0.453 9.650 3.686 1.00 0.00 N ATOM 434 CA GLU A 33 1.694 9.486 4.423 1.00 0.00 C ATOM 435 C GLU A 33 2.848 9.191 3.461 1.00 0.00 C ATOM 436 O GLU A 33 2.630 8.681 2.363 1.00 0.00 O ATOM 437 CB GLU A 33 1.566 8.385 5.477 1.00 0.00 C ATOM 438 CG GLU A 33 0.994 8.940 6.783 1.00 0.00 C ATOM 439 CD GLU A 33 2.025 8.861 7.910 1.00 0.00 C ATOM 440 OE1 GLU A 33 2.703 7.814 7.986 1.00 0.00 O ATOM 441 OE2 GLU A 33 2.111 9.850 8.671 1.00 0.00 O ATOM 0 H GLU A 33 -0.289 9.002 3.950 1.00 0.00 H new ATOM 0 HA GLU A 33 1.909 10.419 4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.921 7.591 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.543 7.940 5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.687 9.976 6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.102 8.379 7.061 1.00 0.00 H new ATOM 446 N ALA A 34 4.050 9.526 3.908 1.00 0.00 N ATOM 447 CA ALA A 34 5.236 9.305 3.101 1.00 0.00 C ATOM 448 C ALA A 34 5.584 7.815 3.112 1.00 0.00 C ATOM 449 O ALA A 34 5.023 7.048 3.893 1.00 0.00 O ATOM 450 CB ALA A 34 6.380 10.175 3.625 1.00 0.00 C ATOM 0 H ALA A 34 4.227 9.949 4.819 1.00 0.00 H new ATOM 0 HA ALA A 34 5.055 9.594 2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.271 10.009 3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.094 11.225 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.592 9.912 4.661 1.00 0.00 H new ATOM 456 N VAL A 35 6.511 7.449 2.237 1.00 0.00 N ATOM 457 CA VAL A 35 6.941 6.065 2.138 1.00 0.00 C ATOM 458 C VAL A 35 8.448 6.022 1.879 1.00 0.00 C ATOM 459 O VAL A 35 8.992 6.897 1.209 1.00 0.00 O ATOM 460 CB VAL A 35 6.128 5.342 1.061 1.00 0.00 C ATOM 461 CG1 VAL A 35 6.512 3.862 0.987 1.00 0.00 C ATOM 462 CG2 VAL A 35 4.627 5.507 1.304 1.00 0.00 C ATOM 0 H VAL A 35 6.975 8.087 1.591 1.00 0.00 H new ATOM 0 HA VAL A 35 6.757 5.539 3.075 1.00 0.00 H new ATOM 0 HB VAL A 35 6.364 5.799 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.920 3.371 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.571 3.773 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.318 3.387 1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.073 4.984 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.368 5.089 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.369 6.566 1.284 1.00 0.00 H new ATOM 472 N SER A 36 9.080 4.992 2.425 1.00 0.00 N ATOM 473 CA SER A 36 10.514 4.823 2.261 1.00 0.00 C ATOM 474 C SER A 36 10.826 3.387 1.837 1.00 0.00 C ATOM 475 O SER A 36 10.252 2.439 2.372 1.00 0.00 O ATOM 476 CB SER A 36 11.259 5.169 3.551 1.00 0.00 C ATOM 477 OG SER A 36 10.858 6.432 4.078 1.00 0.00 O ATOM 0 H SER A 36 8.625 4.267 2.981 1.00 0.00 H new ATOM 0 HA SER A 36 10.853 5.507 1.483 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.077 4.392 4.294 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.332 5.181 3.358 1.00 0.00 H new ATOM 0 HG SER A 36 11.355 6.615 4.902 1.00 0.00 H new ATOM 482 N ALA A 37 11.735 3.271 0.880 1.00 0.00 N ATOM 483 CA ALA A 37 12.130 1.966 0.377 1.00 0.00 C ATOM 484 C ALA A 37 12.642 1.111 1.538 1.00 0.00 C ATOM 485 O ALA A 37 13.482 1.557 2.319 1.00 0.00 O ATOM 486 CB ALA A 37 13.175 2.139 -0.726 1.00 0.00 C ATOM 0 H ALA A 37 12.209 4.059 0.440 1.00 0.00 H new ATOM 0 HA ALA A 37 11.277 1.449 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.471 1.160 -1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.751 2.728 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.048 2.652 -0.323 1.00 0.00 H new ATOM 492 N GLY A 38 12.116 -0.103 1.615 1.00 0.00 N ATOM 493 CA GLY A 38 12.509 -1.024 2.668 1.00 0.00 C ATOM 494 C GLY A 38 11.452 -1.078 3.772 1.00 0.00 C ATOM 495 O GLY A 38 11.178 -2.144 4.322 1.00 0.00 O ATOM 0 H GLY A 38 11.421 -0.470 0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.654 -2.020 2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.465 -0.713 3.090 1.00 0.00 H new ATOM 499 N ASP A 39 10.886 0.084 4.064 1.00 0.00 N ATOM 500 CA ASP A 39 9.866 0.183 5.093 1.00 0.00 C ATOM 501 C ASP A 39 8.632 -0.611 4.659 1.00 0.00 C ATOM 502 O ASP A 39 8.276 -0.617 3.482 1.00 0.00 O ATOM 503 CB ASP A 39 9.440 1.636 5.310 1.00 0.00 C ATOM 504 CG ASP A 39 10.412 2.477 6.140 1.00 0.00 C ATOM 505 OD1 ASP A 39 11.628 2.205 6.039 1.00 0.00 O ATOM 506 OD2 ASP A 39 9.918 3.374 6.857 1.00 0.00 O ATOM 0 H ASP A 39 11.115 0.966 3.605 1.00 0.00 H new ATOM 0 HA ASP A 39 10.283 -0.212 6.019 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.312 2.111 4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.466 1.644 5.800 1.00 0.00 H new ATOM 510 N ALA A 40 8.014 -1.263 5.633 1.00 0.00 N ATOM 511 CA ALA A 40 6.828 -2.059 5.367 1.00 0.00 C ATOM 512 C ALA A 40 5.686 -1.135 4.937 1.00 0.00 C ATOM 513 O ALA A 40 5.533 -0.038 5.474 1.00 0.00 O ATOM 514 CB ALA A 40 6.476 -2.882 6.607 1.00 0.00 C ATOM 0 H ALA A 40 8.313 -1.256 6.608 1.00 0.00 H new ATOM 0 HA ALA A 40 7.011 -2.760 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.586 -3.479 6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.308 -3.542 6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.283 -2.213 7.445 1.00 0.00 H new ATOM 520 N LEU A 41 4.914 -1.612 3.971 1.00 0.00 N ATOM 521 CA LEU A 41 3.791 -0.843 3.464 1.00 0.00 C ATOM 522 C LEU A 41 2.486 -1.444 3.992 1.00 0.00 C ATOM 523 O LEU A 41 1.665 -0.738 4.577 1.00 0.00 O ATOM 524 CB LEU A 41 3.851 -0.750 1.937 1.00 0.00 C ATOM 525 CG LEU A 41 4.718 0.374 1.368 1.00 0.00 C ATOM 526 CD1 LEU A 41 4.924 0.199 -0.138 1.00 0.00 C ATOM 527 CD2 LEU A 41 4.130 1.746 1.709 1.00 0.00 C ATOM 0 H LEU A 41 5.044 -2.521 3.527 1.00 0.00 H new ATOM 0 HA LEU A 41 3.839 0.184 3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.221 -1.699 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.836 -0.625 1.560 1.00 0.00 H new ATOM 0 HG LEU A 41 5.700 0.318 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.544 1.011 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.418 -0.754 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.957 0.214 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.765 2.528 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.129 1.828 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.076 1.860 2.792 1.00 0.00 H new ATOM 538 N CYS A 42 2.334 -2.740 3.767 1.00 0.00 N ATOM 539 CA CYS A 42 1.145 -3.444 4.212 1.00 0.00 C ATOM 540 C CYS A 42 1.478 -4.933 4.318 1.00 0.00 C ATOM 541 O CYS A 42 2.558 -5.361 3.915 1.00 0.00 O ATOM 542 CB CYS A 42 -0.045 -3.189 3.284 1.00 0.00 C ATOM 543 SG CYS A 42 0.333 -3.803 1.601 1.00 0.00 S ATOM 0 H CYS A 42 3.016 -3.322 3.281 1.00 0.00 H new ATOM 0 HA CYS A 42 0.844 -3.070 5.191 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.933 -3.688 3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.268 -2.123 3.250 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.684 -3.584 0.821 1.00 0.00 H new ATOM 548 N GLU A 43 0.529 -5.682 4.862 1.00 0.00 N ATOM 549 CA GLU A 43 0.709 -7.114 5.026 1.00 0.00 C ATOM 550 C GLU A 43 -0.123 -7.875 3.992 1.00 0.00 C ATOM 551 O GLU A 43 -1.294 -7.561 3.778 1.00 0.00 O ATOM 552 CB GLU A 43 0.352 -7.553 6.447 1.00 0.00 C ATOM 553 CG GLU A 43 1.500 -7.264 7.415 1.00 0.00 C ATOM 554 CD GLU A 43 1.725 -8.440 8.366 1.00 0.00 C ATOM 555 OE1 GLU A 43 0.888 -8.600 9.282 1.00 0.00 O ATOM 556 OE2 GLU A 43 2.729 -9.156 8.157 1.00 0.00 O ATOM 0 H GLU A 43 -0.366 -5.324 5.194 1.00 0.00 H new ATOM 0 HA GLU A 43 1.761 -7.349 4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.547 -7.032 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.124 -8.619 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.413 -7.066 6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.278 -6.365 7.989 1.00 0.00 H new ATOM 561 N ILE A 44 0.513 -8.861 3.376 1.00 0.00 N ATOM 562 CA ILE A 44 -0.155 -9.670 2.370 1.00 0.00 C ATOM 563 C ILE A 44 -0.071 -11.144 2.768 1.00 0.00 C ATOM 564 O ILE A 44 0.943 -11.589 3.305 1.00 0.00 O ATOM 565 CB ILE A 44 0.416 -9.374 0.981 1.00 0.00 C ATOM 566 CG1 ILE A 44 0.361 -7.876 0.673 1.00 0.00 C ATOM 567 CG2 ILE A 44 -0.292 -10.205 -0.090 1.00 0.00 C ATOM 568 CD1 ILE A 44 0.842 -7.591 -0.751 1.00 0.00 C ATOM 0 H ILE A 44 1.484 -9.118 3.554 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.213 -9.415 2.316 1.00 0.00 H new ATOM 0 HB ILE A 44 1.466 -9.666 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.660 -7.513 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.980 -7.332 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.132 -9.976 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.158 -11.265 0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.356 -9.967 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.793 -6.519 -0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.871 -7.933 -0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.205 -8.117 -1.462 1.00 0.00 H new ATOM 579 N GLU A 45 -1.149 -11.861 2.490 1.00 0.00 N ATOM 580 CA GLU A 45 -1.210 -13.277 2.812 1.00 0.00 C ATOM 581 C GLU A 45 -0.694 -14.112 1.637 1.00 0.00 C ATOM 582 O GLU A 45 -0.970 -13.799 0.480 1.00 0.00 O ATOM 583 CB GLU A 45 -2.631 -13.691 3.196 1.00 0.00 C ATOM 584 CG GLU A 45 -2.769 -13.840 4.712 1.00 0.00 C ATOM 585 CD GLU A 45 -4.200 -13.546 5.165 1.00 0.00 C ATOM 586 OE1 GLU A 45 -4.821 -12.655 4.545 1.00 0.00 O ATOM 587 OE2 GLU A 45 -4.643 -14.219 6.121 1.00 0.00 O ATOM 0 H GLU A 45 -1.988 -11.488 2.045 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.568 -13.462 3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.340 -12.947 2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.883 -14.634 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.491 -14.851 5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.079 -13.160 5.212 1.00 0.00 H new ATOM 592 N THR A 46 0.047 -15.157 1.976 1.00 0.00 N ATOM 593 CA THR A 46 0.604 -16.038 0.964 1.00 0.00 C ATOM 594 C THR A 46 0.614 -17.484 1.464 1.00 0.00 C ATOM 595 O THR A 46 0.676 -17.729 2.667 1.00 0.00 O ATOM 596 CB THR A 46 1.993 -15.514 0.593 1.00 0.00 C ATOM 597 OG1 THR A 46 2.634 -15.310 1.850 1.00 0.00 O ATOM 598 CG2 THR A 46 1.944 -14.118 -0.032 1.00 0.00 C ATOM 0 H THR A 46 0.274 -15.413 2.937 1.00 0.00 H new ATOM 0 HA THR A 46 -0.009 -16.042 0.063 1.00 0.00 H new ATOM 0 HB THR A 46 2.469 -16.206 -0.102 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.201 -15.865 2.532 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.955 -13.793 -0.277 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.343 -14.147 -0.941 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.499 -13.418 0.675 1.00 0.00 H new ATOM 606 N ASP A 47 0.551 -18.405 0.513 1.00 0.00 N ATOM 607 CA ASP A 47 0.552 -19.821 0.842 1.00 0.00 C ATOM 608 C ASP A 47 1.630 -20.096 1.891 1.00 0.00 C ATOM 609 O ASP A 47 1.397 -20.834 2.848 1.00 0.00 O ATOM 610 CB ASP A 47 0.863 -20.672 -0.391 1.00 0.00 C ATOM 611 CG ASP A 47 0.285 -22.089 -0.362 1.00 0.00 C ATOM 612 OD1 ASP A 47 -0.117 -22.515 0.743 1.00 0.00 O ATOM 613 OD2 ASP A 47 0.257 -22.712 -1.445 1.00 0.00 O ATOM 0 H ASP A 47 0.499 -18.199 -0.485 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.437 -20.080 1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.482 -20.158 -1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.945 -20.739 -0.504 1.00 0.00 H new ATOM 617 N LYS A 48 2.789 -19.489 1.676 1.00 0.00 N ATOM 618 CA LYS A 48 3.904 -19.659 2.592 1.00 0.00 C ATOM 619 C LYS A 48 3.469 -19.252 4.000 1.00 0.00 C ATOM 620 O LYS A 48 3.222 -20.108 4.849 1.00 0.00 O ATOM 621 CB LYS A 48 5.133 -18.901 2.085 1.00 0.00 C ATOM 622 CG LYS A 48 6.067 -19.830 1.305 1.00 0.00 C ATOM 623 CD LYS A 48 7.195 -20.349 2.198 1.00 0.00 C ATOM 624 CE LYS A 48 6.835 -21.707 2.805 1.00 0.00 C ATOM 625 NZ LYS A 48 7.975 -22.248 3.577 1.00 0.00 N ATOM 0 H LYS A 48 2.979 -18.879 0.881 1.00 0.00 H new ATOM 0 HA LYS A 48 4.201 -20.707 2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.818 -18.076 1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.669 -18.465 2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.499 -20.670 0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.489 -19.296 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.112 -20.439 1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.392 -19.632 2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.965 -21.603 3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.560 -22.404 2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.714 -23.170 3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.795 -22.366 2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.219 -21.589 4.344 1.00 0.00 H new ATOM 635 N ALA A 49 3.388 -17.946 4.207 1.00 0.00 N ATOM 636 CA ALA A 49 2.986 -17.415 5.498 1.00 0.00 C ATOM 637 C ALA A 49 2.576 -15.950 5.338 1.00 0.00 C ATOM 638 O ALA A 49 2.420 -15.465 4.218 1.00 0.00 O ATOM 639 CB ALA A 49 4.127 -17.596 6.502 1.00 0.00 C ATOM 0 H ALA A 49 3.594 -17.239 3.501 1.00 0.00 H new ATOM 0 HA ALA A 49 2.123 -17.957 5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.826 -17.198 7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.359 -18.656 6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.010 -17.063 6.149 1.00 0.00 H new ATOM 645 N VAL A 50 2.415 -15.287 6.473 1.00 0.00 N ATOM 646 CA VAL A 50 2.027 -13.887 6.473 1.00 0.00 C ATOM 647 C VAL A 50 3.260 -13.019 6.210 1.00 0.00 C ATOM 648 O VAL A 50 4.070 -12.799 7.108 1.00 0.00 O ATOM 649 CB VAL A 50 1.320 -13.539 7.785 1.00 0.00 C ATOM 650 CG1 VAL A 50 2.231 -13.807 8.985 1.00 0.00 C ATOM 651 CG2 VAL A 50 0.835 -12.088 7.779 1.00 0.00 C ATOM 0 H VAL A 50 2.546 -15.693 7.399 1.00 0.00 H new ATOM 0 HA VAL A 50 1.314 -13.689 5.673 1.00 0.00 H new ATOM 0 HB VAL A 50 0.446 -14.184 7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.705 -13.552 9.905 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.506 -14.862 9.005 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.132 -13.199 8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.336 -11.867 8.723 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.687 -11.420 7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.135 -11.942 6.956 1.00 0.00 H new ATOM 661 N VAL A 51 3.362 -12.553 4.974 1.00 0.00 N ATOM 662 CA VAL A 51 4.482 -11.715 4.583 1.00 0.00 C ATOM 663 C VAL A 51 4.035 -10.252 4.550 1.00 0.00 C ATOM 664 O VAL A 51 2.838 -9.966 4.558 1.00 0.00 O ATOM 665 CB VAL A 51 5.052 -12.194 3.246 1.00 0.00 C ATOM 666 CG1 VAL A 51 5.820 -13.507 3.416 1.00 0.00 C ATOM 667 CG2 VAL A 51 3.945 -12.340 2.198 1.00 0.00 C ATOM 0 H VAL A 51 2.688 -12.740 4.231 1.00 0.00 H new ATOM 0 HA VAL A 51 5.288 -11.792 5.313 1.00 0.00 H new ATOM 0 HB VAL A 51 5.753 -11.438 2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.215 -13.825 2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.644 -13.359 4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.149 -14.273 3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.377 -12.682 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.210 -13.066 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.459 -11.376 2.045 1.00 0.00 H new ATOM 677 N THR A 52 5.018 -9.366 4.517 1.00 0.00 N ATOM 678 CA THR A 52 4.740 -7.940 4.484 1.00 0.00 C ATOM 679 C THR A 52 5.286 -7.320 3.197 1.00 0.00 C ATOM 680 O THR A 52 6.329 -7.736 2.696 1.00 0.00 O ATOM 681 CB THR A 52 5.321 -7.315 5.754 1.00 0.00 C ATOM 682 OG1 THR A 52 4.497 -7.823 6.800 1.00 0.00 O ATOM 683 CG2 THR A 52 5.107 -5.802 5.813 1.00 0.00 C ATOM 0 H THR A 52 6.009 -9.607 4.512 1.00 0.00 H new ATOM 0 HA THR A 52 3.667 -7.747 4.471 1.00 0.00 H new ATOM 0 HB THR A 52 6.387 -7.533 5.810 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.818 -8.420 6.421 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.538 -5.409 6.734 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.591 -5.332 4.957 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.039 -5.584 5.791 1.00 0.00 H new ATOM 691 N LEU A 53 4.556 -6.332 2.698 1.00 0.00 N ATOM 692 CA LEU A 53 4.955 -5.650 1.479 1.00 0.00 C ATOM 693 C LEU A 53 5.892 -4.493 1.830 1.00 0.00 C ATOM 694 O LEU A 53 5.484 -3.535 2.485 1.00 0.00 O ATOM 695 CB LEU A 53 3.724 -5.222 0.677 1.00 0.00 C ATOM 696 CG LEU A 53 3.816 -5.403 -0.840 1.00 0.00 C ATOM 697 CD1 LEU A 53 2.521 -4.959 -1.523 1.00 0.00 C ATOM 698 CD2 LEU A 53 5.039 -4.680 -1.405 1.00 0.00 C ATOM 0 H LEU A 53 3.691 -5.988 3.116 1.00 0.00 H new ATOM 0 HA LEU A 53 5.511 -6.326 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.865 -5.787 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.526 -4.171 0.886 1.00 0.00 H new ATOM 0 HG LEU A 53 3.944 -6.465 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.612 -5.098 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.689 -5.556 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.338 -3.906 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.081 -4.825 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.966 -3.615 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.943 -5.084 -0.950 1.00 0.00 H new ATOM 709 N ASP A 54 7.131 -4.618 1.378 1.00 0.00 N ATOM 710 CA ASP A 54 8.129 -3.595 1.638 1.00 0.00 C ATOM 711 C ASP A 54 8.155 -2.606 0.470 1.00 0.00 C ATOM 712 O ASP A 54 8.130 -3.011 -0.692 1.00 0.00 O ATOM 713 CB ASP A 54 9.525 -4.207 1.768 1.00 0.00 C ATOM 714 CG ASP A 54 9.564 -5.601 2.397 1.00 0.00 C ATOM 715 OD1 ASP A 54 8.876 -5.779 3.424 1.00 0.00 O ATOM 716 OD2 ASP A 54 10.280 -6.458 1.835 1.00 0.00 O ATOM 0 H ASP A 54 7.466 -5.412 0.833 1.00 0.00 H new ATOM 0 HA ASP A 54 7.865 -3.096 2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.976 -4.259 0.777 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.144 -3.538 2.365 1.00 0.00 H new ATOM 720 N ALA A 55 8.202 -1.329 0.818 1.00 0.00 N ATOM 721 CA ALA A 55 8.231 -0.280 -0.186 1.00 0.00 C ATOM 722 C ALA A 55 9.410 -0.516 -1.131 1.00 0.00 C ATOM 723 O ALA A 55 10.482 -0.936 -0.698 1.00 0.00 O ATOM 724 CB ALA A 55 8.299 1.085 0.502 1.00 0.00 C ATOM 0 H ALA A 55 8.221 -0.997 1.782 1.00 0.00 H new ATOM 0 HA ALA A 55 7.320 -0.298 -0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.321 1.872 -0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.423 1.216 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.201 1.141 1.111 1.00 0.00 H new ATOM 730 N SER A 56 9.173 -0.235 -2.404 1.00 0.00 N ATOM 731 CA SER A 56 10.203 -0.412 -3.414 1.00 0.00 C ATOM 732 C SER A 56 10.941 0.909 -3.644 1.00 0.00 C ATOM 733 O SER A 56 12.155 0.919 -3.841 1.00 0.00 O ATOM 734 CB SER A 56 9.606 -0.923 -4.726 1.00 0.00 C ATOM 735 OG SER A 56 10.347 -2.016 -5.260 1.00 0.00 O ATOM 0 H SER A 56 8.283 0.114 -2.759 1.00 0.00 H new ATOM 0 HA SER A 56 10.911 -1.159 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.574 -1.232 -4.559 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.582 -0.112 -5.453 1.00 0.00 H new ATOM 0 HG SER A 56 9.933 -2.314 -6.097 1.00 0.00 H new ATOM 740 N ASP A 57 10.177 1.991 -3.615 1.00 0.00 N ATOM 741 CA ASP A 57 10.743 3.313 -3.818 1.00 0.00 C ATOM 742 C ASP A 57 10.121 4.288 -2.817 1.00 0.00 C ATOM 743 O ASP A 57 9.049 4.027 -2.275 1.00 0.00 O ATOM 744 CB ASP A 57 10.446 3.828 -5.229 1.00 0.00 C ATOM 745 CG ASP A 57 11.009 2.969 -6.362 1.00 0.00 C ATOM 746 OD1 ASP A 57 11.783 2.042 -6.041 1.00 0.00 O ATOM 747 OD2 ASP A 57 10.652 3.259 -7.525 1.00 0.00 O ATOM 0 H ASP A 57 9.170 1.979 -3.454 1.00 0.00 H new ATOM 0 HA ASP A 57 11.822 3.244 -3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.366 3.903 -5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.848 4.837 -5.324 1.00 0.00 H new ATOM 751 N ASP A 58 10.821 5.394 -2.605 1.00 0.00 N ATOM 752 CA ASP A 58 10.351 6.410 -1.680 1.00 0.00 C ATOM 753 C ASP A 58 9.341 7.314 -2.390 1.00 0.00 C ATOM 754 O ASP A 58 9.601 7.796 -3.491 1.00 0.00 O ATOM 755 CB ASP A 58 11.506 7.287 -1.190 1.00 0.00 C ATOM 756 CG ASP A 58 12.536 7.653 -2.260 1.00 0.00 C ATOM 757 OD1 ASP A 58 12.097 8.056 -3.358 1.00 0.00 O ATOM 758 OD2 ASP A 58 13.742 7.522 -1.955 1.00 0.00 O ATOM 0 H ASP A 58 11.709 5.608 -3.058 1.00 0.00 H new ATOM 0 HA ASP A 58 9.895 5.904 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.094 8.206 -0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.016 6.770 -0.377 1.00 0.00 H new ATOM 762 N GLY A 59 8.209 7.515 -1.731 1.00 0.00 N ATOM 763 CA GLY A 59 7.158 8.352 -2.286 1.00 0.00 C ATOM 764 C GLY A 59 6.021 8.542 -1.281 1.00 0.00 C ATOM 765 O GLY A 59 6.109 8.082 -0.144 1.00 0.00 O ATOM 0 H GLY A 59 7.997 7.113 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.569 9.323 -2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.770 7.898 -3.198 1.00 0.00 H new ATOM 769 N ILE A 60 4.979 9.223 -1.737 1.00 0.00 N ATOM 770 CA ILE A 60 3.826 9.481 -0.891 1.00 0.00 C ATOM 771 C ILE A 60 2.646 8.634 -1.374 1.00 0.00 C ATOM 772 O ILE A 60 2.294 8.668 -2.553 1.00 0.00 O ATOM 773 CB ILE A 60 3.526 10.979 -0.837 1.00 0.00 C ATOM 774 CG1 ILE A 60 4.531 11.708 0.058 1.00 0.00 C ATOM 775 CG2 ILE A 60 2.082 11.234 -0.402 1.00 0.00 C ATOM 776 CD1 ILE A 60 4.052 11.735 1.511 1.00 0.00 C ATOM 0 H ILE A 60 4.909 9.604 -2.681 1.00 0.00 H new ATOM 0 HA ILE A 60 4.033 9.184 0.137 1.00 0.00 H new ATOM 0 HB ILE A 60 3.636 11.385 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.501 11.213 0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.671 12.727 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.895 12.307 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.400 10.767 -1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.920 10.810 0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.784 12.259 2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.094 12.251 1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.936 10.714 1.875 1.00 0.00 H new ATOM 787 N LEU A 61 2.067 7.896 -0.439 1.00 0.00 N ATOM 788 CA LEU A 61 0.934 7.042 -0.754 1.00 0.00 C ATOM 789 C LEU A 61 -0.190 7.893 -1.350 1.00 0.00 C ATOM 790 O LEU A 61 -1.054 8.380 -0.624 1.00 0.00 O ATOM 791 CB LEU A 61 0.511 6.238 0.476 1.00 0.00 C ATOM 792 CG LEU A 61 0.312 4.735 0.261 1.00 0.00 C ATOM 793 CD1 LEU A 61 -0.227 4.067 1.526 1.00 0.00 C ATOM 794 CD2 LEU A 61 -0.580 4.469 -0.954 1.00 0.00 C ATOM 0 H LEU A 61 2.361 7.871 0.537 1.00 0.00 H new ATOM 0 HA LEU A 61 1.210 6.305 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.263 6.377 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.421 6.657 0.856 1.00 0.00 H new ATOM 0 HG LEU A 61 1.284 4.288 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.359 3.000 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.479 4.212 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.186 4.512 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.706 3.394 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.554 4.932 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.116 4.891 -1.845 1.00 0.00 H new ATOM 805 N ALA A 62 -0.140 8.044 -2.666 1.00 0.00 N ATOM 806 CA ALA A 62 -1.143 8.827 -3.367 1.00 0.00 C ATOM 807 C ALA A 62 -2.536 8.322 -2.986 1.00 0.00 C ATOM 808 O ALA A 62 -3.358 9.082 -2.475 1.00 0.00 O ATOM 809 CB ALA A 62 -0.888 8.752 -4.873 1.00 0.00 C ATOM 0 H ALA A 62 0.579 7.637 -3.264 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.082 9.876 -3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.640 9.339 -5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.103 9.149 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.944 7.714 -5.200 1.00 0.00 H new ATOM 815 N LYS A 63 -2.759 7.043 -3.248 1.00 0.00 N ATOM 816 CA LYS A 63 -4.039 6.427 -2.939 1.00 0.00 C ATOM 817 C LYS A 63 -3.831 4.935 -2.675 1.00 0.00 C ATOM 818 O LYS A 63 -2.720 4.425 -2.808 1.00 0.00 O ATOM 819 CB LYS A 63 -5.055 6.720 -4.045 1.00 0.00 C ATOM 820 CG LYS A 63 -5.221 5.513 -4.970 1.00 0.00 C ATOM 821 CD LYS A 63 -6.022 5.887 -6.219 1.00 0.00 C ATOM 822 CE LYS A 63 -5.420 5.242 -7.470 1.00 0.00 C ATOM 823 NZ LYS A 63 -6.467 4.542 -8.247 1.00 0.00 N ATOM 0 H LYS A 63 -2.075 6.416 -3.671 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.459 6.857 -2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.017 6.978 -3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.729 7.584 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.241 5.136 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.727 4.708 -4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.057 5.565 -6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.036 6.971 -6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.949 6.005 -8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.639 4.537 -7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.024 3.834 -8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.125 4.069 -7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.988 5.231 -8.826 1.00 0.00 H new ATOM 833 N ILE A 64 -4.920 4.276 -2.303 1.00 0.00 N ATOM 834 CA ILE A 64 -4.871 2.851 -2.019 1.00 0.00 C ATOM 835 C ILE A 64 -5.975 2.140 -2.803 1.00 0.00 C ATOM 836 O ILE A 64 -7.048 1.873 -2.267 1.00 0.00 O ATOM 837 CB ILE A 64 -4.931 2.605 -0.510 1.00 0.00 C ATOM 838 CG1 ILE A 64 -3.638 3.054 0.172 1.00 0.00 C ATOM 839 CG2 ILE A 64 -5.261 1.141 -0.207 1.00 0.00 C ATOM 840 CD1 ILE A 64 -3.767 2.984 1.695 1.00 0.00 C ATOM 0 H ILE A 64 -5.840 4.702 -2.192 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.923 2.428 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.738 3.210 -0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.812 2.423 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.399 4.074 -0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.298 0.992 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.228 0.889 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.492 0.498 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.833 3.309 2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.578 3.635 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.982 1.958 1.995 1.00 0.00 H new ATOM 851 N VAL A 65 -5.673 1.856 -4.061 1.00 0.00 N ATOM 852 CA VAL A 65 -6.627 1.181 -4.925 1.00 0.00 C ATOM 853 C VAL A 65 -7.361 0.104 -4.124 1.00 0.00 C ATOM 854 O VAL A 65 -8.583 0.149 -3.991 1.00 0.00 O ATOM 855 CB VAL A 65 -5.913 0.626 -6.160 1.00 0.00 C ATOM 856 CG1 VAL A 65 -6.899 -0.082 -7.090 1.00 0.00 C ATOM 857 CG2 VAL A 65 -5.158 1.730 -6.900 1.00 0.00 C ATOM 0 H VAL A 65 -4.782 2.081 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.377 1.883 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.183 -0.110 -5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.367 -0.467 -7.960 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.371 -0.908 -6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.663 0.624 -7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.660 1.308 -7.773 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.860 2.500 -7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.414 2.170 -6.236 1.00 0.00 H new ATOM 867 N VAL A 66 -6.585 -0.839 -3.610 1.00 0.00 N ATOM 868 CA VAL A 66 -7.146 -1.926 -2.826 1.00 0.00 C ATOM 869 C VAL A 66 -6.785 -1.725 -1.353 1.00 0.00 C ATOM 870 O VAL A 66 -5.613 -1.783 -0.984 1.00 0.00 O ATOM 871 CB VAL A 66 -6.671 -3.271 -3.380 1.00 0.00 C ATOM 872 CG1 VAL A 66 -7.468 -4.426 -2.771 1.00 0.00 C ATOM 873 CG2 VAL A 66 -6.754 -3.294 -4.908 1.00 0.00 C ATOM 0 H VAL A 66 -5.572 -0.873 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.234 -1.927 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.626 -3.400 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.111 -5.371 -3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.337 -4.428 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.525 -4.304 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.411 -4.261 -5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.786 -3.133 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.124 -2.505 -5.319 1.00 0.00 H new ATOM 883 N GLU A 67 -7.813 -1.493 -0.551 1.00 0.00 N ATOM 884 CA GLU A 67 -7.619 -1.283 0.874 1.00 0.00 C ATOM 885 C GLU A 67 -7.421 -2.623 1.585 1.00 0.00 C ATOM 886 O GLU A 67 -7.339 -3.667 0.939 1.00 0.00 O ATOM 887 CB GLU A 67 -8.792 -0.509 1.478 1.00 0.00 C ATOM 888 CG GLU A 67 -8.616 0.998 1.279 1.00 0.00 C ATOM 889 CD GLU A 67 -7.640 1.576 2.305 1.00 0.00 C ATOM 890 OE1 GLU A 67 -8.001 1.563 3.502 1.00 0.00 O ATOM 891 OE2 GLU A 67 -6.555 2.019 1.870 1.00 0.00 O ATOM 0 H GLU A 67 -8.784 -1.446 -0.861 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.720 -0.683 1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.724 -0.834 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.870 -0.732 2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.249 1.195 0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.582 1.496 1.370 1.00 0.00 H new ATOM 896 N GLU A 68 -7.351 -2.551 2.907 1.00 0.00 N ATOM 897 CA GLU A 68 -7.164 -3.745 3.712 1.00 0.00 C ATOM 898 C GLU A 68 -8.488 -4.496 3.862 1.00 0.00 C ATOM 899 O GLU A 68 -9.557 -3.891 3.825 1.00 0.00 O ATOM 900 CB GLU A 68 -6.574 -3.396 5.081 1.00 0.00 C ATOM 901 CG GLU A 68 -7.356 -2.260 5.742 1.00 0.00 C ATOM 902 CD GLU A 68 -7.169 -2.277 7.261 1.00 0.00 C ATOM 903 OE1 GLU A 68 -7.000 -3.392 7.799 1.00 0.00 O ATOM 904 OE2 GLU A 68 -7.199 -1.174 7.848 1.00 0.00 O ATOM 0 H GLU A 68 -7.421 -1.684 3.440 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.454 -4.396 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.592 -4.276 5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.530 -3.105 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.022 -1.303 5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.415 -2.354 5.501 1.00 0.00 H new ATOM 909 N GLY A 69 -8.372 -5.805 4.029 1.00 0.00 N ATOM 910 CA GLY A 69 -9.547 -6.647 4.185 1.00 0.00 C ATOM 911 C GLY A 69 -9.892 -7.354 2.872 1.00 0.00 C ATOM 912 O GLY A 69 -10.604 -8.358 2.873 1.00 0.00 O ATOM 0 H GLY A 69 -7.483 -6.304 4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.368 -7.387 4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.393 -6.041 4.509 1.00 0.00 H new ATOM 916 N SER A 70 -9.373 -6.803 1.785 1.00 0.00 N ATOM 917 CA SER A 70 -9.617 -7.369 0.469 1.00 0.00 C ATOM 918 C SER A 70 -8.602 -8.477 0.180 1.00 0.00 C ATOM 919 O SER A 70 -7.534 -8.520 0.788 1.00 0.00 O ATOM 920 CB SER A 70 -9.551 -6.291 -0.614 1.00 0.00 C ATOM 921 OG SER A 70 -10.847 -5.869 -1.028 1.00 0.00 O ATOM 0 H SER A 70 -8.784 -5.970 1.788 1.00 0.00 H new ATOM 0 HA SER A 70 -10.621 -7.794 0.459 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.994 -5.433 -0.238 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.003 -6.675 -1.474 1.00 0.00 H new ATOM 0 HG SER A 70 -10.761 -5.179 -1.719 1.00 0.00 H new ATOM 926 N LYS A 71 -8.971 -9.345 -0.752 1.00 0.00 N ATOM 927 CA LYS A 71 -8.106 -10.450 -1.129 1.00 0.00 C ATOM 928 C LYS A 71 -8.145 -10.624 -2.649 1.00 0.00 C ATOM 929 O LYS A 71 -8.462 -9.685 -3.378 1.00 0.00 O ATOM 930 CB LYS A 71 -8.482 -11.714 -0.355 1.00 0.00 C ATOM 931 CG LYS A 71 -9.918 -12.142 -0.668 1.00 0.00 C ATOM 932 CD LYS A 71 -10.793 -12.084 0.587 1.00 0.00 C ATOM 933 CE LYS A 71 -12.271 -11.938 0.218 1.00 0.00 C ATOM 934 NZ LYS A 71 -12.860 -13.259 -0.096 1.00 0.00 N ATOM 0 H LYS A 71 -9.857 -9.305 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.072 -10.235 -0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.794 -12.520 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.377 -11.534 0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.336 -11.492 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.920 -13.155 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.649 -12.989 1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.485 -11.245 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.814 -11.478 1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.374 -11.274 -0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.863 -13.142 -0.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.352 -13.684 -0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.779 -13.881 0.733 1.00 0.00 H new ATOM 944 N ASN A 72 -7.817 -11.833 -3.081 1.00 0.00 N ATOM 945 CA ASN A 72 -7.809 -12.143 -4.501 1.00 0.00 C ATOM 946 C ASN A 72 -7.075 -11.034 -5.258 1.00 0.00 C ATOM 947 O ASN A 72 -7.634 -10.421 -6.166 1.00 0.00 O ATOM 948 CB ASN A 72 -9.234 -12.228 -5.054 1.00 0.00 C ATOM 949 CG ASN A 72 -9.813 -13.631 -4.863 1.00 0.00 C ATOM 950 OD1 ASN A 72 -9.585 -14.537 -5.647 1.00 0.00 O ATOM 951 ND2 ASN A 72 -10.573 -13.760 -3.778 1.00 0.00 N ATOM 0 H ASN A 72 -7.555 -12.609 -2.473 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.312 -13.104 -4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.867 -11.498 -4.551 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.233 -11.972 -6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.005 -14.658 -3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.723 -12.960 -3.163 1.00 0.00 H new ATOM 957 N ILE A 73 -5.833 -10.810 -4.855 1.00 0.00 N ATOM 958 CA ILE A 73 -5.016 -9.785 -5.483 1.00 0.00 C ATOM 959 C ILE A 73 -4.093 -10.437 -6.516 1.00 0.00 C ATOM 960 O ILE A 73 -2.937 -10.735 -6.219 1.00 0.00 O ATOM 961 CB ILE A 73 -4.274 -8.968 -4.424 1.00 0.00 C ATOM 962 CG1 ILE A 73 -5.178 -8.673 -3.225 1.00 0.00 C ATOM 963 CG2 ILE A 73 -3.688 -7.690 -5.029 1.00 0.00 C ATOM 964 CD1 ILE A 73 -6.187 -7.572 -3.558 1.00 0.00 C ATOM 0 H ILE A 73 -5.372 -11.320 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.643 -9.073 -6.019 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.438 -9.563 -4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.707 -9.580 -2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.570 -8.369 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.166 -7.127 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.988 -7.951 -5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.492 -7.080 -5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.817 -7.381 -2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.655 -6.660 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.809 -7.889 -4.395 1.00 0.00 H new ATOM 975 N ARG A 74 -4.639 -10.638 -7.705 1.00 0.00 N ATOM 976 CA ARG A 74 -3.880 -11.249 -8.783 1.00 0.00 C ATOM 977 C ARG A 74 -2.447 -10.714 -8.792 1.00 0.00 C ATOM 978 O ARG A 74 -2.170 -9.661 -8.220 1.00 0.00 O ATOM 979 CB ARG A 74 -4.529 -10.973 -10.140 1.00 0.00 C ATOM 980 CG ARG A 74 -5.843 -11.741 -10.286 1.00 0.00 C ATOM 981 CD ARG A 74 -5.764 -12.751 -11.433 1.00 0.00 C ATOM 982 NE ARG A 74 -6.784 -13.807 -11.249 1.00 0.00 N ATOM 983 CZ ARG A 74 -7.191 -14.636 -12.220 1.00 0.00 C ATOM 984 NH1 ARG A 74 -6.667 -14.536 -13.449 1.00 0.00 N ATOM 985 NH2 ARG A 74 -8.121 -15.565 -11.962 1.00 0.00 N ATOM 0 H ARG A 74 -5.598 -10.389 -7.946 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.869 -12.325 -8.612 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.715 -9.904 -10.248 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.845 -11.260 -10.939 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.070 -12.260 -9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.659 -11.041 -10.468 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.921 -12.245 -12.386 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.770 -13.196 -11.468 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.204 -13.910 -10.325 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.958 -13.829 -13.645 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.977 -15.167 -14.188 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.520 -15.642 -11.026 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.431 -16.196 -12.701 1.00 0.00 H new ATOM 996 N LEU A 75 -1.572 -11.464 -9.448 1.00 0.00 N ATOM 997 CA LEU A 75 -0.175 -11.077 -9.539 1.00 0.00 C ATOM 998 C LEU A 75 -0.058 -9.793 -10.363 1.00 0.00 C ATOM 999 O LEU A 75 -0.860 -9.555 -11.264 1.00 0.00 O ATOM 1000 CB LEU A 75 0.667 -12.234 -10.082 1.00 0.00 C ATOM 1001 CG LEU A 75 1.560 -12.947 -9.063 1.00 0.00 C ATOM 1002 CD1 LEU A 75 2.416 -14.019 -9.743 1.00 0.00 C ATOM 1003 CD2 LEU A 75 2.411 -11.944 -8.282 1.00 0.00 C ATOM 0 H LEU A 75 -1.804 -12.337 -9.921 1.00 0.00 H new ATOM 0 HA LEU A 75 0.225 -10.859 -8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.004 -12.970 -10.525 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.298 -11.853 -10.885 1.00 0.00 H new ATOM 0 HG LEU A 75 0.919 -13.454 -8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.042 -14.511 -8.999 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.768 -14.756 -10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.049 -13.554 -10.499 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.036 -12.477 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.045 -11.389 -8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.760 -11.251 -7.750 1.00 0.00 H new ATOM 1014 N GLY A 76 0.948 -9.001 -10.024 1.00 0.00 N ATOM 1015 CA GLY A 76 1.181 -7.747 -10.721 1.00 0.00 C ATOM 1016 C GLY A 76 -0.111 -6.936 -10.837 1.00 0.00 C ATOM 1017 O GLY A 76 -0.507 -6.546 -11.934 1.00 0.00 O ATOM 0 H GLY A 76 1.611 -9.203 -9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.933 -7.165 -10.188 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.579 -7.948 -11.716 1.00 0.00 H new ATOM 1021 N SER A 77 -0.732 -6.705 -9.690 1.00 0.00 N ATOM 1022 CA SER A 77 -1.971 -5.948 -9.648 1.00 0.00 C ATOM 1023 C SER A 77 -1.750 -4.621 -8.921 1.00 0.00 C ATOM 1024 O SER A 77 -0.935 -4.541 -8.003 1.00 0.00 O ATOM 1025 CB SER A 77 -3.084 -6.748 -8.966 1.00 0.00 C ATOM 1026 OG SER A 77 -4.102 -5.902 -8.437 1.00 0.00 O ATOM 0 H SER A 77 -0.400 -7.029 -8.782 1.00 0.00 H new ATOM 0 HA SER A 77 -2.282 -5.746 -10.673 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.525 -7.441 -9.683 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.658 -7.349 -8.163 1.00 0.00 H new ATOM 0 HG SER A 77 -4.794 -6.450 -8.012 1.00 0.00 H new ATOM 1031 N LEU A 78 -2.489 -3.611 -9.359 1.00 0.00 N ATOM 1032 CA LEU A 78 -2.383 -2.292 -8.760 1.00 0.00 C ATOM 1033 C LEU A 78 -3.145 -2.275 -7.434 1.00 0.00 C ATOM 1034 O LEU A 78 -4.356 -2.486 -7.407 1.00 0.00 O ATOM 1035 CB LEU A 78 -2.843 -1.218 -9.748 1.00 0.00 C ATOM 1036 CG LEU A 78 -1.786 -0.193 -10.166 1.00 0.00 C ATOM 1037 CD1 LEU A 78 -2.414 0.941 -10.980 1.00 0.00 C ATOM 1038 CD2 LEU A 78 -1.020 0.331 -8.949 1.00 0.00 C ATOM 0 H LEU A 78 -3.163 -3.680 -10.121 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.343 -2.059 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.215 -1.713 -10.645 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.684 -0.683 -9.307 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.063 -0.691 -10.812 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.642 1.656 -11.264 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.878 0.531 -11.877 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.171 1.445 -10.379 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.275 1.058 -9.273 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.716 0.808 -8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.523 -0.499 -8.447 1.00 0.00 H new ATOM 1049 N ILE A 79 -2.403 -2.021 -6.365 1.00 0.00 N ATOM 1050 CA ILE A 79 -2.993 -1.974 -5.039 1.00 0.00 C ATOM 1051 C ILE A 79 -3.009 -0.528 -4.543 1.00 0.00 C ATOM 1052 O ILE A 79 -3.910 -0.129 -3.806 1.00 0.00 O ATOM 1053 CB ILE A 79 -2.271 -2.940 -4.096 1.00 0.00 C ATOM 1054 CG1 ILE A 79 -0.758 -2.718 -4.139 1.00 0.00 C ATOM 1055 CG2 ILE A 79 -2.648 -4.390 -4.404 1.00 0.00 C ATOM 1056 CD1 ILE A 79 -0.062 -3.456 -2.993 1.00 0.00 C ATOM 0 H ILE A 79 -1.399 -1.846 -6.391 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.029 -2.311 -5.072 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.598 -2.733 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.363 -3.066 -5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.541 -1.652 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.122 -5.056 -3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.723 -4.520 -4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.368 -4.629 -5.430 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.013 -3.281 -3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.442 -3.088 -2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.260 -4.525 -3.075 1.00 0.00 H new ATOM 1067 N GLY A 80 -2.001 0.220 -4.966 1.00 0.00 N ATOM 1068 CA GLY A 80 -1.887 1.615 -4.575 1.00 0.00 C ATOM 1069 C GLY A 80 -0.909 2.362 -5.485 1.00 0.00 C ATOM 1070 O GLY A 80 -0.032 1.751 -6.093 1.00 0.00 O ATOM 0 H GLY A 80 -1.255 -0.114 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.867 2.090 -4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.549 1.680 -3.541 1.00 0.00 H new ATOM 1074 N LEU A 81 -1.092 3.673 -5.548 1.00 0.00 N ATOM 1075 CA LEU A 81 -0.238 4.509 -6.373 1.00 0.00 C ATOM 1076 C LEU A 81 0.614 5.405 -5.471 1.00 0.00 C ATOM 1077 O LEU A 81 0.113 5.973 -4.502 1.00 0.00 O ATOM 1078 CB LEU A 81 -1.072 5.282 -7.396 1.00 0.00 C ATOM 1079 CG LEU A 81 -0.330 5.743 -8.653 1.00 0.00 C ATOM 1080 CD1 LEU A 81 0.918 6.549 -8.288 1.00 0.00 C ATOM 1081 CD2 LEU A 81 -0.003 4.559 -9.564 1.00 0.00 C ATOM 0 H LEU A 81 -1.820 4.176 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 81 0.449 3.895 -6.955 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.909 4.655 -7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.493 6.159 -6.904 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.989 6.406 -9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.427 6.864 -9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.628 7.427 -7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.590 5.930 -7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.524 4.916 -10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.628 3.850 -9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.927 4.066 -9.866 1.00 0.00 H new ATOM 1092 N ILE A 82 1.888 5.504 -5.823 1.00 0.00 N ATOM 1093 CA ILE A 82 2.814 6.321 -5.058 1.00 0.00 C ATOM 1094 C ILE A 82 3.220 7.540 -5.890 1.00 0.00 C ATOM 1095 O ILE A 82 3.324 7.454 -7.112 1.00 0.00 O ATOM 1096 CB ILE A 82 4.000 5.482 -4.578 1.00 0.00 C ATOM 1097 CG1 ILE A 82 3.544 4.396 -3.600 1.00 0.00 C ATOM 1098 CG2 ILE A 82 5.094 6.369 -3.982 1.00 0.00 C ATOM 1099 CD1 ILE A 82 4.741 3.625 -3.040 1.00 0.00 C ATOM 0 H ILE A 82 2.300 5.032 -6.628 1.00 0.00 H new ATOM 0 HA ILE A 82 2.333 6.696 -4.155 1.00 0.00 H new ATOM 0 HB ILE A 82 4.432 4.976 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.984 4.850 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.867 3.707 -4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.925 5.747 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.446 7.070 -4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.692 6.922 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.389 2.860 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.284 3.152 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.403 4.313 -2.514 1.00 0.00 H new ATOM 1110 N VAL A 83 3.436 8.646 -5.194 1.00 0.00 N ATOM 1111 CA VAL A 83 3.828 9.880 -5.854 1.00 0.00 C ATOM 1112 C VAL A 83 5.041 10.475 -5.135 1.00 0.00 C ATOM 1113 O VAL A 83 5.110 10.457 -3.907 1.00 0.00 O ATOM 1114 CB VAL A 83 2.639 10.841 -5.914 1.00 0.00 C ATOM 1115 CG1 VAL A 83 1.507 10.259 -6.763 1.00 0.00 C ATOM 1116 CG2 VAL A 83 2.147 11.193 -4.508 1.00 0.00 C ATOM 0 H VAL A 83 3.347 8.714 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 83 4.124 9.685 -6.885 1.00 0.00 H new ATOM 0 HB VAL A 83 2.975 11.762 -6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.674 10.961 -6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.866 10.083 -7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.173 9.317 -6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.302 11.877 -4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.836 10.284 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.953 11.669 -3.949 1.00 0.00 H new ATOM 1126 N GLU A 84 5.968 10.986 -5.931 1.00 0.00 N ATOM 1127 CA GLU A 84 7.175 11.584 -5.387 1.00 0.00 C ATOM 1128 C GLU A 84 6.819 12.623 -4.321 1.00 0.00 C ATOM 1129 O GLU A 84 5.969 13.483 -4.548 1.00 0.00 O ATOM 1130 CB GLU A 84 8.027 12.206 -6.495 1.00 0.00 C ATOM 1131 CG GLU A 84 9.093 11.223 -6.984 1.00 0.00 C ATOM 1132 CD GLU A 84 10.483 11.862 -6.949 1.00 0.00 C ATOM 1133 OE1 GLU A 84 10.829 12.523 -7.952 1.00 0.00 O ATOM 1134 OE2 GLU A 84 11.170 11.673 -5.923 1.00 0.00 O ATOM 0 H GLU A 84 5.908 10.998 -6.949 1.00 0.00 H new ATOM 0 HA GLU A 84 7.766 10.798 -4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.388 12.500 -7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.506 13.113 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.083 10.330 -6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.861 10.904 -8.000 1.00 0.00 H new ATOM 1139 N GLU A 85 7.486 12.509 -3.183 1.00 0.00 N ATOM 1140 CA GLU A 85 7.250 13.427 -2.081 1.00 0.00 C ATOM 1141 C GLU A 85 7.025 14.844 -2.612 1.00 0.00 C ATOM 1142 O GLU A 85 7.943 15.464 -3.148 1.00 0.00 O ATOM 1143 CB GLU A 85 8.408 13.394 -1.082 1.00 0.00 C ATOM 1144 CG GLU A 85 7.962 12.789 0.252 1.00 0.00 C ATOM 1145 CD GLU A 85 9.169 12.450 1.129 1.00 0.00 C ATOM 1146 OE1 GLU A 85 9.607 13.358 1.869 1.00 0.00 O ATOM 1147 OE2 GLU A 85 9.626 11.290 1.041 1.00 0.00 O ATOM 0 H GLU A 85 8.190 11.795 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 85 6.350 13.109 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.232 12.810 -1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.783 14.405 -0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.313 13.491 0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.376 11.888 0.069 1.00 0.00 H new ATOM 1152 N GLY A 86 5.799 15.318 -2.443 1.00 0.00 N ATOM 1153 CA GLY A 86 5.442 16.650 -2.898 1.00 0.00 C ATOM 1154 C GLY A 86 5.077 16.644 -4.384 1.00 0.00 C ATOM 1155 O GLY A 86 5.770 17.251 -5.199 1.00 0.00 O ATOM 0 H GLY A 86 5.040 14.802 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.600 17.024 -2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.275 17.332 -2.728 1.00 0.00 H new ATOM 1159 N GLU A 87 3.992 15.948 -4.691 1.00 0.00 N ATOM 1160 CA GLU A 87 3.528 15.855 -6.065 1.00 0.00 C ATOM 1161 C GLU A 87 1.999 15.850 -6.109 1.00 0.00 C ATOM 1162 O GLU A 87 1.399 15.117 -6.895 1.00 0.00 O ATOM 1163 CB GLU A 87 4.101 14.614 -6.754 1.00 0.00 C ATOM 1164 CG GLU A 87 5.503 14.888 -7.300 1.00 0.00 C ATOM 1165 CD GLU A 87 5.639 14.383 -8.738 1.00 0.00 C ATOM 1166 OE1 GLU A 87 6.001 13.196 -8.890 1.00 0.00 O ATOM 1167 OE2 GLU A 87 5.379 15.193 -9.652 1.00 0.00 O ATOM 0 H GLU A 87 3.421 15.444 -4.013 1.00 0.00 H new ATOM 0 HA GLU A 87 3.885 16.730 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.138 13.785 -6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.443 14.309 -7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.708 15.958 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.245 14.401 -6.668 1.00 0.00 H new ATOM 1172 N ASP A 88 1.411 16.676 -5.257 1.00 0.00 N ATOM 1173 CA ASP A 88 -0.038 16.776 -5.188 1.00 0.00 C ATOM 1174 C ASP A 88 -0.636 15.372 -5.070 1.00 0.00 C ATOM 1175 O ASP A 88 -1.176 14.841 -6.039 1.00 0.00 O ATOM 1176 CB ASP A 88 -0.604 17.427 -6.452 1.00 0.00 C ATOM 1177 CG ASP A 88 -1.959 18.115 -6.272 1.00 0.00 C ATOM 1178 OD1 ASP A 88 -2.475 18.063 -5.135 1.00 0.00 O ATOM 1179 OD2 ASP A 88 -2.447 18.678 -7.276 1.00 0.00 O ATOM 0 H ASP A 88 1.911 17.283 -4.608 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.295 17.386 -4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.114 18.161 -6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.700 16.664 -7.224 1.00 0.00 H new ATOM 1183 N TRP A 89 -0.520 14.814 -3.874 1.00 0.00 N ATOM 1184 CA TRP A 89 -1.043 13.483 -3.617 1.00 0.00 C ATOM 1185 C TRP A 89 -2.532 13.615 -3.287 1.00 0.00 C ATOM 1186 O TRP A 89 -3.343 12.801 -3.725 1.00 0.00 O ATOM 1187 CB TRP A 89 -0.246 12.783 -2.514 1.00 0.00 C ATOM 1188 CG TRP A 89 -0.584 13.265 -1.102 1.00 0.00 C ATOM 1189 CD1 TRP A 89 0.149 14.052 -0.301 1.00 0.00 C ATOM 1190 CD2 TRP A 89 -1.777 12.959 -0.351 1.00 0.00 C ATOM 1191 NE1 TRP A 89 -0.483 14.273 0.906 1.00 0.00 N ATOM 1192 CE2 TRP A 89 -1.691 13.588 0.874 1.00 0.00 C ATOM 1193 CE3 TRP A 89 -2.894 12.177 -0.697 1.00 0.00 C ATOM 1194 CZ2 TRP A 89 -2.688 13.498 1.853 1.00 0.00 C ATOM 1195 CZ3 TRP A 89 -3.881 12.097 0.293 1.00 0.00 C ATOM 1196 CH2 TRP A 89 -3.809 12.724 1.532 1.00 0.00 C ATOM 0 H TRP A 89 -0.072 15.259 -3.073 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.936 12.851 -4.498 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.427 11.710 -2.574 1.00 0.00 H new ATOM 0 HB3 TRP A 89 0.818 12.937 -2.695 1.00 0.00 H new ATOM 0 HD1 TRP A 89 1.112 14.461 -0.567 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.128 14.836 1.679 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -2.983 11.678 -1.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -2.597 13.999 2.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -4.760 11.507 0.079 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -4.614 12.614 2.243 1.00 0.00 H new