USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 587 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 32 THR OG1 : rot 180:sc= -2.98! USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= -0.482 USER MOD Set 2.1: A 17 HIS : no HD1:sc= -1.38! C(o=-3.1!,f=-7.2!) USER MOD Set 2.2: A 42 GLN : amide:sc= -1.7! K(o=-3.1!,f=-1.5) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.22) USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= 0.864 (180deg=0.417) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 95:sc= 1.14 USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.912 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -47:sc= 0.497 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -140:sc= -0.609 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.115 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= -0.0378 (180deg=-0.277) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 32 N TYR A 3 9.496 -16.235 4.745 1.00 0.00 N ATOM 33 CA TYR A 3 8.825 -15.212 3.945 1.00 0.00 C ATOM 34 C TYR A 3 7.729 -15.815 3.072 1.00 0.00 C ATOM 35 O TYR A 3 7.755 -17.005 2.751 1.00 0.00 O ATOM 36 CB TYR A 3 9.839 -14.468 3.072 1.00 0.00 C ATOM 37 CG TYR A 3 10.959 -13.826 3.859 1.00 0.00 C ATOM 38 CD1 TYR A 3 10.688 -13.071 4.992 1.00 0.00 C ATOM 39 CD2 TYR A 3 12.284 -13.970 3.469 1.00 0.00 C ATOM 40 CE1 TYR A 3 11.705 -12.478 5.713 1.00 0.00 C ATOM 41 CE2 TYR A 3 13.309 -13.380 4.187 1.00 0.00 C ATOM 42 CZ TYR A 3 13.012 -12.635 5.309 1.00 0.00 C ATOM 43 OH TYR A 3 14.023 -12.045 6.028 1.00 0.00 O ATOM 0 HA TYR A 3 8.359 -14.507 4.634 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.266 -15.165 2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 3 9.319 -13.698 2.502 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.665 -12.946 5.315 1.00 0.00 H new ATOM 0 HD2 TYR A 3 12.518 -14.552 2.590 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.476 -11.893 6.591 1.00 0.00 H new ATOM 0 HE2 TYR A 3 14.335 -13.502 3.871 1.00 0.00 H new ATOM 0 HH TYR A 3 14.885 -12.253 5.612 1.00 0.00 H new ATOM 53 N LYS A 4 6.759 -14.990 2.702 1.00 0.00 N ATOM 54 CA LYS A 4 5.648 -15.429 1.872 1.00 0.00 C ATOM 55 C LYS A 4 6.039 -15.356 0.395 1.00 0.00 C ATOM 56 O LYS A 4 6.630 -14.372 -0.044 1.00 0.00 O ATOM 57 CB LYS A 4 4.427 -14.544 2.147 1.00 0.00 C ATOM 58 CG LYS A 4 3.106 -15.297 2.224 1.00 0.00 C ATOM 59 CD LYS A 4 2.711 -15.920 0.894 1.00 0.00 C ATOM 60 CE LYS A 4 1.407 -16.689 1.014 1.00 0.00 C ATOM 61 NZ LYS A 4 1.004 -17.318 -0.271 1.00 0.00 N ATOM 0 H LYS A 4 6.720 -14.006 2.967 1.00 0.00 H new ATOM 0 HA LYS A 4 5.399 -16.463 2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.583 -14.013 3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.356 -13.791 1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.181 -16.079 2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.321 -14.614 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.608 -15.140 0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.501 -16.589 0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.511 -17.461 1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.619 -16.014 1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.069 -17.760 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.960 -16.592 -1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.701 -18.043 -0.536 1.00 0.00 H new ATOM 75 N ALA A 5 5.721 -16.397 -0.362 1.00 0.00 N ATOM 76 CA ALA A 5 6.063 -16.443 -1.780 1.00 0.00 C ATOM 77 C ALA A 5 4.888 -15.993 -2.646 1.00 0.00 C ATOM 78 O ALA A 5 3.728 -16.171 -2.267 1.00 0.00 O ATOM 79 CB ALA A 5 6.498 -17.849 -2.167 1.00 0.00 C ATOM 0 H ALA A 5 5.227 -17.221 -0.020 1.00 0.00 H new ATOM 0 HA ALA A 5 6.890 -15.754 -1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.751 -17.873 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.370 -18.135 -1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.685 -18.548 -1.972 1.00 0.00 H new ATOM 85 N PRO A 6 5.175 -15.400 -3.821 1.00 0.00 N ATOM 86 CA PRO A 6 4.148 -14.957 -4.763 1.00 0.00 C ATOM 87 C PRO A 6 3.585 -16.121 -5.571 1.00 0.00 C ATOM 88 O PRO A 6 4.311 -16.790 -6.314 1.00 0.00 O ATOM 89 CB PRO A 6 4.886 -13.980 -5.695 1.00 0.00 C ATOM 90 CG PRO A 6 6.289 -13.886 -5.179 1.00 0.00 C ATOM 91 CD PRO A 6 6.519 -15.096 -4.320 1.00 0.00 C ATOM 0 HA PRO A 6 3.299 -14.506 -4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.873 -14.340 -6.724 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.405 -13.002 -5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.002 -13.856 -6.003 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.428 -12.971 -4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 6 6.935 -15.925 -4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.215 -14.889 -3.507 1.00 0.00 H new ATOM 99 N GLU A 7 2.290 -16.357 -5.421 1.00 0.00 N ATOM 100 CA GLU A 7 1.632 -17.491 -6.058 1.00 0.00 C ATOM 101 C GLU A 7 0.905 -17.051 -7.324 1.00 0.00 C ATOM 102 O GLU A 7 1.367 -17.303 -8.436 1.00 0.00 O ATOM 103 CB GLU A 7 0.627 -18.160 -5.102 1.00 0.00 C ATOM 104 CG GLU A 7 0.714 -17.699 -3.649 1.00 0.00 C ATOM 105 CD GLU A 7 0.189 -16.290 -3.441 1.00 0.00 C ATOM 106 OE1 GLU A 7 -0.268 -15.665 -4.425 1.00 0.00 O ATOM 107 OE2 GLU A 7 0.249 -15.790 -2.296 1.00 0.00 O ATOM 0 H GLU A 7 1.669 -15.774 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 7 2.406 -18.213 -6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.382 -17.970 -5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.780 -19.239 -5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.149 -18.388 -3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.752 -17.746 -3.320 1.00 0.00 H new ATOM 114 N GLY A 8 -0.224 -16.377 -7.148 1.00 0.00 N ATOM 115 CA GLY A 8 -1.036 -15.972 -8.280 1.00 0.00 C ATOM 116 C GLY A 8 -1.366 -14.497 -8.254 1.00 0.00 C ATOM 117 O GLY A 8 -2.411 -14.071 -8.747 1.00 0.00 O ATOM 0 H GLY A 8 -0.593 -16.102 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.509 -16.207 -9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.961 -16.548 -8.285 1.00 0.00 H new ATOM 121 N LYS A 9 -0.473 -13.717 -7.671 1.00 0.00 N ATOM 122 CA LYS A 9 -0.663 -12.280 -7.568 1.00 0.00 C ATOM 123 C LYS A 9 0.422 -11.551 -8.347 1.00 0.00 C ATOM 124 O LYS A 9 1.494 -12.109 -8.598 1.00 0.00 O ATOM 125 CB LYS A 9 -0.662 -11.849 -6.095 1.00 0.00 C ATOM 126 CG LYS A 9 0.471 -12.453 -5.271 1.00 0.00 C ATOM 127 CD LYS A 9 0.474 -11.934 -3.837 1.00 0.00 C ATOM 128 CE LYS A 9 -0.856 -12.174 -3.133 1.00 0.00 C ATOM 129 NZ LYS A 9 -1.201 -13.618 -3.057 1.00 0.00 N ATOM 0 H LYS A 9 0.396 -14.057 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.629 -12.018 -7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.594 -10.762 -6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.614 -12.129 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.375 -13.539 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.426 -12.221 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.272 -12.422 -3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.694 -10.866 -3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.811 -11.760 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.646 -11.641 -3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.187 -13.723 -2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.088 -14.052 -3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.569 -14.091 -2.379 1.00 0.00 H new ATOM 143 N GLY A 10 0.140 -10.317 -8.750 1.00 0.00 N ATOM 144 CA GLY A 10 1.103 -9.550 -9.492 1.00 0.00 C ATOM 145 C GLY A 10 1.553 -8.342 -8.711 1.00 0.00 C ATOM 146 O GLY A 10 2.346 -8.460 -7.793 1.00 0.00 O ATOM 0 H GLY A 10 -0.743 -9.839 -8.572 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.964 -10.174 -9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.668 -9.233 -10.440 1.00 0.00 H new ATOM 150 N TYR A 11 1.107 -7.174 -9.140 1.00 0.00 N ATOM 151 CA TYR A 11 1.361 -5.926 -8.425 1.00 0.00 C ATOM 152 C TYR A 11 0.227 -5.498 -7.489 1.00 0.00 C ATOM 153 O TYR A 11 0.414 -4.601 -6.663 1.00 0.00 O ATOM 154 CB TYR A 11 1.652 -4.819 -9.430 1.00 0.00 C ATOM 155 CG TYR A 11 0.449 -4.061 -9.905 1.00 0.00 C ATOM 156 CD1 TYR A 11 -0.640 -4.706 -10.464 1.00 0.00 C ATOM 157 CD2 TYR A 11 0.413 -2.689 -9.773 1.00 0.00 C ATOM 158 CE1 TYR A 11 -1.739 -3.998 -10.887 1.00 0.00 C ATOM 159 CE2 TYR A 11 -0.671 -1.965 -10.189 1.00 0.00 C ATOM 160 CZ TYR A 11 -1.757 -2.619 -10.748 1.00 0.00 C ATOM 161 OH TYR A 11 -2.850 -1.898 -11.173 1.00 0.00 O ATOM 0 H TYR A 11 0.559 -7.059 -9.992 1.00 0.00 H new ATOM 0 HA TYR A 11 2.223 -6.107 -7.783 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.352 -4.115 -8.980 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.152 -5.256 -10.294 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.626 -5.781 -10.569 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.256 -2.176 -9.333 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.582 -4.512 -11.324 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.680 -0.890 -10.082 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.700 -0.945 -11.001 1.00 0.00 H new ATOM 171 N ALA A 12 -0.934 -6.132 -7.603 1.00 0.00 N ATOM 172 CA ALA A 12 -2.135 -5.650 -6.914 1.00 0.00 C ATOM 173 C ALA A 12 -2.111 -6.028 -5.439 1.00 0.00 C ATOM 174 O ALA A 12 -3.069 -5.794 -4.698 1.00 0.00 O ATOM 175 CB ALA A 12 -3.385 -6.203 -7.585 1.00 0.00 C ATOM 0 H ALA A 12 -1.074 -6.975 -8.160 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.151 -4.562 -6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.270 -5.838 -7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.415 -5.876 -8.624 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.366 -7.292 -7.548 1.00 0.00 H new ATOM 181 N ASP A 13 -1.003 -6.600 -5.023 1.00 0.00 N ATOM 182 CA ASP A 13 -0.805 -7.023 -3.654 1.00 0.00 C ATOM 183 C ASP A 13 -0.164 -5.921 -2.819 1.00 0.00 C ATOM 184 O ASP A 13 -0.695 -5.545 -1.773 1.00 0.00 O ATOM 185 CB ASP A 13 0.064 -8.275 -3.630 1.00 0.00 C ATOM 186 CG ASP A 13 1.045 -8.285 -4.779 1.00 0.00 C ATOM 187 OD1 ASP A 13 1.734 -7.262 -4.985 1.00 0.00 O ATOM 188 OD2 ASP A 13 1.104 -9.298 -5.493 1.00 0.00 O ATOM 0 H ASP A 13 -0.206 -6.787 -5.632 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.779 -7.244 -3.217 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.606 -8.326 -2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.569 -9.161 -3.682 1.00 0.00 H new ATOM 193 N VAL A 14 0.962 -5.376 -3.280 1.00 0.00 N ATOM 194 CA VAL A 14 1.710 -4.432 -2.462 1.00 0.00 C ATOM 195 C VAL A 14 0.937 -3.129 -2.303 1.00 0.00 C ATOM 196 O VAL A 14 1.001 -2.480 -1.259 1.00 0.00 O ATOM 197 CB VAL A 14 3.121 -4.159 -3.023 1.00 0.00 C ATOM 198 CG1 VAL A 14 3.740 -5.442 -3.544 1.00 0.00 C ATOM 199 CG2 VAL A 14 3.106 -3.077 -4.086 1.00 0.00 C ATOM 0 H VAL A 14 1.367 -5.569 -4.196 1.00 0.00 H new ATOM 0 HA VAL A 14 1.837 -4.891 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 14 3.740 -3.788 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.735 -5.233 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.815 -6.166 -2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.115 -5.851 -4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.119 -2.915 -4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.464 -3.386 -4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.724 -2.151 -3.657 1.00 0.00 H new ATOM 209 N ALA A 15 0.209 -2.756 -3.348 1.00 0.00 N ATOM 210 CA ALA A 15 -0.730 -1.642 -3.271 1.00 0.00 C ATOM 211 C ALA A 15 -1.734 -1.861 -2.140 1.00 0.00 C ATOM 212 O ALA A 15 -1.999 -0.958 -1.350 1.00 0.00 O ATOM 213 CB ALA A 15 -1.447 -1.459 -4.603 1.00 0.00 C ATOM 0 H ALA A 15 0.250 -3.209 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.170 -0.732 -3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.144 -0.624 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.716 -1.253 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.995 -2.369 -4.849 1.00 0.00 H new ATOM 219 N THR A 16 -2.262 -3.078 -2.047 1.00 0.00 N ATOM 220 CA THR A 16 -3.188 -3.431 -0.980 1.00 0.00 C ATOM 221 C THR A 16 -2.491 -3.367 0.384 1.00 0.00 C ATOM 222 O THR A 16 -3.074 -2.916 1.376 1.00 0.00 O ATOM 223 CB THR A 16 -3.779 -4.840 -1.207 1.00 0.00 C ATOM 224 OG1 THR A 16 -4.443 -4.887 -2.480 1.00 0.00 O ATOM 225 CG2 THR A 16 -4.770 -5.209 -0.112 1.00 0.00 C ATOM 0 H THR A 16 -2.063 -3.836 -2.700 1.00 0.00 H new ATOM 0 HA THR A 16 -4.003 -2.708 -0.992 1.00 0.00 H new ATOM 0 HB THR A 16 -2.958 -5.556 -1.185 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.829 -5.242 -3.156 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.167 -6.206 -0.302 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.266 -5.197 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.588 -4.488 -0.103 1.00 0.00 H new ATOM 233 N HIS A 17 -1.236 -3.812 0.424 1.00 0.00 N ATOM 234 CA HIS A 17 -0.433 -3.739 1.643 1.00 0.00 C ATOM 235 C HIS A 17 -0.330 -2.295 2.129 1.00 0.00 C ATOM 236 O HIS A 17 -0.563 -2.006 3.304 1.00 0.00 O ATOM 237 CB HIS A 17 0.965 -4.318 1.387 1.00 0.00 C ATOM 238 CG HIS A 17 1.857 -4.366 2.597 1.00 0.00 C ATOM 239 ND1 HIS A 17 1.430 -4.769 3.847 1.00 0.00 N ATOM 240 CD2 HIS A 17 3.174 -4.079 2.732 1.00 0.00 C ATOM 241 CE1 HIS A 17 2.444 -4.728 4.691 1.00 0.00 C ATOM 242 NE2 HIS A 17 3.514 -4.314 4.040 1.00 0.00 N ATOM 0 H HIS A 17 -0.754 -4.227 -0.373 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.921 -4.329 2.419 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.858 -5.328 0.991 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.454 -3.723 0.615 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.835 -3.729 1.953 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.404 -4.989 5.738 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.442 -4.189 4.443 1.00 0.00 H new ATOM 251 N PHE A 18 -0.007 -1.391 1.210 1.00 0.00 N ATOM 252 CA PHE A 18 0.137 0.023 1.541 1.00 0.00 C ATOM 253 C PHE A 18 -1.204 0.638 1.928 1.00 0.00 C ATOM 254 O PHE A 18 -1.279 1.412 2.880 1.00 0.00 O ATOM 255 CB PHE A 18 0.771 0.789 0.376 1.00 0.00 C ATOM 256 CG PHE A 18 2.264 0.907 0.490 1.00 0.00 C ATOM 257 CD1 PHE A 18 3.067 -0.223 0.479 1.00 0.00 C ATOM 258 CD2 PHE A 18 2.864 2.151 0.606 1.00 0.00 C ATOM 259 CE1 PHE A 18 4.442 -0.112 0.582 1.00 0.00 C ATOM 260 CE2 PHE A 18 4.237 2.266 0.708 1.00 0.00 C ATOM 261 CZ PHE A 18 5.027 1.134 0.696 1.00 0.00 C ATOM 0 H PHE A 18 0.160 -1.612 0.228 1.00 0.00 H new ATOM 0 HA PHE A 18 0.800 0.100 2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.523 0.287 -0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.337 1.787 0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.615 -1.200 0.389 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.251 3.040 0.617 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.058 -0.999 0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.692 3.241 0.797 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.100 1.222 0.776 1.00 0.00 H new ATOM 271 N ARG A 19 -2.261 0.262 1.211 1.00 0.00 N ATOM 272 CA ARG A 19 -3.613 0.739 1.508 1.00 0.00 C ATOM 273 C ARG A 19 -4.018 0.420 2.944 1.00 0.00 C ATOM 274 O ARG A 19 -4.832 1.125 3.536 1.00 0.00 O ATOM 275 CB ARG A 19 -4.620 0.112 0.545 1.00 0.00 C ATOM 276 CG ARG A 19 -4.781 0.863 -0.765 1.00 0.00 C ATOM 277 CD ARG A 19 -5.472 2.207 -0.563 1.00 0.00 C ATOM 278 NE ARG A 19 -5.822 2.826 -1.839 1.00 0.00 N ATOM 279 CZ ARG A 19 -6.560 3.926 -1.979 1.00 0.00 C ATOM 280 NH1 ARG A 19 -7.045 4.562 -0.916 1.00 0.00 N ATOM 281 NH2 ARG A 19 -6.813 4.394 -3.198 1.00 0.00 N ATOM 0 H ARG A 19 -2.208 -0.375 0.416 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.612 1.822 1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.310 -0.911 0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.590 0.054 1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.802 1.022 -1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.359 0.258 -1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.373 2.068 0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.817 2.873 -0.002 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.474 2.381 -2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.853 4.208 0.021 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.609 5.403 -1.038 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.443 3.911 -4.017 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.377 5.236 -3.314 1.00 0.00 H new ATOM 295 N THR A 20 -3.451 -0.638 3.502 1.00 0.00 N ATOM 296 CA THR A 20 -3.800 -1.048 4.850 1.00 0.00 C ATOM 297 C THR A 20 -2.972 -0.285 5.880 1.00 0.00 C ATOM 298 O THR A 20 -3.515 0.363 6.776 1.00 0.00 O ATOM 299 CB THR A 20 -3.572 -2.559 5.044 1.00 0.00 C ATOM 300 OG1 THR A 20 -4.172 -3.291 3.961 1.00 0.00 O ATOM 301 CG2 THR A 20 -4.156 -3.036 6.370 1.00 0.00 C ATOM 0 H THR A 20 -2.752 -1.224 3.045 1.00 0.00 H new ATOM 0 HA THR A 20 -4.857 -0.823 4.995 1.00 0.00 H new ATOM 0 HB THR A 20 -2.497 -2.740 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.678 -3.114 3.133 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.981 -4.106 6.481 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.677 -2.503 7.191 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.228 -2.840 6.387 1.00 0.00 H new ATOM 309 N LEU A 21 -1.658 -0.338 5.721 1.00 0.00 N ATOM 310 CA LEU A 21 -0.739 0.202 6.716 1.00 0.00 C ATOM 311 C LEU A 21 -0.669 1.726 6.682 1.00 0.00 C ATOM 312 O LEU A 21 -0.117 2.340 7.597 1.00 0.00 O ATOM 313 CB LEU A 21 0.659 -0.414 6.542 1.00 0.00 C ATOM 314 CG LEU A 21 1.247 -0.391 5.127 1.00 0.00 C ATOM 315 CD1 LEU A 21 1.742 0.987 4.745 1.00 0.00 C ATOM 316 CD2 LEU A 21 2.376 -1.391 5.018 1.00 0.00 C ATOM 0 H LEU A 21 -1.201 -0.752 4.908 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.129 -0.071 7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.347 0.110 7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.619 -1.450 6.878 1.00 0.00 H new ATOM 0 HG LEU A 21 0.450 -0.662 4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.151 0.960 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.914 1.694 4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.519 1.301 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.787 -1.367 4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.157 -1.137 5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.998 -2.391 5.232 1.00 0.00 H new ATOM 328 N ILE A 22 -1.226 2.332 5.637 1.00 0.00 N ATOM 329 CA ILE A 22 -1.199 3.781 5.502 1.00 0.00 C ATOM 330 C ILE A 22 -2.054 4.438 6.596 1.00 0.00 C ATOM 331 O ILE A 22 -1.662 5.442 7.189 1.00 0.00 O ATOM 332 CB ILE A 22 -1.655 4.236 4.083 1.00 0.00 C ATOM 333 CG1 ILE A 22 -1.238 5.683 3.818 1.00 0.00 C ATOM 334 CG2 ILE A 22 -3.154 4.072 3.875 1.00 0.00 C ATOM 335 CD1 ILE A 22 0.249 5.844 3.582 1.00 0.00 C ATOM 0 H ILE A 22 -1.698 1.843 4.876 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.167 4.109 5.628 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.155 3.584 3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.779 6.056 2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.533 6.300 4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.420 4.403 2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.425 3.023 3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.691 4.672 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.477 6.894 3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.796 5.501 4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.546 5.253 2.715 1.00 0.00 H new ATOM 347 N LYS A 23 -3.222 3.858 6.877 1.00 0.00 N ATOM 348 CA LYS A 23 -4.077 4.362 7.952 1.00 0.00 C ATOM 349 C LYS A 23 -3.784 3.626 9.259 1.00 0.00 C ATOM 350 O LYS A 23 -4.195 4.054 10.339 1.00 0.00 O ATOM 351 CB LYS A 23 -5.560 4.239 7.586 1.00 0.00 C ATOM 352 CG LYS A 23 -6.064 2.811 7.491 1.00 0.00 C ATOM 353 CD LYS A 23 -7.557 2.787 7.216 1.00 0.00 C ATOM 354 CE LYS A 23 -8.123 1.382 7.297 1.00 0.00 C ATOM 355 NZ LYS A 23 -9.570 1.357 6.969 1.00 0.00 N ATOM 0 H LYS A 23 -3.594 3.048 6.381 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.853 5.420 8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.151 4.772 8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.729 4.736 6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.534 2.285 6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.852 2.282 8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.069 3.427 7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.751 3.200 6.226 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.582 0.731 6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.970 0.984 8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.924 0.381 7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.089 1.959 7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.713 1.713 6.002 1.00 0.00 H new ATOM 369 N SER A 24 -3.055 2.523 9.143 1.00 0.00 N ATOM 370 CA SER A 24 -2.702 1.682 10.282 1.00 0.00 C ATOM 371 C SER A 24 -1.421 2.198 10.948 1.00 0.00 C ATOM 372 O SER A 24 -0.747 1.465 11.669 1.00 0.00 O ATOM 373 CB SER A 24 -2.534 0.231 9.807 1.00 0.00 C ATOM 374 OG SER A 24 -2.361 -0.668 10.889 1.00 0.00 O ATOM 0 H SER A 24 -2.690 2.184 8.253 1.00 0.00 H new ATOM 0 HA SER A 24 -3.499 1.718 11.025 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.409 -0.064 9.228 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.674 0.165 9.141 1.00 0.00 H new ATOM 0 HG SER A 24 -1.690 -0.310 11.507 1.00 0.00 H new ATOM 380 N GLY A 25 -1.195 3.507 10.793 1.00 0.00 N ATOM 381 CA GLY A 25 0.061 4.194 11.132 1.00 0.00 C ATOM 382 C GLY A 25 1.329 3.342 11.177 1.00 0.00 C ATOM 383 O GLY A 25 2.275 3.681 11.886 1.00 0.00 O ATOM 0 H GLY A 25 -1.902 4.139 10.417 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.216 4.993 10.407 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.064 4.667 12.106 1.00 0.00 H new ATOM 387 N GLU A 26 1.349 2.239 10.437 1.00 0.00 N ATOM 388 CA GLU A 26 2.566 1.461 10.261 1.00 0.00 C ATOM 389 C GLU A 26 3.525 2.271 9.399 1.00 0.00 C ATOM 390 O GLU A 26 4.743 2.241 9.583 1.00 0.00 O ATOM 391 CB GLU A 26 2.251 0.109 9.617 1.00 0.00 C ATOM 392 CG GLU A 26 1.218 -0.691 10.388 1.00 0.00 C ATOM 393 CD GLU A 26 0.951 -2.051 9.781 1.00 0.00 C ATOM 394 OE1 GLU A 26 1.821 -2.942 9.898 1.00 0.00 O ATOM 395 OE2 GLU A 26 -0.137 -2.241 9.201 1.00 0.00 O ATOM 0 H GLU A 26 0.535 1.865 9.950 1.00 0.00 H new ATOM 0 HA GLU A 26 3.026 1.257 11.228 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.891 0.272 8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.169 -0.473 9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.558 -0.818 11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.286 -0.128 10.428 1.00 0.00 H new ATOM 402 N LEU A 27 2.939 3.004 8.460 1.00 0.00 N ATOM 403 CA LEU A 27 3.639 4.046 7.732 1.00 0.00 C ATOM 404 C LEU A 27 2.890 5.353 7.921 1.00 0.00 C ATOM 405 O LEU A 27 1.937 5.641 7.201 1.00 0.00 O ATOM 406 CB LEU A 27 3.753 3.725 6.235 1.00 0.00 C ATOM 407 CG LEU A 27 4.632 2.526 5.881 1.00 0.00 C ATOM 408 CD1 LEU A 27 4.735 2.373 4.373 1.00 0.00 C ATOM 409 CD2 LEU A 27 6.014 2.680 6.489 1.00 0.00 C ATOM 0 H LEU A 27 1.964 2.890 8.184 1.00 0.00 H new ATOM 0 HA LEU A 27 4.653 4.121 8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.752 3.547 5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.145 4.604 5.722 1.00 0.00 H new ATOM 0 HG LEU A 27 4.171 1.628 6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.364 1.515 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.740 2.220 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.174 3.274 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.625 1.817 6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.482 3.586 6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.929 2.748 7.574 1.00 0.00 H new ATOM 421 N ALA A 28 3.283 6.109 8.930 1.00 0.00 N ATOM 422 CA ALA A 28 2.648 7.382 9.221 1.00 0.00 C ATOM 423 C ALA A 28 3.188 8.458 8.286 1.00 0.00 C ATOM 424 O ALA A 28 4.237 8.275 7.669 1.00 0.00 O ATOM 425 CB ALA A 28 2.883 7.759 10.680 1.00 0.00 C ATOM 0 H ALA A 28 4.042 5.862 9.565 1.00 0.00 H new ATOM 0 HA ALA A 28 1.574 7.295 9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.404 8.715 10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.460 6.991 11.327 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.954 7.841 10.867 1.00 0.00 H new ATOM 431 N PRO A 29 2.510 9.607 8.173 1.00 0.00 N ATOM 432 CA PRO A 29 2.957 10.673 7.293 1.00 0.00 C ATOM 433 C PRO A 29 4.148 11.403 7.895 1.00 0.00 C ATOM 434 O PRO A 29 4.078 11.908 9.018 1.00 0.00 O ATOM 435 CB PRO A 29 1.742 11.608 7.184 1.00 0.00 C ATOM 436 CG PRO A 29 0.619 10.900 7.875 1.00 0.00 C ATOM 437 CD PRO A 29 1.254 9.952 8.847 1.00 0.00 C ATOM 0 HA PRO A 29 3.286 10.303 6.322 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.946 12.570 7.654 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.495 11.808 6.141 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.029 11.609 8.390 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.002 10.363 7.158 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.428 10.419 9.816 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.633 9.074 9.023 1.00 0.00 H new ATOM 445 N GLY A 30 5.242 11.446 7.150 1.00 0.00 N ATOM 446 CA GLY A 30 6.495 11.916 7.705 1.00 0.00 C ATOM 447 C GLY A 30 7.475 10.772 7.855 1.00 0.00 C ATOM 448 O GLY A 30 8.686 10.978 7.973 1.00 0.00 O ATOM 0 H GLY A 30 5.285 11.164 6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.920 12.683 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.318 12.379 8.675 1.00 0.00 H new ATOM 452 N ASP A 31 6.935 9.558 7.857 1.00 0.00 N ATOM 453 CA ASP A 31 7.737 8.344 7.841 1.00 0.00 C ATOM 454 C ASP A 31 7.940 7.948 6.388 1.00 0.00 C ATOM 455 O ASP A 31 7.252 8.473 5.516 1.00 0.00 O ATOM 456 CB ASP A 31 7.046 7.224 8.625 1.00 0.00 C ATOM 457 CG ASP A 31 7.968 6.052 8.896 1.00 0.00 C ATOM 458 OD1 ASP A 31 8.750 6.122 9.871 1.00 0.00 O ATOM 459 OD2 ASP A 31 7.919 5.063 8.145 1.00 0.00 O ATOM 0 H ASP A 31 5.929 9.390 7.870 1.00 0.00 H new ATOM 0 HA ASP A 31 8.700 8.518 8.321 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.679 7.620 9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.177 6.877 8.067 1.00 0.00 H new ATOM 464 N THR A 32 8.892 7.086 6.096 1.00 0.00 N ATOM 465 CA THR A 32 9.216 6.819 4.712 1.00 0.00 C ATOM 466 C THR A 32 8.778 5.473 4.211 1.00 0.00 C ATOM 467 O THR A 32 8.483 4.542 4.961 1.00 0.00 O ATOM 468 CB THR A 32 10.713 6.969 4.422 1.00 0.00 C ATOM 469 OG1 THR A 32 11.016 6.659 3.057 1.00 0.00 O ATOM 470 CG2 THR A 32 11.575 6.121 5.337 1.00 0.00 C ATOM 0 H THR A 32 9.443 6.569 6.781 1.00 0.00 H new ATOM 0 HA THR A 32 8.646 7.578 4.176 1.00 0.00 H new ATOM 0 HB THR A 32 10.949 8.016 4.614 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.978 6.765 2.903 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.626 6.267 5.086 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.405 6.415 6.373 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.315 5.070 5.211 1.00 0.00 H new ATOM 478 N LEU A 33 8.750 5.441 2.899 1.00 0.00 N ATOM 479 CA LEU A 33 8.619 4.252 2.112 1.00 0.00 C ATOM 480 C LEU A 33 9.761 3.306 2.473 1.00 0.00 C ATOM 481 O LEU A 33 10.926 3.571 2.168 1.00 0.00 O ATOM 482 CB LEU A 33 8.690 4.645 0.632 1.00 0.00 C ATOM 483 CG LEU A 33 7.499 5.445 0.062 1.00 0.00 C ATOM 484 CD1 LEU A 33 7.158 6.668 0.902 1.00 0.00 C ATOM 485 CD2 LEU A 33 7.823 5.908 -1.338 1.00 0.00 C ATOM 0 H LEU A 33 8.822 6.286 2.332 1.00 0.00 H new ATOM 0 HA LEU A 33 7.670 3.752 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.596 5.232 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.798 3.734 0.044 1.00 0.00 H new ATOM 0 HG LEU A 33 6.638 4.776 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.314 7.193 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.896 6.354 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.020 7.334 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.981 6.472 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.708 6.544 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.014 5.042 -1.972 1.00 0.00 H new ATOM 497 N PRO A 34 9.428 2.213 3.149 1.00 0.00 N ATOM 498 CA PRO A 34 10.409 1.284 3.710 1.00 0.00 C ATOM 499 C PRO A 34 11.083 0.422 2.662 1.00 0.00 C ATOM 500 O PRO A 34 10.740 0.467 1.479 1.00 0.00 O ATOM 501 CB PRO A 34 9.569 0.389 4.628 1.00 0.00 C ATOM 502 CG PRO A 34 8.177 0.494 4.111 1.00 0.00 C ATOM 503 CD PRO A 34 8.058 1.863 3.503 1.00 0.00 C ATOM 0 HA PRO A 34 11.215 1.824 4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.922 -0.642 4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.630 0.721 5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.978 -0.280 3.370 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.452 0.360 4.914 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.409 1.856 2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.633 2.577 4.208 1.00 0.00 H new ATOM 511 N SER A 35 12.043 -0.363 3.117 1.00 0.00 N ATOM 512 CA SER A 35 12.774 -1.262 2.249 1.00 0.00 C ATOM 513 C SER A 35 11.826 -2.318 1.697 1.00 0.00 C ATOM 514 O SER A 35 10.772 -2.583 2.281 1.00 0.00 O ATOM 515 CB SER A 35 13.917 -1.921 3.035 1.00 0.00 C ATOM 516 OG SER A 35 14.704 -2.771 2.212 1.00 0.00 O ATOM 0 H SER A 35 12.335 -0.394 4.094 1.00 0.00 H new ATOM 0 HA SER A 35 13.201 -0.704 1.416 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.551 -1.149 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.504 -2.498 3.862 1.00 0.00 H new ATOM 0 HG SER A 35 15.422 -3.171 2.746 1.00 0.00 H new ATOM 522 N VAL A 36 12.207 -2.921 0.574 1.00 0.00 N ATOM 523 CA VAL A 36 11.390 -3.942 -0.077 1.00 0.00 C ATOM 524 C VAL A 36 11.056 -5.082 0.882 1.00 0.00 C ATOM 525 O VAL A 36 10.102 -5.819 0.666 1.00 0.00 O ATOM 526 CB VAL A 36 12.091 -4.516 -1.330 1.00 0.00 C ATOM 527 CG1 VAL A 36 12.279 -3.432 -2.382 1.00 0.00 C ATOM 528 CG2 VAL A 36 13.431 -5.143 -0.966 1.00 0.00 C ATOM 0 H VAL A 36 13.083 -2.718 0.093 1.00 0.00 H new ATOM 0 HA VAL A 36 10.465 -3.454 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 36 11.453 -5.296 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.774 -3.855 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.307 -3.034 -2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.891 -2.629 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.903 -5.539 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 36 14.077 -4.387 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.272 -5.952 -0.253 1.00 0.00 H new ATOM 538 N ALA A 37 11.840 -5.195 1.950 1.00 0.00 N ATOM 539 CA ALA A 37 11.678 -6.248 2.941 1.00 0.00 C ATOM 540 C ALA A 37 10.256 -6.309 3.507 1.00 0.00 C ATOM 541 O ALA A 37 9.633 -7.369 3.484 1.00 0.00 O ATOM 542 CB ALA A 37 12.687 -6.053 4.059 1.00 0.00 C ATOM 0 H ALA A 37 12.608 -4.555 2.151 1.00 0.00 H new ATOM 0 HA ALA A 37 11.857 -7.201 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.565 -6.842 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.696 -6.093 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 37 12.525 -5.084 4.530 1.00 0.00 H new ATOM 548 N ASP A 38 9.744 -5.180 4.001 1.00 0.00 N ATOM 549 CA ASP A 38 8.415 -5.143 4.634 1.00 0.00 C ATOM 550 C ASP A 38 7.338 -5.597 3.668 1.00 0.00 C ATOM 551 O ASP A 38 6.535 -6.488 3.971 1.00 0.00 O ATOM 552 CB ASP A 38 8.084 -3.732 5.127 1.00 0.00 C ATOM 553 CG ASP A 38 6.768 -3.667 5.876 1.00 0.00 C ATOM 554 OD1 ASP A 38 5.707 -3.563 5.221 1.00 0.00 O ATOM 555 OD2 ASP A 38 6.793 -3.714 7.124 1.00 0.00 O ATOM 0 H ASP A 38 10.224 -4.280 3.977 1.00 0.00 H new ATOM 0 HA ASP A 38 8.442 -5.825 5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.885 -3.382 5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.046 -3.054 4.275 1.00 0.00 H new ATOM 560 N ILE A 39 7.320 -4.958 2.510 1.00 0.00 N ATOM 561 CA ILE A 39 6.388 -5.303 1.451 1.00 0.00 C ATOM 562 C ILE A 39 6.518 -6.782 1.078 1.00 0.00 C ATOM 563 O ILE A 39 5.543 -7.520 1.111 1.00 0.00 O ATOM 564 CB ILE A 39 6.611 -4.456 0.171 1.00 0.00 C ATOM 565 CG1 ILE A 39 6.550 -2.949 0.442 1.00 0.00 C ATOM 566 CG2 ILE A 39 5.584 -4.816 -0.887 1.00 0.00 C ATOM 567 CD1 ILE A 39 7.826 -2.369 1.009 1.00 0.00 C ATOM 0 H ILE A 39 7.949 -4.189 2.279 1.00 0.00 H new ATOM 0 HA ILE A 39 5.391 -5.094 1.840 1.00 0.00 H new ATOM 0 HB ILE A 39 7.614 -4.689 -0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.312 -2.433 -0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.733 -2.749 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.754 -4.213 -1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.677 -5.872 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.583 -4.622 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.698 -1.299 1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.057 -2.855 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.644 -2.535 0.308 1.00 0.00 H new ATOM 579 N ARG A 40 7.745 -7.192 0.765 1.00 0.00 N ATOM 580 CA ARG A 40 8.039 -8.524 0.228 1.00 0.00 C ATOM 581 C ARG A 40 7.750 -9.650 1.220 1.00 0.00 C ATOM 582 O ARG A 40 7.267 -10.717 0.838 1.00 0.00 O ATOM 583 CB ARG A 40 9.514 -8.578 -0.176 1.00 0.00 C ATOM 584 CG ARG A 40 10.014 -9.962 -0.539 1.00 0.00 C ATOM 585 CD ARG A 40 11.530 -10.021 -0.493 1.00 0.00 C ATOM 586 NE ARG A 40 12.050 -9.746 0.852 1.00 0.00 N ATOM 587 CZ ARG A 40 13.347 -9.619 1.139 1.00 0.00 C ATOM 588 NH1 ARG A 40 14.261 -9.730 0.182 1.00 0.00 N ATOM 589 NH2 ARG A 40 13.737 -9.379 2.387 1.00 0.00 N ATOM 0 H ARG A 40 8.572 -6.606 0.877 1.00 0.00 H new ATOM 0 HA ARG A 40 7.384 -8.680 -0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.670 -7.914 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.117 -8.191 0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.597 -10.696 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.666 -10.228 -1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.865 -11.007 -0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.943 -9.298 -1.196 1.00 0.00 H new ATOM 0 HE ARG A 40 11.379 -9.646 1.614 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.973 -9.913 -0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.251 -9.632 0.408 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.044 -9.291 3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.730 -9.283 2.602 1.00 0.00 H new ATOM 603 N ALA A 41 8.078 -9.428 2.482 1.00 0.00 N ATOM 604 CA ALA A 41 7.987 -10.484 3.477 1.00 0.00 C ATOM 605 C ALA A 41 6.556 -10.731 3.909 1.00 0.00 C ATOM 606 O ALA A 41 6.119 -11.879 3.995 1.00 0.00 O ATOM 607 CB ALA A 41 8.851 -10.151 4.678 1.00 0.00 C ATOM 0 H ALA A 41 8.408 -8.532 2.841 1.00 0.00 H new ATOM 0 HA ALA A 41 8.353 -11.402 3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.773 -10.950 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.889 -10.048 4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.512 -9.215 5.121 1.00 0.00 H new ATOM 613 N GLN A 42 5.834 -9.659 4.189 1.00 0.00 N ATOM 614 CA GLN A 42 4.449 -9.780 4.605 1.00 0.00 C ATOM 615 C GLN A 42 3.559 -10.097 3.418 1.00 0.00 C ATOM 616 O GLN A 42 2.833 -11.091 3.419 1.00 0.00 O ATOM 617 CB GLN A 42 4.005 -8.497 5.281 1.00 0.00 C ATOM 618 CG GLN A 42 4.482 -8.399 6.721 1.00 0.00 C ATOM 619 CD GLN A 42 4.485 -6.984 7.258 1.00 0.00 C ATOM 620 OE1 GLN A 42 4.209 -6.757 8.436 1.00 0.00 O ATOM 621 NE2 GLN A 42 4.846 -6.032 6.416 1.00 0.00 N ATOM 0 H GLN A 42 6.182 -8.702 4.136 1.00 0.00 H new ATOM 0 HA GLN A 42 4.363 -10.602 5.316 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.384 -7.644 4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.917 -8.436 5.258 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.842 -9.017 7.351 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.490 -8.808 6.791 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.066 -6.264 5.448 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.905 -5.065 6.734 1.00 0.00 H new ATOM 630 N PHE A 43 3.609 -9.248 2.413 1.00 0.00 N ATOM 631 CA PHE A 43 2.887 -9.503 1.188 1.00 0.00 C ATOM 632 C PHE A 43 3.778 -10.242 0.212 1.00 0.00 C ATOM 633 O PHE A 43 4.689 -9.662 -0.364 1.00 0.00 O ATOM 634 CB PHE A 43 2.345 -8.208 0.594 1.00 0.00 C ATOM 635 CG PHE A 43 0.936 -7.926 1.036 1.00 0.00 C ATOM 636 CD1 PHE A 43 0.654 -7.646 2.362 1.00 0.00 C ATOM 637 CD2 PHE A 43 -0.108 -7.963 0.127 1.00 0.00 C ATOM 638 CE1 PHE A 43 -0.643 -7.400 2.772 1.00 0.00 C ATOM 639 CE2 PHE A 43 -1.407 -7.720 0.532 1.00 0.00 C ATOM 640 CZ PHE A 43 -1.675 -7.437 1.856 1.00 0.00 C ATOM 0 H PHE A 43 4.141 -8.378 2.422 1.00 0.00 H new ATOM 0 HA PHE A 43 2.026 -10.135 1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.989 -7.379 0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.378 -8.268 -0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.456 -7.619 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.095 -8.184 -0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.849 -7.179 3.809 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.212 -7.752 -0.187 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.689 -7.245 2.174 1.00 0.00 H new ATOM 650 N GLY A 44 3.514 -11.535 0.093 1.00 0.00 N ATOM 651 CA GLY A 44 4.297 -12.433 -0.746 1.00 0.00 C ATOM 652 C GLY A 44 4.521 -11.935 -2.160 1.00 0.00 C ATOM 653 O GLY A 44 3.773 -12.270 -3.078 1.00 0.00 O ATOM 0 H GLY A 44 2.744 -11.995 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.266 -12.598 -0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.795 -13.399 -0.790 1.00 0.00 H new ATOM 657 N VAL A 45 5.565 -11.142 -2.315 1.00 0.00 N ATOM 658 CA VAL A 45 5.992 -10.626 -3.602 1.00 0.00 C ATOM 659 C VAL A 45 7.507 -10.708 -3.683 1.00 0.00 C ATOM 660 O VAL A 45 8.156 -11.124 -2.726 1.00 0.00 O ATOM 661 CB VAL A 45 5.558 -9.153 -3.805 1.00 0.00 C ATOM 662 CG1 VAL A 45 4.050 -9.018 -3.807 1.00 0.00 C ATOM 663 CG2 VAL A 45 6.154 -8.262 -2.731 1.00 0.00 C ATOM 0 H VAL A 45 6.149 -10.834 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 45 5.523 -11.227 -4.382 1.00 0.00 H new ATOM 0 HB VAL A 45 5.933 -8.834 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.779 -7.972 -3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.632 -9.617 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.652 -9.368 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.835 -7.232 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.814 -8.596 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.242 -8.317 -2.775 1.00 0.00 H new ATOM 673 N ALA A 46 8.074 -10.329 -4.811 1.00 0.00 N ATOM 674 CA ALA A 46 9.516 -10.233 -4.928 1.00 0.00 C ATOM 675 C ALA A 46 9.936 -8.789 -4.710 1.00 0.00 C ATOM 676 O ALA A 46 9.085 -7.917 -4.531 1.00 0.00 O ATOM 677 CB ALA A 46 9.979 -10.739 -6.285 1.00 0.00 C ATOM 0 H ALA A 46 7.561 -10.083 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 46 9.986 -10.859 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.064 -10.658 -6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.684 -11.782 -6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.521 -10.140 -7.072 1.00 0.00 H new ATOM 683 N ALA A 47 11.229 -8.519 -4.759 1.00 0.00 N ATOM 684 CA ALA A 47 11.720 -7.172 -4.515 1.00 0.00 C ATOM 685 C ALA A 47 11.473 -6.300 -5.736 1.00 0.00 C ATOM 686 O ALA A 47 11.194 -5.105 -5.619 1.00 0.00 O ATOM 687 CB ALA A 47 13.199 -7.202 -4.166 1.00 0.00 C ATOM 0 H ALA A 47 11.953 -9.207 -4.964 1.00 0.00 H new ATOM 0 HA ALA A 47 11.180 -6.747 -3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.551 -6.186 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.349 -7.802 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.759 -7.639 -4.993 1.00 0.00 H new ATOM 693 N LYS A 48 11.543 -6.912 -6.910 1.00 0.00 N ATOM 694 CA LYS A 48 11.241 -6.215 -8.147 1.00 0.00 C ATOM 695 C LYS A 48 9.755 -5.883 -8.212 1.00 0.00 C ATOM 696 O LYS A 48 9.367 -4.817 -8.693 1.00 0.00 O ATOM 697 CB LYS A 48 11.654 -7.061 -9.357 1.00 0.00 C ATOM 698 CG LYS A 48 11.569 -6.333 -10.694 1.00 0.00 C ATOM 699 CD LYS A 48 12.694 -5.311 -10.876 1.00 0.00 C ATOM 700 CE LYS A 48 12.525 -4.092 -9.983 1.00 0.00 C ATOM 701 NZ LYS A 48 13.606 -3.092 -10.192 1.00 0.00 N ATOM 0 H LYS A 48 11.807 -7.890 -7.029 1.00 0.00 H new ATOM 0 HA LYS A 48 11.809 -5.285 -8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.677 -7.407 -9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.020 -7.947 -9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.609 -7.061 -11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.607 -5.827 -10.768 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.651 -5.786 -10.659 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.726 -4.992 -11.918 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.559 -3.628 -10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.519 -4.406 -8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.452 -2.278 -9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.526 -3.526 -9.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.597 -2.772 -11.182 1.00 0.00 H new ATOM 715 N THR A 49 8.925 -6.790 -7.708 1.00 0.00 N ATOM 716 CA THR A 49 7.496 -6.570 -7.669 1.00 0.00 C ATOM 717 C THR A 49 7.183 -5.395 -6.728 1.00 0.00 C ATOM 718 O THR A 49 6.565 -4.436 -7.145 1.00 0.00 O ATOM 719 CB THR A 49 6.762 -7.862 -7.230 1.00 0.00 C ATOM 720 OG1 THR A 49 7.688 -8.950 -7.270 1.00 0.00 O ATOM 721 CG2 THR A 49 5.575 -8.207 -8.142 1.00 0.00 C ATOM 0 H THR A 49 9.225 -7.685 -7.321 1.00 0.00 H new ATOM 0 HA THR A 49 7.139 -6.315 -8.667 1.00 0.00 H new ATOM 0 HB THR A 49 6.375 -7.693 -6.225 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.241 -9.747 -7.624 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.098 -9.121 -7.788 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.853 -7.390 -8.124 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.931 -8.355 -9.162 1.00 0.00 H new ATOM 729 N VAL A 50 7.663 -5.429 -5.489 1.00 0.00 N ATOM 730 CA VAL A 50 7.467 -4.300 -4.561 1.00 0.00 C ATOM 731 C VAL A 50 7.657 -2.958 -5.274 1.00 0.00 C ATOM 732 O VAL A 50 6.785 -2.087 -5.248 1.00 0.00 O ATOM 733 CB VAL A 50 8.495 -4.359 -3.416 1.00 0.00 C ATOM 734 CG1 VAL A 50 8.377 -3.143 -2.514 1.00 0.00 C ATOM 735 CG2 VAL A 50 8.365 -5.643 -2.615 1.00 0.00 C ATOM 0 H VAL A 50 8.186 -6.213 -5.099 1.00 0.00 H new ATOM 0 HA VAL A 50 6.451 -4.379 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 50 9.487 -4.351 -3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.114 -3.210 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.555 -2.239 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.377 -3.105 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.106 -5.650 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.366 -5.703 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.530 -6.499 -3.270 1.00 0.00 H new ATOM 745 N SER A 51 8.793 -2.837 -5.941 1.00 0.00 N ATOM 746 CA SER A 51 9.167 -1.622 -6.652 1.00 0.00 C ATOM 747 C SER A 51 8.180 -1.249 -7.764 1.00 0.00 C ATOM 748 O SER A 51 7.942 -0.066 -8.001 1.00 0.00 O ATOM 749 CB SER A 51 10.571 -1.787 -7.244 1.00 0.00 C ATOM 750 OG SER A 51 10.980 -0.628 -7.952 1.00 0.00 O ATOM 0 H SER A 51 9.487 -3.582 -6.006 1.00 0.00 H new ATOM 0 HA SER A 51 9.149 -0.809 -5.926 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.281 -1.995 -6.444 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.585 -2.647 -7.914 1.00 0.00 H new ATOM 0 HG SER A 51 11.880 -0.767 -8.315 1.00 0.00 H new ATOM 756 N ARG A 52 7.583 -2.234 -8.435 1.00 0.00 N ATOM 757 CA ARG A 52 6.819 -1.934 -9.648 1.00 0.00 C ATOM 758 C ARG A 52 5.491 -1.225 -9.347 1.00 0.00 C ATOM 759 O ARG A 52 5.034 -0.415 -10.153 1.00 0.00 O ATOM 760 CB ARG A 52 6.634 -3.171 -10.570 1.00 0.00 C ATOM 761 CG ARG A 52 6.179 -4.456 -9.905 1.00 0.00 C ATOM 762 CD ARG A 52 4.764 -4.356 -9.367 1.00 0.00 C ATOM 763 NE ARG A 52 4.395 -5.520 -8.556 1.00 0.00 N ATOM 764 CZ ARG A 52 3.998 -5.453 -7.273 1.00 0.00 C ATOM 765 NH1 ARG A 52 3.942 -4.294 -6.661 1.00 0.00 N ATOM 766 NH2 ARG A 52 3.641 -6.547 -6.620 1.00 0.00 N ATOM 0 H ARG A 52 7.610 -3.219 -8.171 1.00 0.00 H new ATOM 0 HA ARG A 52 7.426 -1.227 -10.213 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.910 -2.914 -11.343 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.582 -3.365 -11.072 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.235 -5.274 -10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.859 -4.701 -9.089 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.669 -3.452 -8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.067 -4.260 -10.199 1.00 0.00 H new ATOM 0 HE ARG A 52 4.442 -6.440 -8.993 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.200 -3.442 -7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.641 -4.245 -5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.665 -7.452 -7.090 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.341 -6.485 -5.647 1.00 0.00 H new ATOM 780 N ALA A 53 4.866 -1.501 -8.199 1.00 0.00 N ATOM 781 CA ALA A 53 3.682 -0.746 -7.810 1.00 0.00 C ATOM 782 C ALA A 53 4.039 0.471 -6.964 1.00 0.00 C ATOM 783 O ALA A 53 3.164 1.261 -6.638 1.00 0.00 O ATOM 784 CB ALA A 53 2.682 -1.620 -7.080 1.00 0.00 C ATOM 0 H ALA A 53 5.154 -2.224 -7.540 1.00 0.00 H new ATOM 0 HA ALA A 53 3.219 -0.391 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.811 -1.025 -6.805 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.371 -2.438 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.143 -2.027 -6.180 1.00 0.00 H new ATOM 790 N LEU A 54 5.314 0.628 -6.603 1.00 0.00 N ATOM 791 CA LEU A 54 5.742 1.813 -5.851 1.00 0.00 C ATOM 792 C LEU A 54 5.410 3.088 -6.619 1.00 0.00 C ATOM 793 O LEU A 54 5.052 4.104 -6.027 1.00 0.00 O ATOM 794 CB LEU A 54 7.242 1.772 -5.539 1.00 0.00 C ATOM 795 CG LEU A 54 7.666 0.782 -4.449 1.00 0.00 C ATOM 796 CD1 LEU A 54 9.169 0.847 -4.223 1.00 0.00 C ATOM 797 CD2 LEU A 54 6.925 1.063 -3.152 1.00 0.00 C ATOM 0 H LEU A 54 6.058 -0.037 -6.814 1.00 0.00 H new ATOM 0 HA LEU A 54 5.197 1.811 -4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.779 1.527 -6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.560 2.771 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 54 7.409 -0.223 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.451 0.137 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.687 0.596 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.447 1.854 -3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.240 0.349 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.151 2.075 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.852 0.966 -3.318 1.00 0.00 H new ATOM 809 N ALA A 55 5.509 3.018 -7.942 1.00 0.00 N ATOM 810 CA ALA A 55 5.144 4.140 -8.801 1.00 0.00 C ATOM 811 C ALA A 55 3.635 4.391 -8.764 1.00 0.00 C ATOM 812 O ALA A 55 3.160 5.460 -9.134 1.00 0.00 O ATOM 813 CB ALA A 55 5.611 3.887 -10.226 1.00 0.00 C ATOM 0 H ALA A 55 5.840 2.194 -8.444 1.00 0.00 H new ATOM 0 HA ALA A 55 5.641 5.034 -8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.332 4.732 -10.856 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.694 3.768 -10.238 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.142 2.980 -10.607 1.00 0.00 H new ATOM 819 N VAL A 56 2.888 3.398 -8.313 1.00 0.00 N ATOM 820 CA VAL A 56 1.450 3.530 -8.145 1.00 0.00 C ATOM 821 C VAL A 56 1.141 4.028 -6.733 1.00 0.00 C ATOM 822 O VAL A 56 0.173 4.755 -6.513 1.00 0.00 O ATOM 823 CB VAL A 56 0.730 2.181 -8.382 1.00 0.00 C ATOM 824 CG1 VAL A 56 -0.780 2.355 -8.346 1.00 0.00 C ATOM 825 CG2 VAL A 56 1.169 1.553 -9.700 1.00 0.00 C ATOM 0 H VAL A 56 3.257 2.483 -8.054 1.00 0.00 H new ATOM 0 HA VAL A 56 1.088 4.247 -8.882 1.00 0.00 H new ATOM 0 HB VAL A 56 1.012 1.506 -7.574 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.261 1.392 -8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.078 2.744 -7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.084 3.055 -9.125 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.649 0.606 -9.843 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.928 2.227 -10.522 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.244 1.376 -9.679 1.00 0.00 H new ATOM 835 N LEU A 57 2.020 3.683 -5.795 1.00 0.00 N ATOM 836 CA LEU A 57 1.823 3.964 -4.375 1.00 0.00 C ATOM 837 C LEU A 57 2.032 5.433 -4.072 1.00 0.00 C ATOM 838 O LEU A 57 1.944 5.858 -2.927 1.00 0.00 O ATOM 839 CB LEU A 57 2.763 3.094 -3.532 1.00 0.00 C ATOM 840 CG LEU A 57 2.224 1.705 -3.150 1.00 0.00 C ATOM 841 CD1 LEU A 57 1.333 1.130 -4.239 1.00 0.00 C ATOM 842 CD2 LEU A 57 3.376 0.757 -2.877 1.00 0.00 C ATOM 0 H LEU A 57 2.894 3.198 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 57 0.793 3.719 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.696 2.963 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.004 3.634 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 57 1.622 1.820 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.972 0.148 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.484 1.794 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.903 1.035 -5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.984 -0.224 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.993 0.668 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.980 1.145 -2.056 1.00 0.00 H new ATOM 854 N LYS A 58 2.288 6.211 -5.098 1.00 0.00 N ATOM 855 CA LYS A 58 2.348 7.642 -4.938 1.00 0.00 C ATOM 856 C LYS A 58 0.929 8.224 -4.965 1.00 0.00 C ATOM 857 O LYS A 58 0.585 9.091 -4.168 1.00 0.00 O ATOM 858 CB LYS A 58 3.239 8.256 -6.024 1.00 0.00 C ATOM 859 CG LYS A 58 2.698 8.118 -7.439 1.00 0.00 C ATOM 860 CD LYS A 58 3.753 8.461 -8.481 1.00 0.00 C ATOM 861 CE LYS A 58 4.405 9.807 -8.208 1.00 0.00 C ATOM 862 NZ LYS A 58 5.449 10.127 -9.213 1.00 0.00 N ATOM 0 H LYS A 58 2.457 5.878 -6.047 1.00 0.00 H new ATOM 0 HA LYS A 58 2.792 7.888 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.380 9.314 -5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.222 7.787 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.349 7.098 -7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.836 8.773 -7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.517 7.684 -8.493 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.295 8.474 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.644 10.587 -8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.849 9.801 -7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.870 11.052 -8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.188 9.396 -9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.021 10.158 -10.160 1.00 0.00 H new ATOM 876 N SER A 59 0.099 7.718 -5.874 1.00 0.00 N ATOM 877 CA SER A 59 -1.280 8.170 -5.991 1.00 0.00 C ATOM 878 C SER A 59 -2.194 7.262 -5.177 1.00 0.00 C ATOM 879 O SER A 59 -3.102 7.714 -4.478 1.00 0.00 O ATOM 880 CB SER A 59 -1.709 8.170 -7.462 1.00 0.00 C ATOM 881 OG SER A 59 -0.780 8.883 -8.265 1.00 0.00 O ATOM 0 H SER A 59 0.361 6.992 -6.541 1.00 0.00 H new ATOM 0 HA SER A 59 -1.356 9.186 -5.604 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.792 7.144 -7.820 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.697 8.621 -7.556 1.00 0.00 H new ATOM 0 HG SER A 59 -1.075 8.867 -9.199 1.00 0.00 H new ATOM 887 N GLU A 60 -1.911 5.975 -5.274 1.00 0.00 N ATOM 888 CA GLU A 60 -2.717 4.932 -4.667 1.00 0.00 C ATOM 889 C GLU A 60 -2.237 4.632 -3.246 1.00 0.00 C ATOM 890 O GLU A 60 -3.030 4.332 -2.358 1.00 0.00 O ATOM 891 CB GLU A 60 -2.623 3.687 -5.558 1.00 0.00 C ATOM 892 CG GLU A 60 -3.184 2.420 -4.952 1.00 0.00 C ATOM 893 CD GLU A 60 -4.680 2.483 -4.723 1.00 0.00 C ATOM 894 OE1 GLU A 60 -5.324 3.444 -5.195 1.00 0.00 O ATOM 895 OE2 GLU A 60 -5.213 1.580 -4.050 1.00 0.00 O ATOM 0 H GLU A 60 -1.102 5.620 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.755 5.255 -4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.148 3.888 -6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.576 3.518 -5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.958 1.579 -5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.685 2.226 -4.003 1.00 0.00 H new ATOM 902 N GLY A 61 -0.930 4.733 -3.041 1.00 0.00 N ATOM 903 CA GLY A 61 -0.351 4.457 -1.736 1.00 0.00 C ATOM 904 C GLY A 61 -0.263 5.695 -0.865 1.00 0.00 C ATOM 905 O GLY A 61 0.063 5.597 0.315 1.00 0.00 O ATOM 0 H GLY A 61 -0.256 5.002 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.951 3.702 -1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.646 4.037 -1.866 1.00 0.00 H new ATOM 909 N LEU A 62 -0.515 6.858 -1.476 1.00 0.00 N ATOM 910 CA LEU A 62 -0.643 8.132 -0.755 1.00 0.00 C ATOM 911 C LEU A 62 0.710 8.759 -0.374 1.00 0.00 C ATOM 912 O LEU A 62 0.751 9.739 0.361 1.00 0.00 O ATOM 913 CB LEU A 62 -1.516 7.965 0.500 1.00 0.00 C ATOM 914 CG LEU A 62 -3.036 8.038 0.283 1.00 0.00 C ATOM 915 CD1 LEU A 62 -3.527 6.911 -0.609 1.00 0.00 C ATOM 916 CD2 LEU A 62 -3.760 8.006 1.620 1.00 0.00 C ATOM 0 H LEU A 62 -0.636 6.944 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.126 8.820 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.281 7.003 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.235 8.735 1.218 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.256 8.980 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.606 6.995 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.037 6.976 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.291 5.952 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.836 8.058 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.519 7.080 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.445 8.856 2.225 1.00 0.00 H new ATOM 928 N VAL A 63 1.802 8.264 -0.932 1.00 0.00 N ATOM 929 CA VAL A 63 3.130 8.739 -0.530 1.00 0.00 C ATOM 930 C VAL A 63 3.650 9.732 -1.564 1.00 0.00 C ATOM 931 O VAL A 63 3.261 9.679 -2.733 1.00 0.00 O ATOM 932 CB VAL A 63 4.127 7.571 -0.361 1.00 0.00 C ATOM 933 CG1 VAL A 63 3.536 6.501 0.542 1.00 0.00 C ATOM 934 CG2 VAL A 63 4.473 6.982 -1.715 1.00 0.00 C ATOM 0 H VAL A 63 1.805 7.544 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 63 3.037 9.231 0.438 1.00 0.00 H new ATOM 0 HB VAL A 63 5.038 7.951 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.249 5.684 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.320 6.929 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.614 6.121 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.176 6.159 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.566 6.612 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.926 7.751 -2.341 1.00 0.00 H new ATOM 944 N SER A 64 4.536 10.626 -1.158 1.00 0.00 N ATOM 945 CA SER A 64 4.799 11.802 -1.978 1.00 0.00 C ATOM 946 C SER A 64 6.283 12.004 -2.253 1.00 0.00 C ATOM 947 O SER A 64 7.123 11.213 -1.817 1.00 0.00 O ATOM 948 CB SER A 64 4.198 13.039 -1.299 1.00 0.00 C ATOM 949 OG SER A 64 4.262 14.183 -2.137 1.00 0.00 O ATOM 0 H SER A 64 5.072 10.567 -0.292 1.00 0.00 H new ATOM 0 HA SER A 64 4.326 11.646 -2.948 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.160 12.840 -1.034 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.731 13.239 -0.370 1.00 0.00 H new ATOM 0 HG SER A 64 3.869 14.951 -1.673 1.00 0.00 H new ATOM 955 N SER A 65 6.577 13.057 -3.018 1.00 0.00 N ATOM 956 CA SER A 65 7.940 13.454 -3.321 1.00 0.00 C ATOM 957 C SER A 65 8.711 13.588 -2.022 1.00 0.00 C ATOM 958 O SER A 65 8.316 14.347 -1.131 1.00 0.00 O ATOM 959 CB SER A 65 7.943 14.777 -4.093 1.00 0.00 C ATOM 960 OG SER A 65 9.246 15.133 -4.520 1.00 0.00 O ATOM 0 H SER A 65 5.869 13.656 -3.443 1.00 0.00 H new ATOM 0 HA SER A 65 8.417 12.699 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.286 14.694 -4.959 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.539 15.568 -3.461 1.00 0.00 H new ATOM 0 HG SER A 65 9.209 15.981 -5.010 1.00 0.00 H new ATOM 966 N ARG A 66 9.796 12.838 -1.914 1.00 0.00 N ATOM 967 CA ARG A 66 10.483 12.672 -0.657 1.00 0.00 C ATOM 968 C ARG A 66 11.085 13.970 -0.152 1.00 0.00 C ATOM 969 O ARG A 66 11.216 14.942 -0.896 1.00 0.00 O ATOM 970 CB ARG A 66 11.584 11.633 -0.785 1.00 0.00 C ATOM 971 CG ARG A 66 12.884 12.169 -1.363 1.00 0.00 C ATOM 972 CD ARG A 66 12.897 12.136 -2.881 1.00 0.00 C ATOM 973 NE ARG A 66 14.215 12.463 -3.423 1.00 0.00 N ATOM 974 CZ ARG A 66 14.656 12.038 -4.605 1.00 0.00 C ATOM 975 NH1 ARG A 66 13.871 11.320 -5.395 1.00 0.00 N ATOM 976 NH2 ARG A 66 15.880 12.349 -5.002 1.00 0.00 N ATOM 0 H ARG A 66 10.218 12.333 -2.693 1.00 0.00 H new ATOM 0 HA ARG A 66 9.736 12.340 0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.785 11.210 0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.228 10.819 -1.416 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.035 13.193 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.718 11.580 -0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.599 11.146 -3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.161 12.842 -3.266 1.00 0.00 H new ATOM 0 HE ARG A 66 14.832 13.051 -2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.923 11.090 -5.099 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.215 10.998 -6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.483 12.913 -4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.220 12.025 -5.907 1.00 0.00 H new ATOM 990 N GLY A 67 11.431 13.960 1.134 1.00 0.00 N ATOM 991 CA GLY A 67 12.203 15.032 1.715 1.00 0.00 C ATOM 992 C GLY A 67 13.383 15.380 0.833 1.00 0.00 C ATOM 993 O GLY A 67 13.440 16.454 0.244 1.00 0.00 O ATOM 0 H GLY A 67 11.184 13.216 1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.572 15.910 1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.556 14.739 2.704 1.00 0.00 H new ATOM 997 N ALA A 68 14.314 14.448 0.745 1.00 0.00 N ATOM 998 CA ALA A 68 15.391 14.496 -0.238 1.00 0.00 C ATOM 999 C ALA A 68 15.988 13.106 -0.406 1.00 0.00 C ATOM 1000 O ALA A 68 16.653 12.805 -1.391 1.00 0.00 O ATOM 1001 CB ALA A 68 16.465 15.489 0.182 1.00 0.00 C ATOM 0 H ALA A 68 14.348 13.631 1.354 1.00 0.00 H new ATOM 0 HA ALA A 68 14.982 14.830 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.257 15.507 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.027 16.483 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.882 15.189 1.144 1.00 0.00 H new ATOM 1007 N LEU A 69 15.688 12.256 0.565 1.00 0.00 N ATOM 1008 CA LEU A 69 16.316 10.944 0.698 1.00 0.00 C ATOM 1009 C LEU A 69 15.495 9.865 0.015 1.00 0.00 C ATOM 1010 O LEU A 69 16.021 8.952 -0.611 1.00 0.00 O ATOM 1011 CB LEU A 69 16.427 10.577 2.174 1.00 0.00 C ATOM 1012 CG LEU A 69 17.296 11.494 3.054 1.00 0.00 C ATOM 1013 CD1 LEU A 69 18.617 11.817 2.373 1.00 0.00 C ATOM 1014 CD2 LEU A 69 16.553 12.770 3.427 1.00 0.00 C ATOM 0 H LEU A 69 14.998 12.456 1.289 1.00 0.00 H new ATOM 0 HA LEU A 69 17.299 11.002 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.422 10.555 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 69 16.824 9.564 2.243 1.00 0.00 H new ATOM 0 HG LEU A 69 17.514 10.953 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 69 19.210 12.466 3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.165 10.894 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.424 12.323 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.194 13.396 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.284 13.313 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.648 12.516 3.979 1.00 0.00 H new ATOM 1026 N GLY A 70 14.192 10.000 0.161 1.00 0.00 N ATOM 1027 CA GLY A 70 13.273 8.931 -0.173 1.00 0.00 C ATOM 1028 C GLY A 70 12.107 8.874 0.790 1.00 0.00 C ATOM 1029 O GLY A 70 11.158 8.122 0.584 1.00 0.00 O ATOM 0 H GLY A 70 13.743 10.846 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.901 9.075 -1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.803 7.978 -0.160 1.00 0.00 H new ATOM 1033 N THR A 71 12.154 9.713 1.823 1.00 0.00 N ATOM 1034 CA THR A 71 11.195 9.640 2.888 1.00 0.00 C ATOM 1035 C THR A 71 10.067 10.616 2.746 1.00 0.00 C ATOM 1036 O THR A 71 10.227 11.756 3.172 1.00 0.00 O ATOM 1037 CB THR A 71 11.820 9.929 4.259 1.00 0.00 C ATOM 1038 OG1 THR A 71 12.893 9.016 4.541 1.00 0.00 O ATOM 1039 CG2 THR A 71 10.729 9.840 5.318 1.00 0.00 C ATOM 0 H THR A 71 12.853 10.448 1.932 1.00 0.00 H new ATOM 0 HA THR A 71 10.824 8.617 2.823 1.00 0.00 H new ATOM 0 HB THR A 71 12.248 10.931 4.261 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.276 9.222 5.419 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.157 10.043 6.300 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.952 10.573 5.102 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.296 8.840 5.311 1.00 0.00 H new ATOM 1047 N VAL A 72 8.959 10.202 2.128 1.00 0.00 N ATOM 1048 CA VAL A 72 7.689 10.853 2.383 1.00 0.00 C ATOM 1049 C VAL A 72 6.515 9.909 2.193 1.00 0.00 C ATOM 1050 O VAL A 72 6.057 9.682 1.074 1.00 0.00 O ATOM 1051 CB VAL A 72 7.426 12.104 1.525 1.00 0.00 C ATOM 1052 CG1 VAL A 72 6.076 12.659 1.865 1.00 0.00 C ATOM 1053 CG2 VAL A 72 8.463 13.167 1.754 1.00 0.00 C ATOM 0 H VAL A 72 8.922 9.432 1.460 1.00 0.00 H new ATOM 0 HA VAL A 72 7.771 11.166 3.424 1.00 0.00 H new ATOM 0 HB VAL A 72 7.471 11.807 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.884 13.545 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.312 11.908 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.048 12.927 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.241 14.033 1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.454 13.464 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.447 12.777 1.496 1.00 0.00 H new ATOM 1063 N VAL A 73 6.054 9.342 3.286 1.00 0.00 N ATOM 1064 CA VAL A 73 4.717 8.796 3.343 1.00 0.00 C ATOM 1065 C VAL A 73 3.780 9.904 3.790 1.00 0.00 C ATOM 1066 O VAL A 73 4.085 10.621 4.739 1.00 0.00 O ATOM 1067 CB VAL A 73 4.607 7.621 4.333 1.00 0.00 C ATOM 1068 CG1 VAL A 73 3.160 7.210 4.538 1.00 0.00 C ATOM 1069 CG2 VAL A 73 5.428 6.437 3.863 1.00 0.00 C ATOM 0 H VAL A 73 6.588 9.247 4.150 1.00 0.00 H new ATOM 0 HA VAL A 73 4.457 8.417 2.355 1.00 0.00 H new ATOM 0 HB VAL A 73 5.005 7.959 5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.114 6.379 5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.595 8.053 4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.731 6.902 3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.333 5.621 4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.067 6.108 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.475 6.729 3.782 1.00 0.00 H new ATOM 1079 N GLU A 74 2.695 10.090 3.072 1.00 0.00 N ATOM 1080 CA GLU A 74 1.673 11.046 3.459 1.00 0.00 C ATOM 1081 C GLU A 74 0.314 10.402 3.342 1.00 0.00 C ATOM 1082 O GLU A 74 0.180 9.318 2.788 1.00 0.00 O ATOM 1083 CB GLU A 74 1.713 12.327 2.623 1.00 0.00 C ATOM 1084 CG GLU A 74 2.960 13.165 2.849 1.00 0.00 C ATOM 1085 CD GLU A 74 2.855 14.561 2.263 1.00 0.00 C ATOM 1086 OE1 GLU A 74 2.920 14.701 1.028 1.00 0.00 O ATOM 1087 OE2 GLU A 74 2.709 15.528 3.043 1.00 0.00 O ATOM 0 H GLU A 74 2.494 9.588 2.207 1.00 0.00 H new ATOM 0 HA GLU A 74 1.871 11.334 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.650 12.063 1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.834 12.929 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.150 13.240 3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.817 12.656 2.408 1.00 0.00 H new ATOM 1094 N LYS A 75 -0.680 11.015 3.930 1.00 0.00 N ATOM 1095 CA LYS A 75 -2.042 10.644 3.634 1.00 0.00 C ATOM 1096 C LYS A 75 -2.478 11.411 2.377 1.00 0.00 C ATOM 1097 O LYS A 75 -3.548 12.018 2.335 1.00 0.00 O ATOM 1098 CB LYS A 75 -2.923 10.964 4.840 1.00 0.00 C ATOM 1099 CG LYS A 75 -4.333 10.418 4.742 1.00 0.00 C ATOM 1100 CD LYS A 75 -5.052 10.540 6.068 1.00 0.00 C ATOM 1101 CE LYS A 75 -6.524 10.228 5.926 1.00 0.00 C ATOM 1102 NZ LYS A 75 -7.229 11.268 5.134 1.00 0.00 N ATOM 0 H LYS A 75 -0.576 11.767 4.611 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.134 9.576 3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.451 10.562 5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.972 12.046 4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.884 10.960 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.302 9.373 4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.602 9.860 6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.928 11.550 6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.646 9.258 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.978 10.153 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.253 11.201 5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.891 12.210 5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.037 11.123 4.122 1.00 0.00 H new ATOM 1116 N ASN A 76 -1.633 11.362 1.337 1.00 0.00 N ATOM 1117 CA ASN A 76 -1.816 12.197 0.152 1.00 0.00 C ATOM 1118 C ASN A 76 -2.015 11.379 -1.108 1.00 0.00 C ATOM 1119 O ASN A 76 -1.051 11.013 -1.775 1.00 0.00 O ATOM 1120 CB ASN A 76 -0.609 13.104 -0.072 1.00 0.00 C ATOM 1121 CG ASN A 76 -0.729 14.443 0.625 1.00 0.00 C ATOM 1122 OD1 ASN A 76 -1.371 14.564 1.666 1.00 0.00 O ATOM 1123 ND2 ASN A 76 -0.109 15.462 0.054 1.00 0.00 N ATOM 0 H ASN A 76 -0.817 10.751 1.297 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.712 12.787 0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.289 12.597 0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.481 13.269 -1.142 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.154 16.389 0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.414 15.321 -0.810 1.00 0.00 H new ATOM 1130 N PRO A 77 -3.261 11.082 -1.460 1.00 0.00 N ATOM 1131 CA PRO A 77 -3.569 10.472 -2.737 1.00 0.00 C ATOM 1132 C PRO A 77 -3.510 11.528 -3.831 1.00 0.00 C ATOM 1133 O PRO A 77 -4.285 12.486 -3.812 1.00 0.00 O ATOM 1134 CB PRO A 77 -5.002 9.944 -2.557 1.00 0.00 C ATOM 1135 CG PRO A 77 -5.381 10.235 -1.135 1.00 0.00 C ATOM 1136 CD PRO A 77 -4.456 11.317 -0.659 1.00 0.00 C ATOM 0 HA PRO A 77 -2.873 9.683 -3.023 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.687 10.433 -3.250 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.051 8.875 -2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.420 10.557 -1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.284 9.342 -0.517 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.871 12.310 -0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.252 11.236 0.409 1.00 0.00 H new ATOM 1144 N ILE A 78 -2.580 11.384 -4.768 1.00 0.00 N ATOM 1145 CA ILE A 78 -2.424 12.397 -5.801 1.00 0.00 C ATOM 1146 C ILE A 78 -3.597 12.351 -6.750 1.00 0.00 C ATOM 1147 O ILE A 78 -3.613 11.513 -7.656 1.00 0.00 O ATOM 1148 CB ILE A 78 -1.160 12.174 -6.646 1.00 0.00 C ATOM 1149 CG1 ILE A 78 0.056 11.909 -5.775 1.00 0.00 C ATOM 1150 CG2 ILE A 78 -0.909 13.373 -7.548 1.00 0.00 C ATOM 1151 CD1 ILE A 78 1.198 11.337 -6.570 1.00 0.00 C ATOM 0 H ILE A 78 -1.937 10.595 -4.833 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.356 13.355 -5.286 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.326 11.291 -7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.373 12.838 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.213 11.218 -4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.010 13.201 -8.141 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.761 13.513 -8.213 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.775 14.266 -6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.048 11.162 -5.911 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.890 10.395 -7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.484 12.040 -7.353 1.00 0.00 H new ATOM 1163 N VAL A 79 -4.543 13.275 -6.550 1.00 0.00 N ATOM 1164 CA VAL A 79 -5.733 13.413 -7.402 1.00 0.00 C ATOM 1165 C VAL A 79 -6.209 12.050 -7.921 1.00 0.00 C ATOM 1166 O VAL A 79 -6.554 11.895 -9.095 1.00 0.00 O ATOM 1167 CB VAL A 79 -5.445 14.359 -8.594 1.00 0.00 C ATOM 1168 CG1 VAL A 79 -6.738 14.808 -9.263 1.00 0.00 C ATOM 1169 CG2 VAL A 79 -4.635 15.566 -8.140 1.00 0.00 C ATOM 0 H VAL A 79 -4.506 13.953 -5.789 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.526 13.843 -6.790 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.859 13.804 -9.327 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.505 15.471 -10.096 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.278 13.936 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.357 15.338 -8.539 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.444 16.217 -8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.194 16.115 -7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.687 15.231 -7.720 1.00 0.00 H new