USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 519 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 1 MET CE :methyl -146:sc= -0.191 (180deg=-1.13) USER MOD Single : A 1 MET N :NH3+ 162:sc= -0.988 (180deg=-1.73!) USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.114) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -51:sc= 0.113 USER MOD Single : A 17 TYR OH : rot -139:sc= 0.42 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 84:sc= 1.27 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0721 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0684 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -131:sc= -0.0617! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.381 K(o=-0.38,f=-3.2!) USER MOD Single : A 52 GLN : amide:sc= -6! K(o=-6!,f=-1.6) USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.301) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0182) USER MOD Single : A 66 ASN : amide:sc= -0.362 K(o=-0.36,f=-2.7!) USER MOD Single : A 67 GLN : amide:sc= -0.179 K(o=-0.18,f=-2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.781 -5.850 -0.545 1.00 0.00 N ATOM 2 CA MET A 1 -17.582 -6.919 0.118 1.00 0.00 C ATOM 3 C MET A 1 -17.368 -6.879 1.635 1.00 0.00 C ATOM 4 O MET A 1 -16.300 -6.551 2.112 1.00 0.00 O ATOM 5 CB MET A 1 -17.054 -8.230 -0.467 1.00 0.00 C ATOM 6 CG MET A 1 -17.861 -9.402 0.093 1.00 0.00 C ATOM 7 SD MET A 1 -18.147 -10.620 -1.216 1.00 0.00 S ATOM 8 CE MET A 1 -19.248 -9.608 -2.237 1.00 0.00 C ATOM 0 H1 MET A 1 -16.685 -6.066 -1.558 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.261 -4.935 -0.430 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.837 -5.803 -0.110 1.00 0.00 H new ATOM 0 HA MET A 1 -18.652 -6.799 -0.052 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.128 -8.211 -1.554 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.999 -8.351 -0.221 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.325 -9.863 0.922 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.813 -9.046 0.487 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.992 -10.247 -2.713 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.750 -8.871 -1.610 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.666 -9.096 -3.003 1.00 0.00 H new ATOM 20 N GLU A 2 -18.377 -7.207 2.397 1.00 0.00 N ATOM 21 CA GLU A 2 -18.233 -7.184 3.882 1.00 0.00 C ATOM 22 C GLU A 2 -17.720 -8.538 4.389 1.00 0.00 C ATOM 23 O GLU A 2 -17.815 -9.540 3.710 1.00 0.00 O ATOM 24 CB GLU A 2 -19.641 -6.909 4.410 1.00 0.00 C ATOM 25 CG GLU A 2 -20.589 -8.015 3.940 1.00 0.00 C ATOM 26 CD GLU A 2 -21.086 -8.809 5.149 1.00 0.00 C ATOM 27 OE1 GLU A 2 -21.833 -8.249 5.934 1.00 0.00 O ATOM 28 OE2 GLU A 2 -20.711 -9.964 5.268 1.00 0.00 O ATOM 0 H GLU A 2 -19.295 -7.490 2.055 1.00 0.00 H new ATOM 0 HA GLU A 2 -17.518 -6.432 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -19.630 -6.864 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -19.991 -5.940 4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -21.433 -7.581 3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -20.075 -8.677 3.243 1.00 0.00 H new ATOM 35 N ILE A 3 -17.177 -8.572 5.577 1.00 0.00 N ATOM 36 CA ILE A 3 -16.658 -9.863 6.125 1.00 0.00 C ATOM 37 C ILE A 3 -17.060 -10.014 7.596 1.00 0.00 C ATOM 38 O ILE A 3 -17.507 -9.076 8.226 1.00 0.00 O ATOM 39 CB ILE A 3 -15.137 -9.774 5.996 1.00 0.00 C ATOM 40 CG1 ILE A 3 -14.758 -9.411 4.557 1.00 0.00 C ATOM 41 CG2 ILE A 3 -14.516 -11.125 6.357 1.00 0.00 C ATOM 42 CD1 ILE A 3 -14.541 -7.900 4.453 1.00 0.00 C ATOM 0 H ILE A 3 -17.070 -7.765 6.191 1.00 0.00 H new ATOM 0 HA ILE A 3 -17.061 -10.724 5.592 1.00 0.00 H new ATOM 0 HB ILE A 3 -14.764 -9.005 6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -13.852 -9.940 4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -15.546 -9.724 3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -13.432 -11.063 6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -14.779 -11.384 7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -14.894 -11.892 5.681 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -14.271 -7.641 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -15.459 -7.381 4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.738 -7.601 5.127 1.00 0.00 H new ATOM 54 N ASP A 4 -16.901 -11.192 8.151 1.00 0.00 N ATOM 55 CA ASP A 4 -17.272 -11.419 9.592 1.00 0.00 C ATOM 56 C ASP A 4 -17.189 -12.909 9.950 1.00 0.00 C ATOM 57 O ASP A 4 -16.988 -13.271 11.093 1.00 0.00 O ATOM 58 CB ASP A 4 -18.722 -10.935 9.740 1.00 0.00 C ATOM 59 CG ASP A 4 -18.795 -9.864 10.829 1.00 0.00 C ATOM 60 OD1 ASP A 4 -18.838 -10.231 11.991 1.00 0.00 O ATOM 61 OD2 ASP A 4 -18.809 -8.694 10.482 1.00 0.00 O ATOM 0 H ASP A 4 -16.529 -12.011 7.670 1.00 0.00 H new ATOM 0 HA ASP A 4 -16.592 -10.885 10.256 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -19.080 -10.531 8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -19.372 -11.772 9.995 1.00 0.00 H new ATOM 66 N GLU A 5 -17.357 -13.773 8.988 1.00 0.00 N ATOM 67 CA GLU A 5 -17.306 -15.238 9.275 1.00 0.00 C ATOM 68 C GLU A 5 -15.876 -15.686 9.597 1.00 0.00 C ATOM 69 O GLU A 5 -15.286 -16.473 8.885 1.00 0.00 O ATOM 70 CB GLU A 5 -17.804 -15.906 7.993 1.00 0.00 C ATOM 71 CG GLU A 5 -18.972 -16.837 8.324 1.00 0.00 C ATOM 72 CD GLU A 5 -20.066 -16.677 7.266 1.00 0.00 C ATOM 73 OE1 GLU A 5 -19.927 -17.262 6.205 1.00 0.00 O ATOM 74 OE2 GLU A 5 -21.024 -15.970 7.536 1.00 0.00 O ATOM 0 H GLU A 5 -17.528 -13.529 8.012 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.911 -15.504 10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -18.120 -15.149 7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.996 -16.470 7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.629 -17.871 8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.369 -16.603 9.312 1.00 0.00 H new ATOM 81 N GLY A 6 -15.318 -15.194 10.669 1.00 0.00 N ATOM 82 CA GLY A 6 -13.929 -15.595 11.047 1.00 0.00 C ATOM 83 C GLY A 6 -12.990 -15.470 9.845 1.00 0.00 C ATOM 84 O GLY A 6 -11.964 -16.118 9.783 1.00 0.00 O ATOM 0 H GLY A 6 -15.764 -14.530 11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -13.572 -14.966 11.862 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -13.927 -16.622 11.412 1.00 0.00 H new ATOM 88 N LYS A 7 -13.318 -14.639 8.891 1.00 0.00 N ATOM 89 CA LYS A 7 -12.417 -14.484 7.713 1.00 0.00 C ATOM 90 C LYS A 7 -11.236 -13.589 8.095 1.00 0.00 C ATOM 91 O LYS A 7 -11.398 -12.413 8.352 1.00 0.00 O ATOM 92 CB LYS A 7 -13.269 -13.824 6.631 1.00 0.00 C ATOM 93 CG LYS A 7 -13.417 -14.783 5.448 1.00 0.00 C ATOM 94 CD LYS A 7 -14.839 -14.694 4.892 1.00 0.00 C ATOM 95 CE LYS A 7 -15.705 -15.779 5.534 1.00 0.00 C ATOM 96 NZ LYS A 7 -15.499 -16.985 4.684 1.00 0.00 N ATOM 0 H LYS A 7 -14.162 -14.067 8.876 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.011 -15.435 7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.250 -13.567 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.805 -12.894 6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.695 -14.532 4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.203 -15.804 5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.260 -13.709 5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.826 -14.817 3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.405 -15.966 6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.755 -15.486 5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.172 -17.727 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.654 -16.737 3.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.527 -17.335 4.807 1.00 0.00 H new ATOM 110 N TYR A 8 -10.053 -14.136 8.149 1.00 0.00 N ATOM 111 CA TYR A 8 -8.874 -13.310 8.534 1.00 0.00 C ATOM 112 C TYR A 8 -8.152 -12.790 7.288 1.00 0.00 C ATOM 113 O TYR A 8 -7.905 -13.521 6.350 1.00 0.00 O ATOM 114 CB TYR A 8 -7.968 -14.254 9.329 1.00 0.00 C ATOM 115 CG TYR A 8 -8.411 -14.298 10.777 1.00 0.00 C ATOM 116 CD1 TYR A 8 -9.761 -14.497 11.096 1.00 0.00 C ATOM 117 CD2 TYR A 8 -7.467 -14.147 11.801 1.00 0.00 C ATOM 118 CE1 TYR A 8 -10.167 -14.543 12.434 1.00 0.00 C ATOM 119 CE2 TYR A 8 -7.872 -14.195 13.140 1.00 0.00 C ATOM 120 CZ TYR A 8 -9.222 -14.392 13.458 1.00 0.00 C ATOM 121 OH TYR A 8 -9.621 -14.439 14.778 1.00 0.00 O ATOM 0 H TYR A 8 -9.852 -15.115 7.944 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.161 -12.434 9.116 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.004 -15.255 8.898 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.933 -13.917 9.267 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.489 -14.615 10.307 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.426 -13.993 11.557 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.208 -14.695 12.678 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.143 -14.080 13.929 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.842 -14.318 15.360 1.00 0.00 H new ATOM 131 N GLU A 9 -7.813 -11.529 7.276 1.00 0.00 N ATOM 132 CA GLU A 9 -7.106 -10.954 6.096 1.00 0.00 C ATOM 133 C GLU A 9 -5.607 -10.820 6.388 1.00 0.00 C ATOM 134 O GLU A 9 -5.210 -10.315 7.419 1.00 0.00 O ATOM 135 CB GLU A 9 -7.740 -9.576 5.890 1.00 0.00 C ATOM 136 CG GLU A 9 -7.004 -8.835 4.772 1.00 0.00 C ATOM 137 CD GLU A 9 -7.984 -7.922 4.032 1.00 0.00 C ATOM 138 OE1 GLU A 9 -8.786 -7.285 4.693 1.00 0.00 O ATOM 139 OE2 GLU A 9 -7.913 -7.875 2.814 1.00 0.00 O ATOM 0 H GLU A 9 -7.996 -10.871 8.034 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.199 -11.583 5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.794 -9.684 5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.692 -9.001 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.186 -8.247 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.561 -9.549 4.078 1.00 0.00 H new ATOM 146 N CYS A 10 -4.772 -11.265 5.487 1.00 0.00 N ATOM 147 CA CYS A 10 -3.300 -11.159 5.713 1.00 0.00 C ATOM 148 C CYS A 10 -2.842 -9.717 5.526 1.00 0.00 C ATOM 149 O CYS A 10 -2.968 -9.153 4.456 1.00 0.00 O ATOM 150 CB CYS A 10 -2.664 -12.035 4.636 1.00 0.00 C ATOM 151 SG CYS A 10 -0.968 -12.463 5.098 1.00 0.00 S ATOM 0 H CYS A 10 -5.045 -11.697 4.604 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.023 -11.469 6.721 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.252 -12.943 4.502 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.667 -11.509 3.681 1.00 0.00 H new ATOM 156 N GLU A 11 -2.290 -9.118 6.540 1.00 0.00 N ATOM 157 CA GLU A 11 -1.807 -7.720 6.386 1.00 0.00 C ATOM 158 C GLU A 11 -0.514 -7.709 5.563 1.00 0.00 C ATOM 159 O GLU A 11 -0.041 -6.671 5.142 1.00 0.00 O ATOM 160 CB GLU A 11 -1.539 -7.236 7.808 1.00 0.00 C ATOM 161 CG GLU A 11 -2.466 -6.064 8.131 1.00 0.00 C ATOM 162 CD GLU A 11 -1.762 -5.110 9.097 1.00 0.00 C ATOM 163 OE1 GLU A 11 -0.642 -4.723 8.808 1.00 0.00 O ATOM 164 OE2 GLU A 11 -2.357 -4.780 10.111 1.00 0.00 O ATOM 0 H GLU A 11 -2.153 -9.531 7.462 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.525 -7.083 5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.702 -8.048 8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.498 -6.929 7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.737 -5.538 7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.392 -6.430 8.574 1.00 0.00 H new ATOM 171 N ALA A 12 0.071 -8.860 5.344 1.00 0.00 N ATOM 172 CA ALA A 12 1.339 -8.920 4.565 1.00 0.00 C ATOM 173 C ALA A 12 1.075 -8.971 3.055 1.00 0.00 C ATOM 174 O ALA A 12 1.810 -8.393 2.280 1.00 0.00 O ATOM 175 CB ALA A 12 2.022 -10.208 5.029 1.00 0.00 C ATOM 0 H ALA A 12 -0.278 -9.760 5.673 1.00 0.00 H new ATOM 0 HA ALA A 12 1.951 -8.034 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.968 -10.329 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.209 -10.155 6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.376 -11.060 4.815 1.00 0.00 H new ATOM 181 N CYS A 13 0.056 -9.669 2.617 1.00 0.00 N ATOM 182 CA CYS A 13 -0.189 -9.742 1.146 1.00 0.00 C ATOM 183 C CYS A 13 -1.627 -9.334 0.790 1.00 0.00 C ATOM 184 O CYS A 13 -1.870 -8.735 -0.239 1.00 0.00 O ATOM 185 CB CYS A 13 0.120 -11.203 0.770 1.00 0.00 C ATOM 186 SG CYS A 13 -1.227 -12.313 1.266 1.00 0.00 S ATOM 0 H CYS A 13 -0.604 -10.181 3.202 1.00 0.00 H new ATOM 0 HA CYS A 13 0.437 -9.046 0.587 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.278 -11.278 -0.306 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.047 -11.516 1.251 1.00 0.00 H new ATOM 191 N GLY A 14 -2.579 -9.641 1.626 1.00 0.00 N ATOM 192 CA GLY A 14 -3.989 -9.255 1.319 1.00 0.00 C ATOM 193 C GLY A 14 -4.830 -10.513 1.085 1.00 0.00 C ATOM 194 O GLY A 14 -5.866 -10.471 0.452 1.00 0.00 O ATOM 0 H GLY A 14 -2.445 -10.140 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.405 -8.676 2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.017 -8.617 0.435 1.00 0.00 H new ATOM 198 N TYR A 15 -4.394 -11.627 1.598 1.00 0.00 N ATOM 199 CA TYR A 15 -5.161 -12.892 1.418 1.00 0.00 C ATOM 200 C TYR A 15 -6.253 -12.992 2.487 1.00 0.00 C ATOM 201 O TYR A 15 -6.185 -12.350 3.513 1.00 0.00 O ATOM 202 CB TYR A 15 -4.122 -14.003 1.594 1.00 0.00 C ATOM 203 CG TYR A 15 -4.802 -15.351 1.581 1.00 0.00 C ATOM 204 CD1 TYR A 15 -5.261 -15.912 2.779 1.00 0.00 C ATOM 205 CD2 TYR A 15 -4.972 -16.041 0.375 1.00 0.00 C ATOM 206 CE1 TYR A 15 -5.887 -17.163 2.772 1.00 0.00 C ATOM 207 CE2 TYR A 15 -5.600 -17.293 0.367 1.00 0.00 C ATOM 208 CZ TYR A 15 -6.058 -17.854 1.566 1.00 0.00 C ATOM 209 OH TYR A 15 -6.674 -19.089 1.559 1.00 0.00 O ATOM 0 H TYR A 15 -3.534 -11.718 2.138 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.659 -12.952 0.450 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.383 -13.951 0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.586 -13.866 2.533 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.132 -15.379 3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.619 -15.608 -0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.238 -17.596 3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.731 -17.826 -0.563 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.252 -19.669 2.227 1.00 0.00 H new ATOM 219 N ILE A 16 -7.261 -13.786 2.252 1.00 0.00 N ATOM 220 CA ILE A 16 -8.353 -13.913 3.258 1.00 0.00 C ATOM 221 C ILE A 16 -8.536 -15.373 3.674 1.00 0.00 C ATOM 222 O ILE A 16 -8.983 -16.199 2.904 1.00 0.00 O ATOM 223 CB ILE A 16 -9.601 -13.398 2.546 1.00 0.00 C ATOM 224 CG1 ILE A 16 -9.409 -11.919 2.200 1.00 0.00 C ATOM 225 CG2 ILE A 16 -10.820 -13.565 3.458 1.00 0.00 C ATOM 226 CD1 ILE A 16 -9.297 -11.094 3.486 1.00 0.00 C ATOM 0 H ILE A 16 -7.376 -14.350 1.410 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.139 -13.355 4.170 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.762 -13.967 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.511 -11.791 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.248 -11.564 1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.710 -13.197 2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.951 -14.620 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.668 -12.998 4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.161 -10.043 3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.208 -11.211 4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.443 -11.441 4.068 1.00 0.00 H new ATOM 238 N TYR A 17 -8.195 -15.693 4.891 1.00 0.00 N ATOM 239 CA TYR A 17 -8.350 -17.099 5.364 1.00 0.00 C ATOM 240 C TYR A 17 -9.825 -17.400 5.653 1.00 0.00 C ATOM 241 O TYR A 17 -10.498 -16.661 6.345 1.00 0.00 O ATOM 242 CB TYR A 17 -7.516 -17.182 6.650 1.00 0.00 C ATOM 243 CG TYR A 17 -7.779 -18.498 7.352 1.00 0.00 C ATOM 244 CD1 TYR A 17 -7.358 -19.699 6.769 1.00 0.00 C ATOM 245 CD2 TYR A 17 -8.452 -18.514 8.581 1.00 0.00 C ATOM 246 CE1 TYR A 17 -7.608 -20.917 7.414 1.00 0.00 C ATOM 247 CE2 TYR A 17 -8.702 -19.733 9.226 1.00 0.00 C ATOM 248 CZ TYR A 17 -8.280 -20.933 8.643 1.00 0.00 C ATOM 249 OH TYR A 17 -8.526 -22.134 9.278 1.00 0.00 O ATOM 0 H TYR A 17 -7.816 -15.043 5.579 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.020 -17.825 4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.456 -17.092 6.413 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.766 -16.352 7.310 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.840 -19.686 5.821 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.778 -17.588 9.031 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.283 -21.843 6.964 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.221 -19.746 10.173 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.426 -22.120 9.666 1.00 0.00 H new ATOM 259 N GLU A 18 -10.323 -18.489 5.137 1.00 0.00 N ATOM 260 CA GLU A 18 -11.744 -18.855 5.390 1.00 0.00 C ATOM 261 C GLU A 18 -11.799 -20.058 6.339 1.00 0.00 C ATOM 262 O GLU A 18 -11.381 -21.140 5.979 1.00 0.00 O ATOM 263 CB GLU A 18 -12.306 -19.228 4.018 1.00 0.00 C ATOM 264 CG GLU A 18 -12.243 -18.011 3.093 1.00 0.00 C ATOM 265 CD GLU A 18 -11.956 -18.472 1.663 1.00 0.00 C ATOM 266 OE1 GLU A 18 -10.790 -18.591 1.323 1.00 0.00 O ATOM 267 OE2 GLU A 18 -12.906 -18.698 0.932 1.00 0.00 O ATOM 0 H GLU A 18 -9.806 -19.143 4.549 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.312 -18.048 5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.735 -20.053 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.336 -19.571 4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.186 -17.465 3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.465 -17.326 3.429 1.00 0.00 H new ATOM 274 N PRO A 19 -12.305 -19.837 7.528 1.00 0.00 N ATOM 275 CA PRO A 19 -12.391 -20.935 8.520 1.00 0.00 C ATOM 276 C PRO A 19 -13.472 -21.940 8.130 1.00 0.00 C ATOM 277 O PRO A 19 -13.195 -23.092 7.858 1.00 0.00 O ATOM 278 CB PRO A 19 -12.744 -20.218 9.819 1.00 0.00 C ATOM 279 CG PRO A 19 -13.391 -18.932 9.410 1.00 0.00 C ATOM 280 CD PRO A 19 -12.839 -18.570 8.054 1.00 0.00 C ATOM 0 HA PRO A 19 -11.470 -21.513 8.596 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.419 -20.820 10.427 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.853 -20.034 10.419 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.475 -19.042 9.368 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.178 -18.146 10.135 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.615 -18.165 7.404 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.060 -17.812 8.131 1.00 0.00 H new ATOM 288 N GLU A 20 -14.696 -21.511 8.113 1.00 0.00 N ATOM 289 CA GLU A 20 -15.820 -22.429 7.748 1.00 0.00 C ATOM 290 C GLU A 20 -15.474 -23.260 6.503 1.00 0.00 C ATOM 291 O GLU A 20 -15.976 -24.350 6.317 1.00 0.00 O ATOM 292 CB GLU A 20 -17.007 -21.511 7.463 1.00 0.00 C ATOM 293 CG GLU A 20 -18.287 -22.346 7.394 1.00 0.00 C ATOM 294 CD GLU A 20 -19.479 -21.435 7.100 1.00 0.00 C ATOM 295 OE1 GLU A 20 -19.345 -20.572 6.249 1.00 0.00 O ATOM 296 OE2 GLU A 20 -20.508 -21.618 7.731 1.00 0.00 O ATOM 0 H GLU A 20 -14.977 -20.556 8.337 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.031 -23.142 8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.093 -20.756 8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -16.854 -20.981 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.196 -23.105 6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.442 -22.871 8.336 1.00 0.00 H new ATOM 303 N LYS A 21 -14.621 -22.757 5.651 1.00 0.00 N ATOM 304 CA LYS A 21 -14.252 -23.530 4.429 1.00 0.00 C ATOM 305 C LYS A 21 -12.940 -24.287 4.657 1.00 0.00 C ATOM 306 O LYS A 21 -12.720 -25.346 4.104 1.00 0.00 O ATOM 307 CB LYS A 21 -14.088 -22.483 3.325 1.00 0.00 C ATOM 308 CG LYS A 21 -15.407 -22.331 2.561 1.00 0.00 C ATOM 309 CD LYS A 21 -15.431 -20.975 1.850 1.00 0.00 C ATOM 310 CE LYS A 21 -16.185 -21.105 0.524 1.00 0.00 C ATOM 311 NZ LYS A 21 -16.350 -19.704 0.040 1.00 0.00 N ATOM 0 H LYS A 21 -14.166 -21.849 5.747 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.005 -24.274 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.794 -21.527 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.293 -22.782 2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.514 -23.137 1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.249 -22.408 3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.913 -20.230 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.413 -20.630 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.625 -21.707 -0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.150 -21.591 0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.859 -19.708 -0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.892 -19.157 0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.414 -19.269 -0.090 1.00 0.00 H new ATOM 325 N GLY A 22 -12.072 -23.757 5.471 1.00 0.00 N ATOM 326 CA GLY A 22 -10.780 -24.451 5.739 1.00 0.00 C ATOM 327 C GLY A 22 -9.746 -24.056 4.681 1.00 0.00 C ATOM 328 O GLY A 22 -10.082 -23.706 3.567 1.00 0.00 O ATOM 0 H GLY A 22 -12.200 -22.873 5.963 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.415 -24.188 6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.929 -25.531 5.729 1.00 0.00 H new ATOM 332 N ASP A 23 -8.488 -24.117 5.024 1.00 0.00 N ATOM 333 CA ASP A 23 -7.422 -23.756 4.048 1.00 0.00 C ATOM 334 C ASP A 23 -7.082 -24.968 3.181 1.00 0.00 C ATOM 335 O ASP A 23 -5.972 -25.459 3.194 1.00 0.00 O ATOM 336 CB ASP A 23 -6.224 -23.343 4.903 1.00 0.00 C ATOM 337 CG ASP A 23 -5.773 -21.936 4.506 1.00 0.00 C ATOM 338 OD1 ASP A 23 -6.028 -21.548 3.379 1.00 0.00 O ATOM 339 OD2 ASP A 23 -5.180 -21.269 5.339 1.00 0.00 O ATOM 0 H ASP A 23 -8.152 -24.403 5.944 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.726 -22.957 3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.493 -23.366 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.406 -24.050 4.767 1.00 0.00 H new ATOM 344 N LYS A 24 -8.035 -25.456 2.435 1.00 0.00 N ATOM 345 CA LYS A 24 -7.788 -26.647 1.559 1.00 0.00 C ATOM 346 C LYS A 24 -6.458 -26.510 0.810 1.00 0.00 C ATOM 347 O LYS A 24 -5.818 -27.487 0.474 1.00 0.00 O ATOM 348 CB LYS A 24 -8.951 -26.649 0.568 1.00 0.00 C ATOM 349 CG LYS A 24 -9.426 -28.085 0.336 1.00 0.00 C ATOM 350 CD LYS A 24 -9.170 -28.482 -1.121 1.00 0.00 C ATOM 351 CE LYS A 24 -9.769 -29.865 -1.386 1.00 0.00 C ATOM 352 NZ LYS A 24 -10.508 -29.724 -2.673 1.00 0.00 N ATOM 0 H LYS A 24 -8.983 -25.081 2.391 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.727 -27.569 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.771 -26.042 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.639 -26.202 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.901 -28.765 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.488 -28.169 0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.614 -27.747 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.099 -28.493 -1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.991 -30.625 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.436 -30.168 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.947 -30.633 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.246 -28.999 -2.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.846 -29.442 -3.424 1.00 0.00 H new ATOM 366 N PHE A 25 -6.039 -25.304 0.546 1.00 0.00 N ATOM 367 CA PHE A 25 -4.753 -25.102 -0.182 1.00 0.00 C ATOM 368 C PHE A 25 -3.566 -25.277 0.771 1.00 0.00 C ATOM 369 O PHE A 25 -2.468 -25.598 0.358 1.00 0.00 O ATOM 370 CB PHE A 25 -4.816 -23.665 -0.701 1.00 0.00 C ATOM 371 CG PHE A 25 -4.807 -23.677 -2.210 1.00 0.00 C ATOM 372 CD1 PHE A 25 -5.740 -24.452 -2.910 1.00 0.00 C ATOM 373 CD2 PHE A 25 -3.867 -22.912 -2.910 1.00 0.00 C ATOM 374 CE1 PHE A 25 -5.732 -24.462 -4.310 1.00 0.00 C ATOM 375 CE2 PHE A 25 -3.859 -22.921 -4.310 1.00 0.00 C ATOM 376 CZ PHE A 25 -4.791 -23.697 -5.010 1.00 0.00 C ATOM 0 H PHE A 25 -6.531 -24.448 0.803 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.618 -25.824 -0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.718 -23.174 -0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.967 -23.093 -0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.466 -25.042 -2.370 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.147 -22.314 -2.370 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.451 -25.060 -4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.134 -22.330 -4.850 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.784 -23.705 -6.090 1.00 0.00 H new ATOM 386 N ALA A 26 -3.775 -25.070 2.042 1.00 0.00 N ATOM 387 CA ALA A 26 -2.659 -25.225 3.019 1.00 0.00 C ATOM 388 C ALA A 26 -2.720 -26.606 3.677 1.00 0.00 C ATOM 389 O ALA A 26 -1.718 -27.151 4.095 1.00 0.00 O ATOM 390 CB ALA A 26 -2.887 -24.127 4.057 1.00 0.00 C ATOM 0 H ALA A 26 -4.671 -24.800 2.447 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.681 -25.142 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.104 -24.174 4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.861 -23.153 3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.858 -24.270 4.530 1.00 0.00 H new ATOM 396 N GLY A 27 -3.890 -27.175 3.766 1.00 0.00 N ATOM 397 CA GLY A 27 -4.019 -28.522 4.394 1.00 0.00 C ATOM 398 C GLY A 27 -4.941 -28.439 5.616 1.00 0.00 C ATOM 399 O GLY A 27 -4.824 -29.214 6.544 1.00 0.00 O ATOM 0 H GLY A 27 -4.763 -26.767 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.420 -29.233 3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.037 -28.890 4.692 1.00 0.00 H new ATOM 403 N ILE A 28 -5.858 -27.507 5.626 1.00 0.00 N ATOM 404 CA ILE A 28 -6.782 -27.381 6.789 1.00 0.00 C ATOM 405 C ILE A 28 -8.238 -27.558 6.325 1.00 0.00 C ATOM 406 O ILE A 28 -8.681 -26.872 5.426 1.00 0.00 O ATOM 407 CB ILE A 28 -6.542 -25.961 7.316 1.00 0.00 C ATOM 408 CG1 ILE A 28 -5.159 -25.887 7.967 1.00 0.00 C ATOM 409 CG2 ILE A 28 -7.610 -25.600 8.353 1.00 0.00 C ATOM 410 CD1 ILE A 28 -4.489 -24.564 7.596 1.00 0.00 C ATOM 0 H ILE A 28 -6.006 -26.829 4.879 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.605 -28.135 7.556 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.597 -25.258 6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.251 -25.969 9.050 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.544 -26.724 7.635 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.432 -24.590 8.722 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.596 -25.649 7.892 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.563 -26.304 9.184 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.504 -24.512 8.060 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.384 -24.501 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.101 -23.734 7.950 1.00 0.00 H new ATOM 422 N PRO A 29 -8.941 -28.471 6.955 1.00 0.00 N ATOM 423 CA PRO A 29 -10.358 -28.712 6.585 1.00 0.00 C ATOM 424 C PRO A 29 -11.233 -27.538 7.039 1.00 0.00 C ATOM 425 O PRO A 29 -10.763 -26.648 7.719 1.00 0.00 O ATOM 426 CB PRO A 29 -10.718 -29.988 7.342 1.00 0.00 C ATOM 427 CG PRO A 29 -9.769 -30.032 8.498 1.00 0.00 C ATOM 428 CD PRO A 29 -8.502 -29.349 8.051 1.00 0.00 C ATOM 0 HA PRO A 29 -10.511 -28.807 5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.753 -29.967 7.682 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.609 -30.868 6.708 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.194 -29.528 9.366 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.569 -31.062 8.794 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.048 -28.779 8.862 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.758 -30.070 7.712 1.00 0.00 H new ATOM 436 N PRO A 30 -12.484 -27.571 6.648 1.00 0.00 N ATOM 437 CA PRO A 30 -13.423 -26.485 7.026 1.00 0.00 C ATOM 438 C PRO A 30 -13.741 -26.562 8.519 1.00 0.00 C ATOM 439 O PRO A 30 -13.056 -27.217 9.279 1.00 0.00 O ATOM 440 CB PRO A 30 -14.666 -26.777 6.192 1.00 0.00 C ATOM 441 CG PRO A 30 -14.601 -28.242 5.918 1.00 0.00 C ATOM 442 CD PRO A 30 -13.140 -28.602 5.831 1.00 0.00 C ATOM 0 HA PRO A 30 -13.023 -25.487 6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.576 -26.515 6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.667 -26.201 5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.092 -28.806 6.711 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.115 -28.485 4.988 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.949 -29.603 6.219 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.783 -28.586 4.801 1.00 0.00 H new ATOM 450 N GLY A 31 -14.782 -25.899 8.939 1.00 0.00 N ATOM 451 CA GLY A 31 -15.164 -25.923 10.384 1.00 0.00 C ATOM 452 C GLY A 31 -13.932 -25.660 11.258 1.00 0.00 C ATOM 453 O GLY A 31 -13.860 -26.088 12.393 1.00 0.00 O ATOM 0 H GLY A 31 -15.390 -25.338 8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -15.926 -25.169 10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.600 -26.889 10.637 1.00 0.00 H new ATOM 457 N THR A 32 -12.960 -24.962 10.737 1.00 0.00 N ATOM 458 CA THR A 32 -11.733 -24.678 11.535 1.00 0.00 C ATOM 459 C THR A 32 -11.482 -23.163 11.606 1.00 0.00 C ATOM 460 O THR A 32 -11.156 -22.548 10.610 1.00 0.00 O ATOM 461 CB THR A 32 -10.602 -25.372 10.775 1.00 0.00 C ATOM 462 OG1 THR A 32 -10.899 -26.757 10.649 1.00 0.00 O ATOM 463 CG2 THR A 32 -9.288 -25.197 11.537 1.00 0.00 C ATOM 0 H THR A 32 -12.962 -24.576 9.793 1.00 0.00 H new ATOM 0 HA THR A 32 -11.816 -25.033 12.562 1.00 0.00 H new ATOM 0 HB THR A 32 -10.505 -24.929 9.784 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.479 -26.898 9.871 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.483 -25.692 10.994 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.061 -24.135 11.632 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.381 -25.639 12.529 1.00 0.00 H new ATOM 471 N PRO A 33 -11.644 -22.603 12.783 1.00 0.00 N ATOM 472 CA PRO A 33 -11.430 -21.145 12.962 1.00 0.00 C ATOM 473 C PRO A 33 -9.935 -20.809 12.914 1.00 0.00 C ATOM 474 O PRO A 33 -9.098 -21.602 13.294 1.00 0.00 O ATOM 475 CB PRO A 33 -12.005 -20.865 14.347 1.00 0.00 C ATOM 476 CG PRO A 33 -11.925 -22.169 15.073 1.00 0.00 C ATOM 477 CD PRO A 33 -12.038 -23.260 14.039 1.00 0.00 C ATOM 0 HA PRO A 33 -11.899 -20.546 12.181 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.435 -20.092 14.862 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.034 -20.512 14.283 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.984 -22.250 15.617 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.726 -22.250 15.808 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.384 -24.100 14.272 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.053 -23.653 13.983 1.00 0.00 H new ATOM 485 N PHE A 34 -9.597 -19.639 12.444 1.00 0.00 N ATOM 486 CA PHE A 34 -8.158 -19.248 12.364 1.00 0.00 C ATOM 487 C PHE A 34 -7.471 -19.443 13.724 1.00 0.00 C ATOM 488 O PHE A 34 -6.291 -19.722 13.797 1.00 0.00 O ATOM 489 CB PHE A 34 -8.177 -17.765 11.957 1.00 0.00 C ATOM 490 CG PHE A 34 -6.805 -17.154 12.132 1.00 0.00 C ATOM 491 CD1 PHE A 34 -6.398 -16.702 13.395 1.00 0.00 C ATOM 492 CD2 PHE A 34 -5.942 -17.039 11.037 1.00 0.00 C ATOM 493 CE1 PHE A 34 -5.129 -16.136 13.561 1.00 0.00 C ATOM 494 CE2 PHE A 34 -4.672 -16.473 11.203 1.00 0.00 C ATOM 495 CZ PHE A 34 -4.266 -16.022 12.465 1.00 0.00 C ATOM 0 H PHE A 34 -10.256 -18.935 12.111 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.600 -19.856 11.652 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.495 -17.670 10.919 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.903 -17.224 12.563 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.064 -16.791 14.240 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.255 -17.387 10.064 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.816 -15.787 14.534 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.006 -16.384 10.358 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.286 -15.586 12.593 1.00 0.00 H new ATOM 505 N VAL A 35 -8.196 -19.289 14.795 1.00 0.00 N ATOM 506 CA VAL A 35 -7.579 -19.456 16.143 1.00 0.00 C ATOM 507 C VAL A 35 -7.124 -20.904 16.359 1.00 0.00 C ATOM 508 O VAL A 35 -6.334 -21.188 17.237 1.00 0.00 O ATOM 509 CB VAL A 35 -8.691 -19.092 17.126 1.00 0.00 C ATOM 510 CG1 VAL A 35 -9.167 -17.665 16.850 1.00 0.00 C ATOM 511 CG2 VAL A 35 -9.859 -20.065 16.954 1.00 0.00 C ATOM 0 H VAL A 35 -9.189 -19.055 14.798 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.694 -18.833 16.268 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.313 -19.156 18.146 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.960 -17.404 17.551 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.333 -16.973 16.972 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.547 -17.599 15.831 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.653 -19.807 17.654 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.239 -20.001 15.934 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.518 -21.081 17.151 1.00 0.00 H new ATOM 521 N ASP A 36 -7.616 -21.822 15.573 1.00 0.00 N ATOM 522 CA ASP A 36 -7.205 -23.246 15.750 1.00 0.00 C ATOM 523 C ASP A 36 -6.127 -23.635 14.730 1.00 0.00 C ATOM 524 O ASP A 36 -5.658 -24.756 14.713 1.00 0.00 O ATOM 525 CB ASP A 36 -8.478 -24.058 15.519 1.00 0.00 C ATOM 526 CG ASP A 36 -8.391 -25.375 16.292 1.00 0.00 C ATOM 527 OD1 ASP A 36 -8.773 -25.387 17.451 1.00 0.00 O ATOM 528 OD2 ASP A 36 -7.942 -26.351 15.712 1.00 0.00 O ATOM 0 H ASP A 36 -8.281 -21.650 14.819 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.776 -23.424 16.736 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.349 -23.489 15.845 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.607 -24.256 14.455 1.00 0.00 H new ATOM 533 N LEU A 37 -5.724 -22.727 13.881 1.00 0.00 N ATOM 534 CA LEU A 37 -4.677 -23.066 12.875 1.00 0.00 C ATOM 535 C LEU A 37 -3.443 -23.648 13.570 1.00 0.00 C ATOM 536 O LEU A 37 -3.335 -23.633 14.781 1.00 0.00 O ATOM 537 CB LEU A 37 -4.336 -21.737 12.195 1.00 0.00 C ATOM 538 CG LEU A 37 -5.352 -21.446 11.086 1.00 0.00 C ATOM 539 CD1 LEU A 37 -4.978 -20.140 10.382 1.00 0.00 C ATOM 540 CD2 LEU A 37 -5.347 -22.589 10.071 1.00 0.00 C ATOM 0 H LEU A 37 -6.073 -21.769 13.841 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.018 -23.814 12.159 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.343 -20.930 12.928 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.330 -21.779 11.777 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.346 -21.354 11.523 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.700 -19.932 9.593 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.984 -19.323 11.104 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.983 -20.233 9.947 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.071 -22.379 9.283 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.353 -22.684 9.634 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.614 -23.520 10.570 1.00 0.00 H new ATOM 552 N SER A 38 -2.514 -24.166 12.815 1.00 0.00 N ATOM 553 CA SER A 38 -1.289 -24.753 13.431 1.00 0.00 C ATOM 554 C SER A 38 -0.565 -23.706 14.282 1.00 0.00 C ATOM 555 O SER A 38 -0.840 -22.526 14.200 1.00 0.00 O ATOM 556 CB SER A 38 -0.418 -25.180 12.249 1.00 0.00 C ATOM 557 OG SER A 38 -1.232 -25.784 11.254 1.00 0.00 O ATOM 0 H SER A 38 -2.550 -24.209 11.797 1.00 0.00 H new ATOM 0 HA SER A 38 -1.521 -25.589 14.091 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.100 -24.315 11.834 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.348 -25.881 12.582 1.00 0.00 H new ATOM 0 HG SER A 38 -0.674 -26.056 10.496 1.00 0.00 H new ATOM 563 N ASP A 39 0.360 -24.132 15.100 1.00 0.00 N ATOM 564 CA ASP A 39 1.105 -23.165 15.957 1.00 0.00 C ATOM 565 C ASP A 39 1.950 -22.230 15.089 1.00 0.00 C ATOM 566 O ASP A 39 2.310 -21.144 15.499 1.00 0.00 O ATOM 567 CB ASP A 39 2.001 -24.034 16.841 1.00 0.00 C ATOM 568 CG ASP A 39 2.776 -23.145 17.816 1.00 0.00 C ATOM 569 OD1 ASP A 39 3.617 -22.389 17.358 1.00 0.00 O ATOM 570 OD2 ASP A 39 2.516 -23.235 19.004 1.00 0.00 O ATOM 0 H ASP A 39 0.632 -25.109 15.212 1.00 0.00 H new ATOM 0 HA ASP A 39 0.439 -22.534 16.545 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.397 -24.755 17.392 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.694 -24.605 16.224 1.00 0.00 H new ATOM 575 N SER A 40 2.267 -22.641 13.892 1.00 0.00 N ATOM 576 CA SER A 40 3.087 -21.775 12.997 1.00 0.00 C ATOM 577 C SER A 40 2.548 -21.839 11.566 1.00 0.00 C ATOM 578 O SER A 40 3.272 -22.112 10.630 1.00 0.00 O ATOM 579 CB SER A 40 4.499 -22.356 13.067 1.00 0.00 C ATOM 580 OG SER A 40 4.802 -22.707 14.410 1.00 0.00 O ATOM 0 H SER A 40 1.994 -23.540 13.494 1.00 0.00 H new ATOM 0 HA SER A 40 3.064 -20.728 13.299 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.575 -23.234 12.425 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.222 -21.628 12.698 1.00 0.00 H new ATOM 0 HG SER A 40 5.707 -23.081 14.454 1.00 0.00 H new ATOM 586 N PHE A 41 1.280 -21.590 11.393 1.00 0.00 N ATOM 587 CA PHE A 41 0.684 -21.638 10.026 1.00 0.00 C ATOM 588 C PHE A 41 1.282 -20.529 9.148 1.00 0.00 C ATOM 589 O PHE A 41 1.504 -19.420 9.592 1.00 0.00 O ATOM 590 CB PHE A 41 -0.823 -21.426 10.257 1.00 0.00 C ATOM 591 CG PHE A 41 -1.509 -20.983 8.981 1.00 0.00 C ATOM 592 CD1 PHE A 41 -1.615 -19.618 8.685 1.00 0.00 C ATOM 593 CD2 PHE A 41 -2.037 -21.933 8.098 1.00 0.00 C ATOM 594 CE1 PHE A 41 -2.249 -19.203 7.509 1.00 0.00 C ATOM 595 CE2 PHE A 41 -2.671 -21.518 6.921 1.00 0.00 C ATOM 596 CZ PHE A 41 -2.778 -20.153 6.627 1.00 0.00 C ATOM 0 H PHE A 41 0.628 -21.354 12.141 1.00 0.00 H new ATOM 0 HA PHE A 41 0.884 -22.575 9.506 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.274 -22.352 10.614 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.974 -20.677 11.035 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.207 -18.885 9.365 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.955 -22.986 8.325 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.330 -18.150 7.282 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.078 -22.251 6.240 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.269 -19.833 5.720 1.00 0.00 H new ATOM 606 N MET A 42 1.528 -20.823 7.899 1.00 0.00 N ATOM 607 CA MET A 42 2.092 -19.789 6.986 1.00 0.00 C ATOM 608 C MET A 42 1.065 -19.456 5.901 1.00 0.00 C ATOM 609 O MET A 42 0.288 -20.296 5.492 1.00 0.00 O ATOM 610 CB MET A 42 3.343 -20.417 6.362 1.00 0.00 C ATOM 611 CG MET A 42 4.238 -20.998 7.461 1.00 0.00 C ATOM 612 SD MET A 42 5.835 -21.470 6.753 1.00 0.00 S ATOM 613 CE MET A 42 5.886 -23.157 7.407 1.00 0.00 C ATOM 0 H MET A 42 1.362 -21.735 7.472 1.00 0.00 H new ATOM 0 HA MET A 42 2.335 -18.865 7.511 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.056 -21.202 5.662 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.892 -19.667 5.793 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.382 -20.263 8.253 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.759 -21.866 7.914 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.807 -23.644 7.086 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.853 -23.126 8.496 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.029 -23.718 7.033 1.00 0.00 H new ATOM 623 N CYS A 43 1.051 -18.241 5.438 1.00 0.00 N ATOM 624 CA CYS A 43 0.068 -17.856 4.387 1.00 0.00 C ATOM 625 C CYS A 43 0.270 -18.703 3.123 1.00 0.00 C ATOM 626 O CYS A 43 1.390 -18.937 2.713 1.00 0.00 O ATOM 627 CB CYS A 43 0.374 -16.394 4.090 1.00 0.00 C ATOM 628 SG CYS A 43 -0.936 -15.690 3.063 1.00 0.00 S ATOM 0 H CYS A 43 1.678 -17.495 5.741 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.961 -18.011 4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.459 -15.834 5.021 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.333 -16.310 3.579 1.00 0.00 H new ATOM 633 N PRO A 44 -0.823 -19.127 2.534 1.00 0.00 N ATOM 634 CA PRO A 44 -0.743 -19.938 1.298 1.00 0.00 C ATOM 635 C PRO A 44 -0.474 -19.043 0.079 1.00 0.00 C ATOM 636 O PRO A 44 -0.438 -19.509 -1.042 1.00 0.00 O ATOM 637 CB PRO A 44 -2.124 -20.574 1.197 1.00 0.00 C ATOM 638 CG PRO A 44 -3.041 -19.654 1.943 1.00 0.00 C ATOM 639 CD PRO A 44 -2.212 -18.901 2.956 1.00 0.00 C ATOM 0 HA PRO A 44 0.064 -20.671 1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.433 -20.679 0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.129 -21.573 1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.529 -18.961 1.257 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.830 -20.220 2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.458 -17.839 2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.386 -19.272 3.966 1.00 0.00 H new ATOM 647 N ALA A 45 -0.294 -17.762 0.281 1.00 0.00 N ATOM 648 CA ALA A 45 -0.041 -16.858 -0.877 1.00 0.00 C ATOM 649 C ALA A 45 1.261 -16.075 -0.681 1.00 0.00 C ATOM 650 O ALA A 45 1.980 -15.812 -1.624 1.00 0.00 O ATOM 651 CB ALA A 45 -1.237 -15.907 -0.907 1.00 0.00 C ATOM 0 H ALA A 45 -0.311 -17.307 1.194 1.00 0.00 H new ATOM 0 HA ALA A 45 0.067 -17.413 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.125 -15.207 -1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.155 -16.480 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.286 -15.354 0.031 1.00 0.00 H new ATOM 657 N CYS A 46 1.572 -15.694 0.528 1.00 0.00 N ATOM 658 CA CYS A 46 2.832 -14.924 0.752 1.00 0.00 C ATOM 659 C CYS A 46 3.730 -15.610 1.804 1.00 0.00 C ATOM 660 O CYS A 46 4.777 -15.107 2.160 1.00 0.00 O ATOM 661 CB CYS A 46 2.364 -13.510 1.165 1.00 0.00 C ATOM 662 SG CYS A 46 2.095 -13.364 2.956 1.00 0.00 S ATOM 0 H CYS A 46 1.016 -15.879 1.363 1.00 0.00 H new ATOM 0 HA CYS A 46 3.461 -14.874 -0.137 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.108 -12.778 0.851 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.439 -13.269 0.641 1.00 0.00 H new ATOM 667 N ARG A 47 3.341 -16.771 2.273 1.00 0.00 N ATOM 668 CA ARG A 47 4.179 -17.521 3.267 1.00 0.00 C ATOM 669 C ARG A 47 4.417 -16.721 4.557 1.00 0.00 C ATOM 670 O ARG A 47 5.317 -17.027 5.316 1.00 0.00 O ATOM 671 CB ARG A 47 5.507 -17.778 2.550 1.00 0.00 C ATOM 672 CG ARG A 47 5.661 -19.278 2.282 1.00 0.00 C ATOM 673 CD ARG A 47 4.683 -19.702 1.185 1.00 0.00 C ATOM 674 NE ARG A 47 4.240 -21.070 1.575 1.00 0.00 N ATOM 675 CZ ARG A 47 4.652 -22.109 0.901 1.00 0.00 C ATOM 676 NH1 ARG A 47 5.482 -22.954 1.448 1.00 0.00 N ATOM 677 NH2 ARG A 47 4.234 -22.301 -0.320 1.00 0.00 N ATOM 0 H ARG A 47 2.473 -17.236 2.009 1.00 0.00 H new ATOM 0 HA ARG A 47 3.680 -18.438 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.539 -17.225 1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.337 -17.420 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.684 -19.501 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.469 -19.843 3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.838 -19.016 1.122 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.164 -19.706 0.207 1.00 0.00 H new ATOM 0 HE ARG A 47 3.614 -21.195 2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.809 -22.803 2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.804 -23.766 0.921 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.586 -21.639 -0.747 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.556 -23.113 -0.847 1.00 0.00 H new ATOM 691 N SER A 48 3.625 -15.721 4.835 1.00 0.00 N ATOM 692 CA SER A 48 3.836 -14.950 6.097 1.00 0.00 C ATOM 693 C SER A 48 3.419 -15.809 7.298 1.00 0.00 C ATOM 694 O SER A 48 2.705 -16.780 7.140 1.00 0.00 O ATOM 695 CB SER A 48 2.937 -13.719 5.984 1.00 0.00 C ATOM 696 OG SER A 48 1.617 -14.125 5.656 1.00 0.00 O ATOM 0 H SER A 48 2.850 -15.406 4.252 1.00 0.00 H new ATOM 0 HA SER A 48 4.879 -14.668 6.239 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.936 -13.169 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.322 -13.044 5.220 1.00 0.00 H new ATOM 0 HG SER A 48 1.289 -13.592 4.902 1.00 0.00 H new ATOM 702 N PRO A 49 3.876 -15.428 8.464 1.00 0.00 N ATOM 703 CA PRO A 49 3.536 -16.188 9.692 1.00 0.00 C ATOM 704 C PRO A 49 2.059 -15.999 10.052 1.00 0.00 C ATOM 705 O PRO A 49 1.491 -14.945 9.855 1.00 0.00 O ATOM 706 CB PRO A 49 4.441 -15.575 10.757 1.00 0.00 C ATOM 707 CG PRO A 49 4.746 -14.198 10.256 1.00 0.00 C ATOM 708 CD PRO A 49 4.739 -14.272 8.752 1.00 0.00 C ATOM 0 HA PRO A 49 3.683 -17.263 9.583 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.944 -15.542 11.727 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.352 -16.160 10.886 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.003 -13.484 10.612 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.715 -13.859 10.622 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.345 -13.358 8.308 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.744 -14.413 8.353 1.00 0.00 H new ATOM 716 N LYS A 50 1.433 -17.017 10.575 1.00 0.00 N ATOM 717 CA LYS A 50 -0.006 -16.901 10.947 1.00 0.00 C ATOM 718 C LYS A 50 -0.235 -15.669 11.820 1.00 0.00 C ATOM 719 O LYS A 50 -1.282 -15.053 11.775 1.00 0.00 O ATOM 720 CB LYS A 50 -0.307 -18.182 11.725 1.00 0.00 C ATOM 721 CG LYS A 50 -1.801 -18.258 12.040 1.00 0.00 C ATOM 722 CD LYS A 50 -2.030 -19.266 13.169 1.00 0.00 C ATOM 723 CE LYS A 50 -2.750 -18.579 14.331 1.00 0.00 C ATOM 724 NZ LYS A 50 -1.661 -17.988 15.158 1.00 0.00 N ATOM 0 H LYS A 50 1.856 -17.926 10.761 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.653 -16.787 10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.004 -19.052 11.142 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.270 -18.201 12.649 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.173 -17.276 12.333 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.357 -18.557 11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.623 -20.106 12.806 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.076 -19.671 13.507 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.436 -17.811 13.973 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.341 -19.291 14.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.074 -17.498 15.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.028 -18.744 15.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.120 -17.309 14.585 1.00 0.00 H new ATOM 738 N ASN A 51 0.734 -15.291 12.605 1.00 0.00 N ATOM 739 CA ASN A 51 0.555 -14.087 13.459 1.00 0.00 C ATOM 740 C ASN A 51 0.419 -12.841 12.577 1.00 0.00 C ATOM 741 O ASN A 51 0.016 -11.790 13.035 1.00 0.00 O ATOM 742 CB ASN A 51 1.814 -14.011 14.323 1.00 0.00 C ATOM 743 CG ASN A 51 1.419 -13.734 15.776 1.00 0.00 C ATOM 744 OD1 ASN A 51 0.281 -13.929 16.156 1.00 0.00 O ATOM 745 ND2 ASN A 51 2.315 -13.282 16.609 1.00 0.00 N ATOM 0 H ASN A 51 1.636 -15.760 12.692 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.344 -14.143 14.073 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.370 -14.946 14.258 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.472 -13.223 13.957 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.061 -13.092 17.578 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.270 -13.118 16.291 1.00 0.00 H new ATOM 752 N GLN A 52 0.733 -12.951 11.312 1.00 0.00 N ATOM 753 CA GLN A 52 0.595 -11.774 10.411 1.00 0.00 C ATOM 754 C GLN A 52 -0.848 -11.681 9.896 1.00 0.00 C ATOM 755 O GLN A 52 -1.218 -10.736 9.224 1.00 0.00 O ATOM 756 CB GLN A 52 1.569 -12.033 9.260 1.00 0.00 C ATOM 757 CG GLN A 52 2.504 -10.832 9.109 1.00 0.00 C ATOM 758 CD GLN A 52 1.682 -9.581 8.801 1.00 0.00 C ATOM 759 OE1 GLN A 52 1.831 -8.566 9.452 1.00 0.00 O ATOM 760 NE2 GLN A 52 0.812 -9.611 7.830 1.00 0.00 N ATOM 0 H GLN A 52 1.077 -13.802 10.868 1.00 0.00 H new ATOM 0 HA GLN A 52 0.815 -10.833 10.916 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.147 -12.936 9.454 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.019 -12.199 8.334 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.077 -10.687 10.025 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.221 -11.015 8.309 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.687 -10.463 7.283 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.257 -8.782 7.617 1.00 0.00 H new ATOM 769 N PHE A 53 -1.670 -12.653 10.215 1.00 0.00 N ATOM 770 CA PHE A 53 -3.085 -12.608 9.752 1.00 0.00 C ATOM 771 C PHE A 53 -3.916 -11.762 10.722 1.00 0.00 C ATOM 772 O PHE A 53 -3.602 -11.656 11.891 1.00 0.00 O ATOM 773 CB PHE A 53 -3.560 -14.061 9.778 1.00 0.00 C ATOM 774 CG PHE A 53 -3.187 -14.747 8.485 1.00 0.00 C ATOM 775 CD1 PHE A 53 -1.875 -15.194 8.278 1.00 0.00 C ATOM 776 CD2 PHE A 53 -4.157 -14.945 7.495 1.00 0.00 C ATOM 777 CE1 PHE A 53 -1.535 -15.836 7.082 1.00 0.00 C ATOM 778 CE2 PHE A 53 -3.816 -15.585 6.298 1.00 0.00 C ATOM 779 CZ PHE A 53 -2.505 -16.031 6.091 1.00 0.00 C ATOM 0 H PHE A 53 -1.420 -13.469 10.773 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.185 -12.166 8.761 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.109 -14.585 10.621 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.640 -14.097 9.921 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.126 -15.043 9.042 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.169 -14.604 7.655 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.524 -16.181 6.923 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.564 -15.735 5.534 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.242 -16.525 5.167 1.00 0.00 H new ATOM 789 N LYS A 54 -4.974 -11.165 10.251 1.00 0.00 N ATOM 790 CA LYS A 54 -5.821 -10.333 11.154 1.00 0.00 C ATOM 791 C LYS A 54 -7.298 -10.505 10.793 1.00 0.00 C ATOM 792 O LYS A 54 -7.677 -10.421 9.642 1.00 0.00 O ATOM 793 CB LYS A 54 -5.370 -8.893 10.907 1.00 0.00 C ATOM 794 CG LYS A 54 -5.990 -7.977 11.965 1.00 0.00 C ATOM 795 CD LYS A 54 -5.262 -6.631 11.966 1.00 0.00 C ATOM 796 CE LYS A 54 -6.247 -5.520 11.600 1.00 0.00 C ATOM 797 NZ LYS A 54 -7.143 -5.399 12.784 1.00 0.00 N ATOM 0 H LYS A 54 -5.290 -11.216 9.282 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.714 -10.617 12.201 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.283 -8.829 10.947 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.672 -8.572 9.910 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.050 -7.829 11.757 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.920 -8.441 12.949 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.830 -6.440 12.948 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.438 -6.651 11.253 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.729 -4.582 11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.811 -5.772 10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.546 -4.441 12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.911 -6.096 12.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.597 -5.576 13.652 1.00 0.00 H new ATOM 811 N SER A 55 -8.136 -10.748 11.764 1.00 0.00 N ATOM 812 CA SER A 55 -9.583 -10.926 11.461 1.00 0.00 C ATOM 813 C SER A 55 -10.148 -9.671 10.804 1.00 0.00 C ATOM 814 O SER A 55 -9.494 -8.651 10.714 1.00 0.00 O ATOM 815 CB SER A 55 -10.262 -11.164 12.806 1.00 0.00 C ATOM 816 OG SER A 55 -9.786 -10.221 13.755 1.00 0.00 O ATOM 0 H SER A 55 -7.882 -10.830 12.749 1.00 0.00 H new ATOM 0 HA SER A 55 -9.747 -11.754 10.772 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.343 -11.074 12.700 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.059 -12.177 13.153 1.00 0.00 H new ATOM 0 HG SER A 55 -10.225 -10.375 14.618 1.00 0.00 H new ATOM 822 N ILE A 56 -11.362 -9.744 10.349 1.00 0.00 N ATOM 823 CA ILE A 56 -11.989 -8.557 9.698 1.00 0.00 C ATOM 824 C ILE A 56 -13.515 -8.705 9.702 1.00 0.00 C ATOM 825 O ILE A 56 -14.112 -9.165 8.749 1.00 0.00 O ATOM 826 CB ILE A 56 -11.433 -8.546 8.271 1.00 0.00 C ATOM 827 CG1 ILE A 56 -11.984 -7.335 7.515 1.00 0.00 C ATOM 828 CG2 ILE A 56 -11.839 -9.830 7.546 1.00 0.00 C ATOM 829 CD1 ILE A 56 -10.892 -6.765 6.605 1.00 0.00 C ATOM 0 H ILE A 56 -11.952 -10.574 10.398 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.766 -7.625 10.217 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.345 -8.485 8.311 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.852 -7.626 6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.320 -6.574 8.220 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.441 -9.816 6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.440 -10.692 8.081 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.926 -9.898 7.508 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.282 -5.902 6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.038 -6.459 7.209 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.578 -7.527 5.892 1.00 0.00 H new ATOM 841 N LYS A 57 -14.148 -8.321 10.775 1.00 0.00 N ATOM 842 CA LYS A 57 -15.633 -8.441 10.855 1.00 0.00 C ATOM 843 C LYS A 57 -16.280 -7.055 10.817 1.00 0.00 C ATOM 844 O LYS A 57 -16.852 -6.598 11.787 1.00 0.00 O ATOM 845 CB LYS A 57 -15.905 -9.120 12.200 1.00 0.00 C ATOM 846 CG LYS A 57 -15.236 -8.324 13.323 1.00 0.00 C ATOM 847 CD LYS A 57 -16.064 -8.445 14.605 1.00 0.00 C ATOM 848 CE LYS A 57 -15.133 -8.403 15.820 1.00 0.00 C ATOM 849 NZ LYS A 57 -15.666 -9.443 16.746 1.00 0.00 N ATOM 0 H LYS A 57 -13.701 -7.928 11.603 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.045 -9.008 10.020 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.979 -9.184 12.376 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.523 -10.141 12.187 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.226 -8.697 13.494 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.145 -7.277 13.035 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.789 -7.633 14.661 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.629 -9.377 14.599 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.103 -8.617 15.536 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.137 -7.418 16.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.081 -9.476 17.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.646 -9.209 17.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.644 -10.371 16.276 1.00 0.00 H new ATOM 863 N LYS A 58 -16.195 -6.384 9.704 1.00 0.00 N ATOM 864 CA LYS A 58 -16.806 -5.026 9.606 1.00 0.00 C ATOM 865 C LYS A 58 -17.375 -4.798 8.203 1.00 0.00 C ATOM 866 O LYS A 58 -16.692 -4.962 7.210 1.00 0.00 O ATOM 867 CB LYS A 58 -15.659 -4.055 9.885 1.00 0.00 C ATOM 868 CG LYS A 58 -15.585 -3.772 11.387 1.00 0.00 C ATOM 869 CD LYS A 58 -14.181 -3.284 11.748 1.00 0.00 C ATOM 870 CE LYS A 58 -14.284 -2.036 12.629 1.00 0.00 C ATOM 871 NZ LYS A 58 -14.629 -2.554 13.982 1.00 0.00 N ATOM 0 H LYS A 58 -15.730 -6.714 8.858 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.631 -4.894 10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.717 -4.479 9.537 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.813 -3.126 9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.324 -3.020 11.663 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.823 -4.675 11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.636 -4.068 12.273 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.619 -3.057 10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.344 -1.484 12.644 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.049 -1.353 12.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.486 -2.077 14.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.801 -3.578 13.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.842 -2.369 14.636 1.00 0.00 H new ATOM 885 N VAL A 59 -18.620 -4.416 8.111 1.00 0.00 N ATOM 886 CA VAL A 59 -19.228 -4.173 6.771 1.00 0.00 C ATOM 887 C VAL A 59 -18.651 -2.895 6.157 1.00 0.00 C ATOM 888 O VAL A 59 -18.260 -1.982 6.856 1.00 0.00 O ATOM 889 CB VAL A 59 -20.726 -4.011 7.036 1.00 0.00 C ATOM 890 CG1 VAL A 59 -21.290 -5.317 7.604 1.00 0.00 C ATOM 891 CG2 VAL A 59 -20.945 -2.880 8.041 1.00 0.00 C ATOM 0 H VAL A 59 -19.242 -4.262 8.905 1.00 0.00 H new ATOM 0 HA VAL A 59 -19.025 -4.984 6.072 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.236 -3.772 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -22.357 -5.201 7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.134 -6.123 6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -20.781 -5.558 8.537 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -22.012 -2.763 8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -20.434 -3.118 8.974 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -20.545 -1.951 7.636 1.00 0.00 H new ATOM 901 N ILE A 60 -18.594 -2.822 4.856 1.00 0.00 N ATOM 902 CA ILE A 60 -18.041 -1.600 4.203 1.00 0.00 C ATOM 903 C ILE A 60 -18.992 -1.102 3.110 1.00 0.00 C ATOM 904 O ILE A 60 -18.623 -0.986 1.958 1.00 0.00 O ATOM 905 CB ILE A 60 -16.709 -2.045 3.595 1.00 0.00 C ATOM 906 CG1 ILE A 60 -16.948 -3.222 2.647 1.00 0.00 C ATOM 907 CG2 ILE A 60 -15.754 -2.474 4.712 1.00 0.00 C ATOM 908 CD1 ILE A 60 -15.852 -3.245 1.579 1.00 0.00 C ATOM 0 H ILE A 60 -18.905 -3.553 4.217 1.00 0.00 H new ATOM 0 HA ILE A 60 -17.914 -0.778 4.908 1.00 0.00 H new ATOM 0 HB ILE A 60 -16.269 -1.216 3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.947 -4.158 3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -17.927 -3.132 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.806 -2.791 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.582 -1.635 5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -16.193 -3.302 5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -16.021 -4.083 0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -15.874 -2.313 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -14.879 -3.356 2.058 1.00 0.00 H new ATOM 920 N ALA A 61 -20.214 -0.803 3.462 1.00 0.00 N ATOM 921 CA ALA A 61 -21.185 -0.309 2.443 1.00 0.00 C ATOM 922 C ALA A 61 -21.592 1.134 2.756 1.00 0.00 C ATOM 923 O ALA A 61 -22.012 1.873 1.889 1.00 0.00 O ATOM 924 CB ALA A 61 -22.391 -1.242 2.558 1.00 0.00 C ATOM 0 H ALA A 61 -20.582 -0.879 4.410 1.00 0.00 H new ATOM 0 HA ALA A 61 -20.764 -0.310 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -23.152 -0.943 1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -22.080 -2.266 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -22.802 -1.183 3.566 1.00 0.00 H new ATOM 930 N GLY A 62 -21.470 1.539 3.991 1.00 0.00 N ATOM 931 CA GLY A 62 -21.848 2.932 4.362 1.00 0.00 C ATOM 932 C GLY A 62 -21.638 3.133 5.864 1.00 0.00 C ATOM 933 O GLY A 62 -20.522 3.205 6.339 1.00 0.00 O ATOM 0 H GLY A 62 -21.124 0.964 4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -21.245 3.646 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -22.890 3.120 4.101 1.00 0.00 H new ATOM 937 N PHE A 63 -22.702 3.222 6.615 1.00 0.00 N ATOM 938 CA PHE A 63 -22.562 3.417 8.088 1.00 0.00 C ATOM 939 C PHE A 63 -23.821 2.929 8.810 1.00 0.00 C ATOM 940 O PHE A 63 -24.233 3.488 9.806 1.00 0.00 O ATOM 941 CB PHE A 63 -22.393 4.925 8.275 1.00 0.00 C ATOM 942 CG PHE A 63 -23.593 5.638 7.700 1.00 0.00 C ATOM 943 CD1 PHE A 63 -23.635 5.946 6.335 1.00 0.00 C ATOM 944 CD2 PHE A 63 -24.663 5.988 8.530 1.00 0.00 C ATOM 945 CE1 PHE A 63 -24.748 6.605 5.800 1.00 0.00 C ATOM 946 CE2 PHE A 63 -25.778 6.647 7.995 1.00 0.00 C ATOM 947 CZ PHE A 63 -25.821 6.955 6.631 1.00 0.00 C ATOM 0 H PHE A 63 -23.662 3.168 6.273 1.00 0.00 H new ATOM 0 HA PHE A 63 -21.722 2.857 8.498 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -22.288 5.162 9.334 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -21.483 5.264 7.781 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -22.809 5.675 5.695 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -24.630 5.750 9.583 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -24.780 6.844 4.747 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -26.604 6.917 8.636 1.00 0.00 H new ATOM 0 HZ PHE A 63 -26.681 7.462 6.219 1.00 0.00 H new ATOM 957 N ALA A 64 -24.435 1.888 8.315 1.00 0.00 N ATOM 958 CA ALA A 64 -25.667 1.365 8.974 1.00 0.00 C ATOM 959 C ALA A 64 -26.688 2.492 9.164 1.00 0.00 C ATOM 960 O ALA A 64 -26.845 3.023 10.245 1.00 0.00 O ATOM 961 CB ALA A 64 -25.195 0.838 10.329 1.00 0.00 C ATOM 0 H ALA A 64 -24.137 1.377 7.484 1.00 0.00 H new ATOM 0 HA ALA A 64 -26.156 0.592 8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -26.045 0.434 10.879 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -24.455 0.052 10.176 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.747 1.651 10.900 1.00 0.00 H new ATOM 967 N GLU A 65 -27.384 2.859 8.122 1.00 0.00 N ATOM 968 CA GLU A 65 -28.394 3.952 8.245 1.00 0.00 C ATOM 969 C GLU A 65 -29.352 3.661 9.405 1.00 0.00 C ATOM 970 O GLU A 65 -29.658 2.523 9.700 1.00 0.00 O ATOM 971 CB GLU A 65 -29.149 3.947 6.915 1.00 0.00 C ATOM 972 CG GLU A 65 -28.786 5.201 6.115 1.00 0.00 C ATOM 973 CD GLU A 65 -29.117 4.980 4.638 1.00 0.00 C ATOM 974 OE1 GLU A 65 -29.894 4.083 4.352 1.00 0.00 O ATOM 975 OE2 GLU A 65 -28.589 5.711 3.816 1.00 0.00 O ATOM 0 H GLU A 65 -27.298 2.450 7.191 1.00 0.00 H new ATOM 0 HA GLU A 65 -27.932 4.918 8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.896 3.053 6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -30.224 3.916 7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -29.337 6.061 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -27.726 5.425 6.231 1.00 0.00 H new ATOM 982 N ASN A 66 -29.830 4.683 10.061 1.00 0.00 N ATOM 983 CA ASN A 66 -30.770 4.464 11.198 1.00 0.00 C ATOM 984 C ASN A 66 -32.109 5.149 10.915 1.00 0.00 C ATOM 985 O ASN A 66 -32.716 5.733 11.792 1.00 0.00 O ATOM 986 CB ASN A 66 -30.086 5.103 12.407 1.00 0.00 C ATOM 987 CG ASN A 66 -28.769 4.377 12.689 1.00 0.00 C ATOM 988 OD1 ASN A 66 -28.571 3.260 12.254 1.00 0.00 O ATOM 989 ND2 ASN A 66 -27.852 4.970 13.405 1.00 0.00 N ATOM 0 H ASN A 66 -29.611 5.659 9.860 1.00 0.00 H new ATOM 0 HA ASN A 66 -30.982 3.407 11.361 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -29.898 6.159 12.216 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -30.738 5.048 13.279 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -26.970 4.495 13.599 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -28.018 5.908 13.770 1.00 0.00 H new ATOM 996 N GLN A 67 -32.576 5.085 9.697 1.00 0.00 N ATOM 997 CA GLN A 67 -33.877 5.734 9.364 1.00 0.00 C ATOM 998 C GLN A 67 -34.828 4.719 8.724 1.00 0.00 C ATOM 999 O GLN A 67 -34.584 3.529 8.743 1.00 0.00 O ATOM 1000 CB GLN A 67 -33.526 6.842 8.370 1.00 0.00 C ATOM 1001 CG GLN A 67 -34.363 8.085 8.679 1.00 0.00 C ATOM 1002 CD GLN A 67 -34.527 8.921 7.408 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -34.578 8.386 6.318 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -34.609 10.220 7.502 1.00 0.00 N ATOM 0 H GLN A 67 -32.114 4.613 8.920 1.00 0.00 H new ATOM 0 HA GLN A 67 -34.380 6.125 10.248 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -32.464 7.080 8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -33.717 6.506 7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -35.340 7.792 9.062 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -33.880 8.677 9.456 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -34.566 10.669 8.417 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -34.716 10.786 6.661 1.00 0.00 H new ATOM 1013 N LYS A 68 -35.911 5.180 8.162 1.00 0.00 N ATOM 1014 CA LYS A 68 -36.880 4.241 7.524 1.00 0.00 C ATOM 1015 C LYS A 68 -36.755 4.304 5.998 1.00 0.00 C ATOM 1016 O LYS A 68 -37.241 5.218 5.363 1.00 0.00 O ATOM 1017 CB LYS A 68 -38.256 4.734 7.973 1.00 0.00 C ATOM 1018 CG LYS A 68 -39.322 3.717 7.564 1.00 0.00 C ATOM 1019 CD LYS A 68 -39.923 3.076 8.817 1.00 0.00 C ATOM 1020 CE LYS A 68 -40.890 4.061 9.481 1.00 0.00 C ATOM 1021 NZ LYS A 68 -40.674 3.877 10.943 1.00 0.00 N ATOM 0 H LYS A 68 -36.168 6.166 8.116 1.00 0.00 H new ATOM 0 HA LYS A 68 -36.703 3.204 7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -38.269 4.875 9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -38.471 5.703 7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -40.103 4.207 6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -38.883 2.951 6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -40.447 2.158 8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -39.131 2.802 9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -40.682 5.087 9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -41.923 3.850 9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -41.301 4.518 11.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -40.886 2.893 11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -39.684 4.092 11.177 1.00 0.00 H new ATOM 1035 N TYR A 69 -36.111 3.336 5.406 1.00 0.00 N ATOM 1036 CA TYR A 69 -35.957 3.337 3.921 1.00 0.00 C ATOM 1037 C TYR A 69 -35.460 1.970 3.441 1.00 0.00 C ATOM 1038 O TYR A 69 -34.285 1.774 3.205 1.00 0.00 O ATOM 1039 CB TYR A 69 -34.917 4.419 3.631 1.00 0.00 C ATOM 1040 CG TYR A 69 -35.078 4.910 2.211 1.00 0.00 C ATOM 1041 CD1 TYR A 69 -34.683 4.098 1.140 1.00 0.00 C ATOM 1042 CD2 TYR A 69 -35.623 6.176 1.965 1.00 0.00 C ATOM 1043 CE1 TYR A 69 -34.833 4.553 -0.176 1.00 0.00 C ATOM 1044 CE2 TYR A 69 -35.772 6.631 0.649 1.00 0.00 C ATOM 1045 CZ TYR A 69 -35.377 5.820 -0.420 1.00 0.00 C ATOM 1046 OH TYR A 69 -35.525 6.269 -1.718 1.00 0.00 O ATOM 0 H TYR A 69 -35.684 2.543 5.885 1.00 0.00 H new ATOM 0 HA TYR A 69 -36.899 3.531 3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -35.036 5.248 4.329 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -33.913 4.021 3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -34.263 3.121 1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -35.929 6.802 2.790 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -34.529 3.927 -1.002 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -36.192 7.608 0.460 1.00 0.00 H new ATOM 0 HH TYR A 69 -35.918 7.167 -1.711 1.00 0.00 H new ATOM 1056 N GLY A 70 -36.346 1.021 3.298 1.00 0.00 N ATOM 1057 CA GLY A 70 -35.923 -0.331 2.837 1.00 0.00 C ATOM 1058 C GLY A 70 -36.438 -0.572 1.415 1.00 0.00 C ATOM 1059 O GLY A 70 -37.403 0.072 1.039 1.00 0.00 O ATOM 1060 OXT GLY A 70 -35.859 -1.398 0.729 1.00 0.00 O ATOM 0 H GLY A 70 -37.344 1.125 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -34.836 -0.411 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -36.313 -1.095 3.510 1.00 0.00 H new TER 1064 GLY A 70 HETATM 1065 ZN ZN A 71 -0.253 -13.446 3.085 1.00 0.00 ZN