USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 609 hydrogens (37 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 NoAdj-H: A 18 ASNHD21 : A 18 ASN ND2 : A 78 NAG C1 :(H bumps) USER MOD Set 1.1: A 37 ASN : amide:sc= -3.63! C(o=-12!,f=-25!) USER MOD Set 1.2: A 70 ASN : amide:sc= -8.73! C(o=-12!,f=-23!) USER MOD Set 2.1: A 34 GLN : amide:sc= 0.00697 X(o=0.014,f=0.0054) USER MOD Set 2.2: A 36 TYR OH : rot -4:sc= 0.00701 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -2.47! C(o=-2.5!,f=-8.4!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.893 K(o=-0.89,f=-5.6!) USER MOD Single : A 8 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.5!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0315 USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00173) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.0967) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -128:sc= 0.322 (180deg=-0.32) USER MOD Single : A 44 HIS : no HD1:sc= -5.49! C(o=-5.5!,f=-4!) USER MOD Single : A 46 ASN : amide:sc= -3.92! C(o=-3.9!,f=-1.8!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot -150:sc= -0.917 USER MOD Single : A 52 THR OG1 : rot 115:sc= 1 USER MOD Single : A 57 ASN : amide:sc= -0.627 X(o=-0.63,f=-0.2) USER MOD Single : A 60 THR OG1 : rot 160:sc= 0 USER MOD Single : A 61 TYR OH : rot -24:sc= -4.66! USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.182 K(o=-0.18,f=0.65) USER MOD Single : A 74 GLN : amide:sc= -1.55 K(o=-1.5,f=-4.7!) USER MOD Single : A 77 ASN : amide:sc= -0.185 X(o=-0.18,f=-0.01) USER MOD Single : A 78 NAG O3 : rot 149:sc= 0.00986 USER MOD Single : A 79 NAG O3 : rot 147:sc= -0.0304 USER MOD Single : A 79 NAG O4 : rot -140:sc= 1.17 USER MOD Single : A 79 NAG O6 : rot 180:sc= 0.969 USER MOD Single : A 80 FUC O2 : rot 29:sc= 0.036 USER MOD Single : A 80 FUC O3 : rot -90:sc= 0.0109 USER MOD Single : A 80 FUC O4 : rot 160:sc= -0.0031 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.571 -12.216 -6.086 1.00 0.00 N ATOM 2 CA LEU A 1 4.080 -10.858 -6.453 1.00 0.00 C ATOM 3 C LEU A 1 4.413 -9.877 -5.326 1.00 0.00 C ATOM 4 O LEU A 1 3.607 -9.623 -4.453 1.00 0.00 O ATOM 5 CB LEU A 1 2.565 -10.903 -6.664 1.00 0.00 C ATOM 6 CG LEU A 1 2.136 -9.748 -7.572 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.728 -8.438 -7.049 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.640 -10.001 -8.995 1.00 0.00 C ATOM 0 H1 LEU A 1 4.346 -12.885 -6.850 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.601 -12.186 -5.944 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.109 -12.526 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 1 4.563 -10.531 -7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.278 -11.855 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.052 -10.834 -5.705 1.00 0.00 H new ATOM 0 HG LEU A 1 1.048 -9.679 -7.578 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.422 -7.616 -7.696 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.369 -8.255 -6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.816 -8.508 -7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.334 -9.178 -9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.728 -10.072 -8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.218 -10.933 -9.370 1.00 0.00 H new ATOM 22 N GLN A 2 5.594 -9.324 -5.341 1.00 0.00 N ATOM 23 CA GLN A 2 5.983 -8.360 -4.276 1.00 0.00 C ATOM 24 C GLN A 2 5.410 -6.983 -4.605 1.00 0.00 C ATOM 25 O GLN A 2 5.145 -6.665 -5.744 1.00 0.00 O ATOM 26 CB GLN A 2 7.509 -8.267 -4.206 1.00 0.00 C ATOM 27 CG GLN A 2 8.084 -9.598 -3.725 1.00 0.00 C ATOM 28 CD GLN A 2 9.184 -10.055 -4.685 1.00 0.00 C ATOM 29 OE1 GLN A 2 9.479 -9.383 -5.653 1.00 0.00 O ATOM 30 NE2 GLN A 2 9.807 -11.179 -4.458 1.00 0.00 N ATOM 0 H GLN A 2 6.308 -9.499 -6.048 1.00 0.00 H new ATOM 0 HA GLN A 2 5.592 -8.701 -3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.913 -8.018 -5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.804 -7.466 -3.528 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.487 -9.490 -2.718 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.296 -10.349 -3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.560 -11.744 -3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.541 -11.493 -5.093 1.00 0.00 H new ATOM 39 N CYS A 3 5.228 -6.160 -3.614 1.00 0.00 N ATOM 40 CA CYS A 3 4.686 -4.796 -3.865 1.00 0.00 C ATOM 41 C CYS A 3 5.356 -3.814 -2.903 1.00 0.00 C ATOM 42 O CYS A 3 6.161 -4.195 -2.076 1.00 0.00 O ATOM 43 CB CYS A 3 3.177 -4.784 -3.630 1.00 0.00 C ATOM 44 SG CYS A 3 2.332 -5.711 -4.939 1.00 0.00 S ATOM 0 H CYS A 3 5.431 -6.372 -2.637 1.00 0.00 H new ATOM 0 HA CYS A 3 4.888 -4.508 -4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.949 -5.223 -2.659 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.813 -3.757 -3.609 1.00 0.00 H new ATOM 49 N TYR A 4 5.036 -2.555 -2.999 1.00 0.00 N ATOM 50 CA TYR A 4 5.661 -1.562 -2.083 1.00 0.00 C ATOM 51 C TYR A 4 4.616 -1.064 -1.083 1.00 0.00 C ATOM 52 O TYR A 4 3.681 -0.376 -1.439 1.00 0.00 O ATOM 53 CB TYR A 4 6.200 -0.383 -2.894 1.00 0.00 C ATOM 54 CG TYR A 4 7.616 -0.681 -3.324 1.00 0.00 C ATOM 55 CD1 TYR A 4 8.671 -0.521 -2.418 1.00 0.00 C ATOM 56 CD2 TYR A 4 7.873 -1.121 -4.628 1.00 0.00 C ATOM 57 CE1 TYR A 4 9.983 -0.800 -2.817 1.00 0.00 C ATOM 58 CE2 TYR A 4 9.185 -1.401 -5.026 1.00 0.00 C ATOM 59 CZ TYR A 4 10.241 -1.240 -4.120 1.00 0.00 C ATOM 60 OH TYR A 4 11.535 -1.516 -4.513 1.00 0.00 O ATOM 0 H TYR A 4 4.371 -2.171 -3.670 1.00 0.00 H new ATOM 0 HA TYR A 4 6.483 -2.033 -1.544 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.571 -0.209 -3.767 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.173 0.528 -2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.473 -0.182 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.059 -1.244 -5.327 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.797 -0.676 -2.118 1.00 0.00 H new ATOM 0 HE2 TYR A 4 9.383 -1.741 -6.032 1.00 0.00 H new ATOM 0 HH TYR A 4 11.537 -1.811 -5.447 1.00 0.00 H new ATOM 70 N ASN A 5 4.766 -1.412 0.166 1.00 0.00 N ATOM 71 CA ASN A 5 3.779 -0.963 1.187 1.00 0.00 C ATOM 72 C ASN A 5 4.453 0.002 2.164 1.00 0.00 C ATOM 73 O ASN A 5 5.613 -0.138 2.492 1.00 0.00 O ATOM 74 CB ASN A 5 3.253 -2.178 1.954 1.00 0.00 C ATOM 75 CG ASN A 5 1.945 -1.812 2.657 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.874 -0.823 3.359 1.00 0.00 O ATOM 77 ND2 ASN A 5 0.898 -2.576 2.500 1.00 0.00 N ATOM 0 H ASN A 5 5.529 -1.987 0.523 1.00 0.00 H new ATOM 0 HA ASN A 5 2.951 -0.456 0.692 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.089 -3.010 1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.991 -2.507 2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.022 -2.342 2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.956 -3.407 1.911 1.00 0.00 H new ATOM 84 N CYS A 6 3.727 0.980 2.634 1.00 0.00 N ATOM 85 CA CYS A 6 4.314 1.956 3.595 1.00 0.00 C ATOM 86 C CYS A 6 3.217 2.431 4.554 1.00 0.00 C ATOM 87 O CYS A 6 2.050 2.407 4.215 1.00 0.00 O ATOM 88 CB CYS A 6 4.884 3.151 2.824 1.00 0.00 C ATOM 89 SG CYS A 6 5.741 2.562 1.340 1.00 0.00 S ATOM 0 H CYS A 6 2.750 1.145 2.393 1.00 0.00 H new ATOM 0 HA CYS A 6 5.116 1.483 4.163 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.081 3.834 2.546 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.573 3.710 3.457 1.00 0.00 H new ATOM 94 N PRO A 7 3.623 2.840 5.729 1.00 0.00 N ATOM 95 CA PRO A 7 2.695 3.319 6.770 1.00 0.00 C ATOM 96 C PRO A 7 2.217 4.742 6.459 1.00 0.00 C ATOM 97 O PRO A 7 1.251 5.217 7.023 1.00 0.00 O ATOM 98 CB PRO A 7 3.541 3.290 8.045 1.00 0.00 C ATOM 99 CG PRO A 7 5.019 3.345 7.590 1.00 0.00 C ATOM 100 CD PRO A 7 5.046 2.865 6.126 1.00 0.00 C ATOM 0 HA PRO A 7 1.792 2.713 6.849 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.301 4.136 8.689 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.345 2.385 8.621 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.413 4.358 7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.642 2.708 8.218 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.624 3.541 5.496 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.502 1.879 6.038 1.00 0.00 H new ATOM 108 N ASN A 8 2.882 5.424 5.569 1.00 0.00 N ATOM 109 CA ASN A 8 2.459 6.811 5.229 1.00 0.00 C ATOM 110 C ASN A 8 2.680 7.057 3.735 1.00 0.00 C ATOM 111 O ASN A 8 3.550 6.459 3.133 1.00 0.00 O ATOM 112 CB ASN A 8 3.291 7.813 6.035 1.00 0.00 C ATOM 113 CG ASN A 8 2.608 8.083 7.377 1.00 0.00 C ATOM 114 OD1 ASN A 8 1.509 7.623 7.616 1.00 0.00 O ATOM 115 ND2 ASN A 8 3.216 8.816 8.269 1.00 0.00 N ATOM 0 H ASN A 8 3.699 5.082 5.063 1.00 0.00 H new ATOM 0 HA ASN A 8 1.404 6.937 5.470 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.294 7.420 6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.400 8.743 5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.769 9.003 9.167 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.139 9.202 8.069 1.00 0.00 H new ATOM 122 N PRO A 9 1.887 7.938 3.182 1.00 0.00 N ATOM 123 CA PRO A 9 1.978 8.293 1.758 1.00 0.00 C ATOM 124 C PRO A 9 3.173 9.213 1.537 1.00 0.00 C ATOM 125 O PRO A 9 3.045 10.419 1.465 1.00 0.00 O ATOM 126 CB PRO A 9 0.656 9.013 1.478 1.00 0.00 C ATOM 127 CG PRO A 9 0.142 9.523 2.846 1.00 0.00 C ATOM 128 CD PRO A 9 0.835 8.664 3.923 1.00 0.00 C ATOM 0 HA PRO A 9 2.123 7.437 1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.803 9.841 0.785 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.065 8.337 1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.379 10.578 2.980 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.942 9.428 2.913 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.259 9.282 4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.134 7.977 4.397 1.00 0.00 H new ATOM 136 N THR A 10 4.337 8.643 1.440 1.00 0.00 N ATOM 137 CA THR A 10 5.560 9.466 1.236 1.00 0.00 C ATOM 138 C THR A 10 6.031 9.340 -0.212 1.00 0.00 C ATOM 139 O THR A 10 5.642 8.436 -0.927 1.00 0.00 O ATOM 140 CB THR A 10 6.665 8.971 2.174 1.00 0.00 C ATOM 141 OG1 THR A 10 7.811 9.797 2.030 1.00 0.00 O ATOM 142 CG2 THR A 10 7.027 7.526 1.823 1.00 0.00 C ATOM 0 H THR A 10 4.497 7.637 1.493 1.00 0.00 H new ATOM 0 HA THR A 10 5.334 10.510 1.452 1.00 0.00 H new ATOM 0 HB THR A 10 6.313 9.014 3.205 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.518 9.483 2.631 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.813 7.175 2.491 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.147 6.893 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.379 7.479 0.792 1.00 0.00 H new ATOM 150 N ALA A 11 6.870 10.237 -0.648 1.00 0.00 N ATOM 151 CA ALA A 11 7.373 10.169 -2.048 1.00 0.00 C ATOM 152 C ALA A 11 8.807 9.642 -2.040 1.00 0.00 C ATOM 153 O ALA A 11 9.631 10.042 -2.839 1.00 0.00 O ATOM 154 CB ALA A 11 7.343 11.567 -2.670 1.00 0.00 C ATOM 0 H ALA A 11 7.230 11.015 -0.095 1.00 0.00 H new ATOM 0 HA ALA A 11 6.741 9.501 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.711 11.517 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.320 11.943 -2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.976 12.237 -2.089 1.00 0.00 H new ATOM 160 N ASP A 12 9.113 8.745 -1.142 1.00 0.00 N ATOM 161 CA ASP A 12 10.496 8.194 -1.082 1.00 0.00 C ATOM 162 C ASP A 12 10.485 6.855 -0.341 1.00 0.00 C ATOM 163 O ASP A 12 11.398 6.535 0.395 1.00 0.00 O ATOM 164 CB ASP A 12 11.403 9.180 -0.342 1.00 0.00 C ATOM 165 CG ASP A 12 11.962 10.204 -1.332 1.00 0.00 C ATOM 166 OD1 ASP A 12 12.326 9.804 -2.425 1.00 0.00 O ATOM 167 OD2 ASP A 12 12.015 11.372 -0.980 1.00 0.00 O ATOM 0 H ASP A 12 8.466 8.371 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 12 10.870 8.042 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.842 9.687 0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.219 8.645 0.144 1.00 0.00 H new ATOM 172 N CYS A 13 9.461 6.065 -0.530 1.00 0.00 N ATOM 173 CA CYS A 13 9.398 4.747 0.163 1.00 0.00 C ATOM 174 C CYS A 13 10.337 3.763 -0.535 1.00 0.00 C ATOM 175 O CYS A 13 10.834 4.020 -1.613 1.00 0.00 O ATOM 176 CB CYS A 13 7.970 4.200 0.110 1.00 0.00 C ATOM 177 SG CYS A 13 7.649 3.186 1.576 1.00 0.00 S ATOM 0 H CYS A 13 8.667 6.276 -1.134 1.00 0.00 H new ATOM 0 HA CYS A 13 9.699 4.874 1.203 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.257 5.023 0.062 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.832 3.605 -0.793 1.00 0.00 H new ATOM 182 N LYS A 14 10.578 2.637 0.073 1.00 0.00 N ATOM 183 CA LYS A 14 11.479 1.630 -0.551 1.00 0.00 C ATOM 184 C LYS A 14 11.578 0.412 0.366 1.00 0.00 C ATOM 185 O LYS A 14 12.596 -0.248 0.431 1.00 0.00 O ATOM 186 CB LYS A 14 12.868 2.237 -0.752 1.00 0.00 C ATOM 187 CG LYS A 14 13.242 2.179 -2.234 1.00 0.00 C ATOM 188 CD LYS A 14 14.534 2.964 -2.465 1.00 0.00 C ATOM 189 CE LYS A 14 15.175 2.522 -3.782 1.00 0.00 C ATOM 190 NZ LYS A 14 14.372 3.040 -4.926 1.00 0.00 N ATOM 0 H LYS A 14 10.189 2.370 0.977 1.00 0.00 H new ATOM 0 HA LYS A 14 11.078 1.329 -1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.879 3.270 -0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.603 1.693 -0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.373 1.143 -2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.437 2.596 -2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.322 4.033 -2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.225 2.798 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.197 2.895 -3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.229 1.434 -3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.818 2.753 -5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.409 2.651 -4.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.328 4.078 -4.878 1.00 0.00 H new ATOM 204 N THR A 15 10.528 0.112 1.082 1.00 0.00 N ATOM 205 CA THR A 15 10.565 -1.063 1.999 1.00 0.00 C ATOM 206 C THR A 15 10.435 -2.355 1.187 1.00 0.00 C ATOM 207 O THR A 15 10.938 -3.390 1.574 1.00 0.00 O ATOM 208 CB THR A 15 9.412 -0.967 3.002 1.00 0.00 C ATOM 209 OG1 THR A 15 9.415 -2.119 3.832 1.00 0.00 O ATOM 210 CG2 THR A 15 8.085 -0.879 2.250 1.00 0.00 C ATOM 0 H THR A 15 9.648 0.628 1.072 1.00 0.00 H new ATOM 0 HA THR A 15 11.513 -1.071 2.537 1.00 0.00 H new ATOM 0 HB THR A 15 9.536 -0.075 3.617 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.679 -2.060 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.265 -0.811 2.965 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.086 0.006 1.613 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.956 -1.769 1.634 1.00 0.00 H new ATOM 218 N ALA A 16 9.773 -2.300 0.062 1.00 0.00 N ATOM 219 CA ALA A 16 9.615 -3.520 -0.781 1.00 0.00 C ATOM 220 C ALA A 16 9.312 -4.737 0.101 1.00 0.00 C ATOM 221 O ALA A 16 10.202 -5.369 0.633 1.00 0.00 O ATOM 222 CB ALA A 16 10.908 -3.762 -1.559 1.00 0.00 C ATOM 0 H ALA A 16 9.333 -1.459 -0.311 1.00 0.00 H new ATOM 0 HA ALA A 16 8.787 -3.373 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.799 -4.653 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.116 -2.902 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.732 -3.904 -0.860 1.00 0.00 H new ATOM 228 N VAL A 17 8.059 -5.074 0.255 1.00 0.00 N ATOM 229 CA VAL A 17 7.702 -6.251 1.100 1.00 0.00 C ATOM 230 C VAL A 17 6.853 -7.234 0.289 1.00 0.00 C ATOM 231 O VAL A 17 6.124 -6.852 -0.606 1.00 0.00 O ATOM 232 CB VAL A 17 6.907 -5.777 2.319 1.00 0.00 C ATOM 233 CG1 VAL A 17 5.786 -4.842 1.865 1.00 0.00 C ATOM 234 CG2 VAL A 17 6.302 -6.986 3.036 1.00 0.00 C ATOM 0 H VAL A 17 7.269 -4.586 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 17 8.614 -6.750 1.427 1.00 0.00 H new ATOM 0 HB VAL A 17 7.571 -5.245 3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.220 -4.504 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.216 -3.980 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.122 -5.374 1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.736 -6.648 3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.638 -7.519 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.100 -7.653 3.361 1.00 0.00 H new ATOM 244 N ASN A 18 6.942 -8.501 0.598 1.00 0.00 N ATOM 245 CA ASN A 18 6.143 -9.516 -0.149 1.00 0.00 C ATOM 246 C ASN A 18 4.652 -9.292 0.118 1.00 0.00 C ATOM 247 O ASN A 18 4.270 -8.735 1.128 1.00 0.00 O ATOM 248 CB ASN A 18 6.529 -10.920 0.328 1.00 0.00 C ATOM 249 CG ASN A 18 7.697 -11.449 -0.506 1.00 0.00 C ATOM 250 OD1 ASN A 18 7.820 -11.152 -1.678 1.00 0.00 O ATOM 251 ND2 ASN A 18 8.554 -12.235 0.088 1.00 0.00 N ATOM 0 H ASN A 18 7.535 -8.877 1.338 1.00 0.00 H new ATOM 0 HA ASN A 18 6.345 -9.419 -1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.806 -10.892 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.675 -11.591 0.241 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.432 -12.471 1.073 1.00 0.00 H new ATOM 257 N CYS A 19 3.806 -9.727 -0.777 1.00 0.00 N ATOM 258 CA CYS A 19 2.342 -9.545 -0.569 1.00 0.00 C ATOM 259 C CYS A 19 1.595 -10.755 -1.136 1.00 0.00 C ATOM 260 O CYS A 19 0.993 -10.688 -2.190 1.00 0.00 O ATOM 261 CB CYS A 19 1.876 -8.273 -1.283 1.00 0.00 C ATOM 262 SG CYS A 19 1.140 -7.141 -0.076 1.00 0.00 S ATOM 0 H CYS A 19 4.066 -10.200 -1.642 1.00 0.00 H new ATOM 0 HA CYS A 19 2.134 -9.456 0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.718 -7.793 -1.781 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.148 -8.522 -2.055 1.00 0.00 H new ATOM 267 N SER A 20 1.631 -11.862 -0.445 1.00 0.00 N ATOM 268 CA SER A 20 0.926 -13.077 -0.944 1.00 0.00 C ATOM 269 C SER A 20 -0.103 -13.534 0.093 1.00 0.00 C ATOM 270 O SER A 20 0.239 -14.058 1.134 1.00 0.00 O ATOM 271 CB SER A 20 1.940 -14.195 -1.180 1.00 0.00 C ATOM 272 OG SER A 20 2.965 -13.725 -2.046 1.00 0.00 O ATOM 0 H SER A 20 2.118 -11.977 0.444 1.00 0.00 H new ATOM 0 HA SER A 20 0.419 -12.842 -1.880 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.369 -14.518 -0.232 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.447 -15.062 -1.619 1.00 0.00 H new ATOM 0 HG SER A 20 3.618 -14.440 -2.198 1.00 0.00 H new ATOM 278 N SER A 21 -1.363 -13.338 -0.186 1.00 0.00 N ATOM 279 CA SER A 21 -2.420 -13.757 0.778 1.00 0.00 C ATOM 280 C SER A 21 -3.742 -13.103 0.377 1.00 0.00 C ATOM 281 O SER A 21 -4.766 -13.750 0.277 1.00 0.00 O ATOM 282 CB SER A 21 -2.036 -13.308 2.189 1.00 0.00 C ATOM 283 OG SER A 21 -3.205 -13.241 2.995 1.00 0.00 O ATOM 0 H SER A 21 -1.707 -12.904 -1.043 1.00 0.00 H new ATOM 0 HA SER A 21 -2.523 -14.842 0.764 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.321 -14.006 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.549 -12.334 2.153 1.00 0.00 H new ATOM 0 HG SER A 21 -2.962 -12.955 3.900 1.00 0.00 H new ATOM 289 N ASP A 22 -3.722 -11.822 0.137 1.00 0.00 N ATOM 290 CA ASP A 22 -4.966 -11.112 -0.266 1.00 0.00 C ATOM 291 C ASP A 22 -4.599 -9.997 -1.246 1.00 0.00 C ATOM 292 O ASP A 22 -5.178 -8.929 -1.236 1.00 0.00 O ATOM 293 CB ASP A 22 -5.636 -10.509 0.969 1.00 0.00 C ATOM 294 CG ASP A 22 -7.146 -10.419 0.739 1.00 0.00 C ATOM 295 OD1 ASP A 22 -7.601 -10.918 -0.278 1.00 0.00 O ATOM 296 OD2 ASP A 22 -7.822 -9.853 1.582 1.00 0.00 O ATOM 0 H ASP A 22 -2.892 -11.233 0.203 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.656 -11.811 -0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.427 -11.123 1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.228 -9.518 1.169 1.00 0.00 H new ATOM 301 N PHE A 23 -3.631 -10.239 -2.088 1.00 0.00 N ATOM 302 CA PHE A 23 -3.213 -9.197 -3.066 1.00 0.00 C ATOM 303 C PHE A 23 -2.983 -9.842 -4.434 1.00 0.00 C ATOM 304 O PHE A 23 -2.679 -11.014 -4.537 1.00 0.00 O ATOM 305 CB PHE A 23 -1.915 -8.546 -2.584 1.00 0.00 C ATOM 306 CG PHE A 23 -1.940 -8.431 -1.079 1.00 0.00 C ATOM 307 CD1 PHE A 23 -2.522 -7.312 -0.472 1.00 0.00 C ATOM 308 CD2 PHE A 23 -1.383 -9.445 -0.291 1.00 0.00 C ATOM 309 CE1 PHE A 23 -2.547 -7.207 0.923 1.00 0.00 C ATOM 310 CE2 PHE A 23 -1.408 -9.340 1.105 1.00 0.00 C ATOM 311 CZ PHE A 23 -1.991 -8.221 1.713 1.00 0.00 C ATOM 0 H PHE A 23 -3.111 -11.115 -2.140 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.993 -8.441 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.058 -9.141 -2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.801 -7.559 -3.033 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.952 -6.530 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.934 -10.308 -0.760 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.995 -6.343 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.978 -10.122 1.713 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.012 -8.140 2.790 1.00 0.00 H new ATOM 321 N ASP A 24 -3.126 -9.086 -5.486 1.00 0.00 N ATOM 322 CA ASP A 24 -2.913 -9.652 -6.847 1.00 0.00 C ATOM 323 C ASP A 24 -2.526 -8.528 -7.809 1.00 0.00 C ATOM 324 O ASP A 24 -2.685 -8.642 -9.008 1.00 0.00 O ATOM 325 CB ASP A 24 -4.207 -10.312 -7.334 1.00 0.00 C ATOM 326 CG ASP A 24 -3.893 -11.703 -7.890 1.00 0.00 C ATOM 327 OD1 ASP A 24 -2.866 -11.845 -8.532 1.00 0.00 O ATOM 328 OD2 ASP A 24 -4.686 -12.603 -7.664 1.00 0.00 O ATOM 0 H ASP A 24 -3.382 -8.099 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.116 -10.395 -6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.920 -10.389 -6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.674 -9.698 -8.104 1.00 0.00 H new ATOM 333 N ALA A 25 -2.024 -7.438 -7.293 1.00 0.00 N ATOM 334 CA ALA A 25 -1.633 -6.310 -8.184 1.00 0.00 C ATOM 335 C ALA A 25 -1.081 -5.153 -7.347 1.00 0.00 C ATOM 336 O ALA A 25 -1.793 -4.536 -6.582 1.00 0.00 O ATOM 337 CB ALA A 25 -2.867 -5.832 -8.953 1.00 0.00 C ATOM 0 H ALA A 25 -1.869 -7.281 -6.297 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.865 -6.647 -8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.590 -5.006 -9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.263 -6.652 -9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.628 -5.497 -8.248 1.00 0.00 H new ATOM 343 N CYS A 26 0.179 -4.840 -7.496 1.00 0.00 N ATOM 344 CA CYS A 26 0.751 -3.709 -6.713 1.00 0.00 C ATOM 345 C CYS A 26 -0.008 -2.438 -7.079 1.00 0.00 C ATOM 346 O CYS A 26 -0.630 -2.355 -8.119 1.00 0.00 O ATOM 347 CB CYS A 26 2.234 -3.529 -7.052 1.00 0.00 C ATOM 348 SG CYS A 26 3.151 -5.041 -6.660 1.00 0.00 S ATOM 0 H CYS A 26 0.831 -5.315 -8.121 1.00 0.00 H new ATOM 0 HA CYS A 26 0.658 -3.916 -5.647 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.347 -3.290 -8.109 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.644 -2.690 -6.490 1.00 0.00 H new ATOM 353 N LEU A 27 0.021 -1.454 -6.233 1.00 0.00 N ATOM 354 CA LEU A 27 -0.721 -0.201 -6.543 1.00 0.00 C ATOM 355 C LEU A 27 0.195 1.015 -6.402 1.00 0.00 C ATOM 356 O LEU A 27 0.879 1.187 -5.413 1.00 0.00 O ATOM 357 CB LEU A 27 -1.901 -0.073 -5.580 1.00 0.00 C ATOM 358 CG LEU A 27 -2.603 1.269 -5.785 1.00 0.00 C ATOM 359 CD1 LEU A 27 -3.729 1.104 -6.807 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.192 1.735 -4.452 1.00 0.00 C ATOM 0 H LEU A 27 0.522 -1.459 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.081 -0.242 -7.571 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.605 -0.889 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.551 -0.156 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.887 2.006 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.230 2.061 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.313 0.763 -7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.447 0.370 -6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.694 2.692 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.910 0.997 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.392 1.848 -3.720 1.00 0.00 H new ATOM 372 N ILE A 28 0.193 1.867 -7.390 1.00 0.00 N ATOM 373 CA ILE A 28 1.036 3.093 -7.337 1.00 0.00 C ATOM 374 C ILE A 28 0.128 4.303 -7.562 1.00 0.00 C ATOM 375 O ILE A 28 -0.182 4.660 -8.682 1.00 0.00 O ATOM 376 CB ILE A 28 2.105 3.027 -8.433 1.00 0.00 C ATOM 377 CG1 ILE A 28 2.688 4.422 -8.675 1.00 0.00 C ATOM 378 CG2 ILE A 28 1.474 2.508 -9.726 1.00 0.00 C ATOM 379 CD1 ILE A 28 3.304 4.953 -7.379 1.00 0.00 C ATOM 0 H ILE A 28 -0.362 1.764 -8.239 1.00 0.00 H new ATOM 0 HA ILE A 28 1.534 3.174 -6.371 1.00 0.00 H new ATOM 0 HB ILE A 28 2.903 2.355 -8.118 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.445 4.380 -9.459 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.907 5.098 -9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.232 2.460 -10.507 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.064 1.512 -9.557 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.675 3.181 -10.037 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.718 5.946 -7.553 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.536 5.011 -6.608 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.097 4.281 -7.051 1.00 0.00 H new ATOM 391 N THR A 29 -0.324 4.921 -6.506 1.00 0.00 N ATOM 392 CA THR A 29 -1.236 6.089 -6.655 1.00 0.00 C ATOM 393 C THR A 29 -0.472 7.393 -6.409 1.00 0.00 C ATOM 394 O THR A 29 0.519 7.427 -5.706 1.00 0.00 O ATOM 395 CB THR A 29 -2.380 5.954 -5.643 1.00 0.00 C ATOM 396 OG1 THR A 29 -3.317 5.000 -6.121 1.00 0.00 O ATOM 397 CG2 THR A 29 -3.078 7.302 -5.449 1.00 0.00 C ATOM 0 H THR A 29 -0.100 4.666 -5.544 1.00 0.00 H new ATOM 0 HA THR A 29 -1.638 6.112 -7.668 1.00 0.00 H new ATOM 0 HB THR A 29 -1.973 5.627 -4.686 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.049 4.909 -5.476 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.888 7.192 -4.728 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.360 8.034 -5.079 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.484 7.642 -6.402 1.00 0.00 H new ATOM 405 N LYS A 30 -0.940 8.467 -6.984 1.00 0.00 N ATOM 406 CA LYS A 30 -0.267 9.782 -6.794 1.00 0.00 C ATOM 407 C LYS A 30 -1.310 10.895 -6.920 1.00 0.00 C ATOM 408 O LYS A 30 -1.555 11.410 -7.992 1.00 0.00 O ATOM 409 CB LYS A 30 0.809 9.972 -7.867 1.00 0.00 C ATOM 410 CG LYS A 30 2.132 9.374 -7.382 1.00 0.00 C ATOM 411 CD LYS A 30 3.081 9.202 -8.570 1.00 0.00 C ATOM 412 CE LYS A 30 3.560 10.575 -9.046 1.00 0.00 C ATOM 413 NZ LYS A 30 2.799 10.970 -10.266 1.00 0.00 N ATOM 0 H LYS A 30 -1.766 8.489 -7.582 1.00 0.00 H new ATOM 0 HA LYS A 30 0.199 9.816 -5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.500 9.491 -8.795 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.936 11.032 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.584 10.024 -6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.954 8.411 -6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.934 8.588 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.573 8.681 -9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.416 11.315 -8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.628 10.544 -9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.630 11.996 -10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.348 10.721 -11.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.888 10.469 -10.284 1.00 0.00 H new ATOM 427 N ALA A 31 -1.929 11.265 -5.832 1.00 0.00 N ATOM 428 CA ALA A 31 -2.960 12.340 -5.889 1.00 0.00 C ATOM 429 C ALA A 31 -2.277 13.707 -5.798 1.00 0.00 C ATOM 430 O ALA A 31 -2.465 14.443 -4.851 1.00 0.00 O ATOM 431 CB ALA A 31 -3.930 12.179 -4.716 1.00 0.00 C ATOM 0 H ALA A 31 -1.765 10.869 -4.906 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.508 12.268 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.684 12.965 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.417 11.206 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.381 12.252 -3.777 1.00 0.00 H new ATOM 437 N GLY A 32 -1.484 14.050 -6.776 1.00 0.00 N ATOM 438 CA GLY A 32 -0.790 15.368 -6.744 1.00 0.00 C ATOM 439 C GLY A 32 0.634 15.179 -6.218 1.00 0.00 C ATOM 440 O GLY A 32 1.562 14.961 -6.971 1.00 0.00 O ATOM 0 H GLY A 32 -1.287 13.475 -7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.766 15.803 -7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.336 16.064 -6.107 1.00 0.00 H new ATOM 444 N LEU A 33 0.814 15.263 -4.927 1.00 0.00 N ATOM 445 CA LEU A 33 2.178 15.087 -4.352 1.00 0.00 C ATOM 446 C LEU A 33 2.136 14.023 -3.254 1.00 0.00 C ATOM 447 O LEU A 33 3.021 13.935 -2.426 1.00 0.00 O ATOM 448 CB LEU A 33 2.654 16.415 -3.757 1.00 0.00 C ATOM 449 CG LEU A 33 2.160 17.570 -4.627 1.00 0.00 C ATOM 450 CD1 LEU A 33 1.041 18.318 -3.898 1.00 0.00 C ATOM 451 CD2 LEU A 33 3.320 18.529 -4.903 1.00 0.00 C ATOM 0 H LEU A 33 0.076 15.446 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 33 2.866 14.771 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.278 16.525 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.742 16.430 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 33 1.778 17.178 -5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.689 19.142 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.215 17.634 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.421 18.711 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.970 19.354 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.701 18.921 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.117 17.996 -5.423 1.00 0.00 H new ATOM 463 N GLN A 34 1.113 13.213 -3.239 1.00 0.00 N ATOM 464 CA GLN A 34 1.014 12.155 -2.195 1.00 0.00 C ATOM 465 C GLN A 34 1.032 10.777 -2.860 1.00 0.00 C ATOM 466 O GLN A 34 0.102 10.395 -3.542 1.00 0.00 O ATOM 467 CB GLN A 34 -0.291 12.326 -1.415 1.00 0.00 C ATOM 468 CG GLN A 34 -0.389 13.760 -0.892 1.00 0.00 C ATOM 469 CD GLN A 34 -1.836 14.242 -0.993 1.00 0.00 C ATOM 470 OE1 GLN A 34 -2.734 13.626 -0.455 1.00 0.00 O ATOM 471 NE2 GLN A 34 -2.105 15.327 -1.668 1.00 0.00 N ATOM 0 H GLN A 34 0.341 13.238 -3.905 1.00 0.00 H new ATOM 0 HA GLN A 34 1.859 12.241 -1.512 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.143 12.103 -2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.325 11.621 -0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.051 13.805 0.143 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.265 14.414 -1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.352 15.846 -2.121 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.068 15.656 -1.743 1.00 0.00 H new ATOM 480 N VAL A 35 2.081 10.027 -2.664 1.00 0.00 N ATOM 481 CA VAL A 35 2.153 8.674 -3.283 1.00 0.00 C ATOM 482 C VAL A 35 1.626 7.636 -2.292 1.00 0.00 C ATOM 483 O VAL A 35 2.006 7.616 -1.139 1.00 0.00 O ATOM 484 CB VAL A 35 3.604 8.350 -3.637 1.00 0.00 C ATOM 485 CG1 VAL A 35 3.700 6.906 -4.130 1.00 0.00 C ATOM 486 CG2 VAL A 35 4.081 9.296 -4.741 1.00 0.00 C ATOM 0 H VAL A 35 2.890 10.292 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 35 1.547 8.655 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 35 4.230 8.474 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.735 6.676 -4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.359 6.230 -3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.075 6.781 -5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.116 9.066 -4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.454 9.170 -5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.013 10.326 -4.392 1.00 0.00 H new ATOM 496 N TYR A 36 0.755 6.772 -2.732 1.00 0.00 N ATOM 497 CA TYR A 36 0.207 5.736 -1.813 1.00 0.00 C ATOM 498 C TYR A 36 0.703 4.357 -2.246 1.00 0.00 C ATOM 499 O TYR A 36 0.035 3.644 -2.969 1.00 0.00 O ATOM 500 CB TYR A 36 -1.321 5.767 -1.860 1.00 0.00 C ATOM 501 CG TYR A 36 -1.820 7.038 -1.219 1.00 0.00 C ATOM 502 CD1 TYR A 36 -1.606 8.270 -1.847 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.497 6.983 0.004 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.069 9.448 -1.252 1.00 0.00 C ATOM 505 CE2 TYR A 36 -2.962 8.161 0.600 1.00 0.00 C ATOM 506 CZ TYR A 36 -2.747 9.394 -0.029 1.00 0.00 C ATOM 507 OH TYR A 36 -3.205 10.556 0.558 1.00 0.00 O ATOM 0 H TYR A 36 0.399 6.738 -3.687 1.00 0.00 H new ATOM 0 HA TYR A 36 0.542 5.940 -0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.665 5.709 -2.893 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.729 4.901 -1.339 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.083 8.311 -2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.661 6.032 0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.903 10.399 -1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.486 8.119 1.544 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.918 11.327 0.025 1.00 0.00 H new ATOM 517 N ASN A 37 1.870 3.976 -1.809 1.00 0.00 N ATOM 518 CA ASN A 37 2.410 2.643 -2.192 1.00 0.00 C ATOM 519 C ASN A 37 1.765 1.566 -1.320 1.00 0.00 C ATOM 520 O ASN A 37 2.034 1.467 -0.138 1.00 0.00 O ATOM 521 CB ASN A 37 3.927 2.625 -1.986 1.00 0.00 C ATOM 522 CG ASN A 37 4.535 3.910 -2.548 1.00 0.00 C ATOM 523 OD1 ASN A 37 4.172 4.347 -3.623 1.00 0.00 O ATOM 524 ND2 ASN A 37 5.450 4.539 -1.863 1.00 0.00 N ATOM 0 H ASN A 37 2.474 4.531 -1.202 1.00 0.00 H new ATOM 0 HA ASN A 37 2.186 2.448 -3.241 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.159 2.534 -0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.362 1.757 -2.483 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.861 5.398 -2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.754 4.172 -0.961 1.00 0.00 H new ATOM 531 N LYS A 38 0.911 0.760 -1.888 1.00 0.00 N ATOM 532 CA LYS A 38 0.248 -0.305 -1.085 1.00 0.00 C ATOM 533 C LYS A 38 -0.137 -1.476 -1.987 1.00 0.00 C ATOM 534 O LYS A 38 -0.188 -1.361 -3.197 1.00 0.00 O ATOM 535 CB LYS A 38 -1.011 0.267 -0.429 1.00 0.00 C ATOM 536 CG LYS A 38 -0.792 0.385 1.081 1.00 0.00 C ATOM 537 CD LYS A 38 -2.069 0.904 1.744 1.00 0.00 C ATOM 538 CE LYS A 38 -2.099 2.432 1.670 1.00 0.00 C ATOM 539 NZ LYS A 38 -1.835 3.001 3.022 1.00 0.00 N ATOM 0 H LYS A 38 0.644 0.793 -2.872 1.00 0.00 H new ATOM 0 HA LYS A 38 0.937 -0.658 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.241 1.245 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.866 -0.378 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.523 -0.586 1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.038 1.061 1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.945 0.488 1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.109 0.579 2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.350 2.787 0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.069 2.770 1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.855 4.040 2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.565 2.672 3.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.900 2.689 3.353 1.00 0.00 H new ATOM 553 N CYS A 39 -0.413 -2.604 -1.396 1.00 0.00 N ATOM 554 CA CYS A 39 -0.805 -3.799 -2.197 1.00 0.00 C ATOM 555 C CYS A 39 -2.267 -3.658 -2.617 1.00 0.00 C ATOM 556 O CYS A 39 -3.083 -3.141 -1.881 1.00 0.00 O ATOM 557 CB CYS A 39 -0.645 -5.062 -1.347 1.00 0.00 C ATOM 558 SG CYS A 39 1.110 -5.355 -1.017 1.00 0.00 S ATOM 0 H CYS A 39 -0.384 -2.752 -0.387 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.169 -3.873 -3.079 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.188 -4.952 -0.408 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.076 -5.918 -1.866 1.00 0.00 H new ATOM 563 N TRP A 40 -2.612 -4.100 -3.795 1.00 0.00 N ATOM 564 CA TRP A 40 -4.019 -3.970 -4.242 1.00 0.00 C ATOM 565 C TRP A 40 -4.377 -5.130 -5.177 1.00 0.00 C ATOM 566 O TRP A 40 -3.515 -5.821 -5.684 1.00 0.00 O ATOM 567 CB TRP A 40 -4.168 -2.641 -4.969 1.00 0.00 C ATOM 568 CG TRP A 40 -5.544 -2.125 -4.759 1.00 0.00 C ATOM 569 CD1 TRP A 40 -6.622 -2.523 -5.455 1.00 0.00 C ATOM 570 CD2 TRP A 40 -6.007 -1.135 -3.800 1.00 0.00 C ATOM 571 NE1 TRP A 40 -7.731 -1.834 -4.990 1.00 0.00 N ATOM 572 CE2 TRP A 40 -7.400 -0.967 -3.966 1.00 0.00 C ATOM 573 CE3 TRP A 40 -5.357 -0.374 -2.812 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.126 -0.073 -3.177 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -6.083 0.525 -2.017 1.00 0.00 C ATOM 576 CH2 TRP A 40 -7.465 0.676 -2.199 1.00 0.00 C ATOM 0 H TRP A 40 -1.980 -4.543 -4.462 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.692 -4.001 -3.385 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.436 -1.924 -4.596 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.973 -2.771 -6.034 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.624 -3.258 -6.246 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -8.675 -1.952 -5.358 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.293 -0.482 -2.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -9.190 0.039 -3.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.575 1.104 -1.260 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -8.018 1.370 -1.584 1.00 0.00 H new ATOM 587 N LYS A 41 -5.645 -5.356 -5.400 1.00 0.00 N ATOM 588 CA LYS A 41 -6.057 -6.478 -6.291 1.00 0.00 C ATOM 589 C LYS A 41 -6.382 -5.947 -7.689 1.00 0.00 C ATOM 590 O LYS A 41 -6.536 -4.760 -7.894 1.00 0.00 O ATOM 591 CB LYS A 41 -7.295 -7.164 -5.709 1.00 0.00 C ATOM 592 CG LYS A 41 -6.921 -8.574 -5.248 1.00 0.00 C ATOM 593 CD LYS A 41 -7.932 -9.058 -4.207 1.00 0.00 C ATOM 594 CE LYS A 41 -7.281 -9.054 -2.824 1.00 0.00 C ATOM 595 NZ LYS A 41 -8.273 -8.590 -1.813 1.00 0.00 N ATOM 0 H LYS A 41 -6.412 -4.812 -5.004 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.238 -7.194 -6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.685 -6.586 -4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.085 -7.211 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.907 -9.254 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.917 -8.574 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.810 -8.412 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.275 -10.062 -4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.929 -10.054 -2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.409 -8.400 -2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.862 -7.817 -1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.129 -8.250 -2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.522 -9.379 -1.183 1.00 0.00 H new ATOM 609 N PHE A 42 -6.492 -6.824 -8.651 1.00 0.00 N ATOM 610 CA PHE A 42 -6.812 -6.386 -10.036 1.00 0.00 C ATOM 611 C PHE A 42 -8.317 -6.159 -10.159 1.00 0.00 C ATOM 612 O PHE A 42 -8.767 -5.286 -10.872 1.00 0.00 O ATOM 613 CB PHE A 42 -6.377 -7.466 -11.029 1.00 0.00 C ATOM 614 CG PHE A 42 -6.218 -6.855 -12.400 1.00 0.00 C ATOM 615 CD1 PHE A 42 -5.289 -5.827 -12.605 1.00 0.00 C ATOM 616 CD2 PHE A 42 -6.998 -7.315 -13.467 1.00 0.00 C ATOM 617 CE1 PHE A 42 -5.141 -5.260 -13.876 1.00 0.00 C ATOM 618 CE2 PHE A 42 -6.851 -6.747 -14.739 1.00 0.00 C ATOM 619 CZ PHE A 42 -5.922 -5.719 -14.943 1.00 0.00 C ATOM 0 H PHE A 42 -6.373 -7.830 -8.534 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.283 -5.459 -10.256 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.436 -7.913 -10.707 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.117 -8.266 -11.059 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.687 -5.472 -11.782 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.714 -8.108 -13.310 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.424 -4.468 -14.034 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.454 -7.102 -15.562 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.808 -5.281 -15.923 1.00 0.00 H new ATOM 629 N GLU A 43 -9.100 -6.944 -9.469 1.00 0.00 N ATOM 630 CA GLU A 43 -10.575 -6.773 -9.552 1.00 0.00 C ATOM 631 C GLU A 43 -10.965 -5.442 -8.908 1.00 0.00 C ATOM 632 O GLU A 43 -12.008 -4.886 -9.190 1.00 0.00 O ATOM 633 CB GLU A 43 -11.270 -7.927 -8.823 1.00 0.00 C ATOM 634 CG GLU A 43 -10.846 -7.937 -7.354 1.00 0.00 C ATOM 635 CD GLU A 43 -10.225 -9.293 -7.010 1.00 0.00 C ATOM 636 OE1 GLU A 43 -9.397 -9.753 -7.779 1.00 0.00 O ATOM 637 OE2 GLU A 43 -10.589 -9.847 -5.987 1.00 0.00 O ATOM 0 H GLU A 43 -8.782 -7.693 -8.854 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.885 -6.775 -10.597 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.352 -7.819 -8.899 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.011 -8.876 -9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.128 -7.138 -7.166 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.708 -7.747 -6.715 1.00 0.00 H new ATOM 644 N HIS A 44 -10.128 -4.922 -8.052 1.00 0.00 N ATOM 645 CA HIS A 44 -10.438 -3.621 -7.395 1.00 0.00 C ATOM 646 C HIS A 44 -9.643 -2.511 -8.086 1.00 0.00 C ATOM 647 O HIS A 44 -9.466 -1.435 -7.551 1.00 0.00 O ATOM 648 CB HIS A 44 -10.042 -3.684 -5.919 1.00 0.00 C ATOM 649 CG HIS A 44 -10.716 -4.855 -5.260 1.00 0.00 C ATOM 650 ND1 HIS A 44 -10.371 -5.286 -3.989 1.00 0.00 N ATOM 651 CD2 HIS A 44 -11.716 -5.694 -5.681 1.00 0.00 C ATOM 652 CE1 HIS A 44 -11.153 -6.341 -3.691 1.00 0.00 C ATOM 653 NE2 HIS A 44 -11.992 -6.631 -4.688 1.00 0.00 N ATOM 0 H HIS A 44 -9.240 -5.344 -7.779 1.00 0.00 H new ATOM 0 HA HIS A 44 -11.506 -3.417 -7.474 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.960 -3.777 -5.827 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.326 -2.759 -5.417 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.214 -5.637 -6.638 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.107 -6.886 -2.760 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.686 -7.378 -4.717 1.00 0.00 H new ATOM 661 N CYS A 45 -9.160 -2.768 -9.271 1.00 0.00 N ATOM 662 CA CYS A 45 -8.371 -1.733 -9.996 1.00 0.00 C ATOM 663 C CYS A 45 -9.289 -0.934 -10.918 1.00 0.00 C ATOM 664 O CYS A 45 -9.390 -1.204 -12.100 1.00 0.00 O ATOM 665 CB CYS A 45 -7.279 -2.408 -10.825 1.00 0.00 C ATOM 666 SG CYS A 45 -5.896 -2.853 -9.747 1.00 0.00 S ATOM 0 H CYS A 45 -9.278 -3.651 -9.768 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.914 -1.059 -9.271 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.675 -3.298 -11.313 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.939 -1.737 -11.614 1.00 0.00 H new ATOM 671 N ASN A 46 -9.958 0.050 -10.389 1.00 0.00 N ATOM 672 CA ASN A 46 -10.869 0.873 -11.233 1.00 0.00 C ATOM 673 C ASN A 46 -10.968 2.276 -10.636 1.00 0.00 C ATOM 674 O ASN A 46 -10.403 2.560 -9.598 1.00 0.00 O ATOM 675 CB ASN A 46 -12.260 0.232 -11.268 1.00 0.00 C ATOM 676 CG ASN A 46 -12.132 -1.286 -11.130 1.00 0.00 C ATOM 677 OD1 ASN A 46 -12.151 -2.001 -12.112 1.00 0.00 O ATOM 678 ND2 ASN A 46 -12.000 -1.813 -9.943 1.00 0.00 N ATOM 0 H ASN A 46 -9.914 0.321 -9.407 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.476 0.930 -12.248 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.875 0.630 -10.460 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -12.762 0.481 -12.203 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.913 -2.824 -9.841 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.984 -1.214 -9.118 1.00 0.00 H new ATOM 685 N PHE A 47 -11.680 3.159 -11.280 1.00 0.00 N ATOM 686 CA PHE A 47 -11.809 4.540 -10.740 1.00 0.00 C ATOM 687 C PHE A 47 -12.966 4.580 -9.742 1.00 0.00 C ATOM 688 O PHE A 47 -13.821 5.443 -9.797 1.00 0.00 O ATOM 689 CB PHE A 47 -12.082 5.517 -11.886 1.00 0.00 C ATOM 690 CG PHE A 47 -11.282 6.778 -11.669 1.00 0.00 C ATOM 691 CD1 PHE A 47 -11.597 7.632 -10.605 1.00 0.00 C ATOM 692 CD2 PHE A 47 -10.222 7.094 -12.529 1.00 0.00 C ATOM 693 CE1 PHE A 47 -10.855 8.801 -10.401 1.00 0.00 C ATOM 694 CE2 PHE A 47 -9.480 8.263 -12.325 1.00 0.00 C ATOM 695 CZ PHE A 47 -9.795 9.117 -11.261 1.00 0.00 C ATOM 0 H PHE A 47 -12.176 2.984 -12.154 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.884 4.827 -10.240 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.813 5.062 -12.839 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -13.145 5.751 -11.934 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -12.413 7.388 -9.941 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.978 6.435 -13.349 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.099 9.460 -9.581 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.664 8.507 -12.989 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.221 10.018 -11.103 1.00 0.00 H new ATOM 705 N ASN A 48 -12.998 3.648 -8.828 1.00 0.00 N ATOM 706 CA ASN A 48 -14.096 3.620 -7.822 1.00 0.00 C ATOM 707 C ASN A 48 -13.705 2.691 -6.668 1.00 0.00 C ATOM 708 O ASN A 48 -14.007 2.951 -5.521 1.00 0.00 O ATOM 709 CB ASN A 48 -15.375 3.102 -8.483 1.00 0.00 C ATOM 710 CG ASN A 48 -16.592 3.773 -7.842 1.00 0.00 C ATOM 711 OD1 ASN A 48 -17.109 4.741 -8.362 1.00 0.00 O ATOM 712 ND2 ASN A 48 -17.072 3.297 -6.726 1.00 0.00 N ATOM 0 H ASN A 48 -12.308 2.903 -8.735 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.266 4.626 -7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.354 3.310 -9.553 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.442 2.020 -8.370 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.882 3.738 -6.290 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.637 2.484 -6.290 1.00 0.00 H new ATOM 719 N ASP A 49 -13.038 1.607 -6.966 1.00 0.00 N ATOM 720 CA ASP A 49 -12.631 0.663 -5.888 1.00 0.00 C ATOM 721 C ASP A 49 -11.539 1.302 -5.027 1.00 0.00 C ATOM 722 O ASP A 49 -11.595 1.272 -3.814 1.00 0.00 O ATOM 723 CB ASP A 49 -12.095 -0.626 -6.518 1.00 0.00 C ATOM 724 CG ASP A 49 -13.237 -1.631 -6.681 1.00 0.00 C ATOM 725 OD1 ASP A 49 -13.978 -1.817 -5.728 1.00 0.00 O ATOM 726 OD2 ASP A 49 -13.352 -2.199 -7.755 1.00 0.00 O ATOM 0 H ASP A 49 -12.758 1.336 -7.909 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.494 0.434 -5.263 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.646 -0.410 -7.488 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.310 -1.050 -5.891 1.00 0.00 H new ATOM 731 N VAL A 50 -10.542 1.878 -5.644 1.00 0.00 N ATOM 732 CA VAL A 50 -9.446 2.515 -4.856 1.00 0.00 C ATOM 733 C VAL A 50 -9.941 3.831 -4.250 1.00 0.00 C ATOM 734 O VAL A 50 -9.674 4.137 -3.106 1.00 0.00 O ATOM 735 CB VAL A 50 -8.254 2.799 -5.773 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.169 3.534 -4.984 1.00 0.00 C ATOM 737 CG2 VAL A 50 -7.690 1.479 -6.302 1.00 0.00 C ATOM 0 H VAL A 50 -10.439 1.935 -6.657 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.141 1.839 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.579 3.417 -6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.319 3.737 -5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.569 4.475 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.845 2.915 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.841 1.682 -6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.365 0.861 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.462 0.952 -6.863 1.00 0.00 H new ATOM 747 N THR A 51 -10.655 4.615 -5.012 1.00 0.00 N ATOM 748 CA THR A 51 -11.158 5.915 -4.482 1.00 0.00 C ATOM 749 C THR A 51 -12.130 5.663 -3.325 1.00 0.00 C ATOM 750 O THR A 51 -12.513 6.574 -2.617 1.00 0.00 O ATOM 751 CB THR A 51 -11.881 6.673 -5.598 1.00 0.00 C ATOM 752 OG1 THR A 51 -12.628 5.755 -6.384 1.00 0.00 O ATOM 753 CG2 THR A 51 -10.854 7.387 -6.480 1.00 0.00 C ATOM 0 H THR A 51 -10.912 4.412 -5.978 1.00 0.00 H new ATOM 0 HA THR A 51 -10.316 6.507 -4.122 1.00 0.00 H new ATOM 0 HB THR A 51 -12.555 7.410 -5.161 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.689 6.087 -7.304 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.369 7.927 -7.275 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.282 8.091 -5.875 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.178 6.653 -6.919 1.00 0.00 H new ATOM 761 N THR A 52 -12.532 4.439 -3.126 1.00 0.00 N ATOM 762 CA THR A 52 -13.478 4.136 -2.018 1.00 0.00 C ATOM 763 C THR A 52 -12.708 3.569 -0.824 1.00 0.00 C ATOM 764 O THR A 52 -12.907 3.973 0.304 1.00 0.00 O ATOM 765 CB THR A 52 -14.495 3.101 -2.493 1.00 0.00 C ATOM 766 OG1 THR A 52 -15.232 3.629 -3.586 1.00 0.00 O ATOM 767 CG2 THR A 52 -15.446 2.758 -1.349 1.00 0.00 C ATOM 0 H THR A 52 -12.246 3.635 -3.684 1.00 0.00 H new ATOM 0 HA THR A 52 -13.990 5.051 -1.720 1.00 0.00 H new ATOM 0 HB THR A 52 -13.974 2.198 -2.811 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.041 3.106 -4.392 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.172 2.019 -1.688 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.877 2.351 -0.513 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.969 3.659 -1.028 1.00 0.00 H new ATOM 775 N ARG A 53 -11.832 2.632 -1.064 1.00 0.00 N ATOM 776 CA ARG A 53 -11.053 2.037 0.056 1.00 0.00 C ATOM 777 C ARG A 53 -10.294 3.145 0.786 1.00 0.00 C ATOM 778 O ARG A 53 -10.298 3.218 1.998 1.00 0.00 O ATOM 779 CB ARG A 53 -10.060 1.018 -0.504 1.00 0.00 C ATOM 780 CG ARG A 53 -10.659 -0.386 -0.399 1.00 0.00 C ATOM 781 CD ARG A 53 -11.928 -0.462 -1.247 1.00 0.00 C ATOM 782 NE ARG A 53 -13.079 -0.848 -0.385 1.00 0.00 N ATOM 783 CZ ARG A 53 -14.271 -0.963 -0.901 1.00 0.00 C ATOM 784 NH1 ARG A 53 -14.409 -1.165 -2.183 1.00 0.00 N ATOM 785 NH2 ARG A 53 -15.325 -0.875 -0.137 1.00 0.00 N ATOM 0 H ARG A 53 -11.623 2.253 -1.988 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.729 1.540 0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.831 1.251 -1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.121 1.067 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.936 -1.128 -0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.889 -0.618 0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.121 0.501 -1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.800 -1.190 -2.048 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.935 -1.023 0.610 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.585 -1.233 -2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.341 -1.255 -2.588 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.217 -0.716 0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.257 -0.965 -0.541 1.00 0.00 H new ATOM 799 N LEU A 54 -9.644 4.009 0.056 1.00 0.00 N ATOM 800 CA LEU A 54 -8.890 5.113 0.706 1.00 0.00 C ATOM 801 C LEU A 54 -9.864 6.220 1.116 1.00 0.00 C ATOM 802 O LEU A 54 -9.507 7.146 1.816 1.00 0.00 O ATOM 803 CB LEU A 54 -7.864 5.667 -0.278 1.00 0.00 C ATOM 804 CG LEU A 54 -7.109 4.504 -0.919 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.457 4.970 -2.221 1.00 0.00 C ATOM 806 CD2 LEU A 54 -6.029 4.008 0.044 1.00 0.00 C ATOM 0 H LEU A 54 -9.604 3.997 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.377 4.739 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.361 6.261 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.168 6.329 0.237 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.806 3.694 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.919 4.139 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.227 5.324 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.760 5.781 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.489 3.178 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.333 4.819 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.494 3.673 0.971 1.00 0.00 H new ATOM 818 N ARG A 55 -11.093 6.129 0.683 1.00 0.00 N ATOM 819 CA ARG A 55 -12.092 7.171 1.044 1.00 0.00 C ATOM 820 C ARG A 55 -11.727 8.490 0.358 1.00 0.00 C ATOM 821 O ARG A 55 -11.935 9.560 0.894 1.00 0.00 O ATOM 822 CB ARG A 55 -12.103 7.368 2.564 1.00 0.00 C ATOM 823 CG ARG A 55 -12.122 6.003 3.258 1.00 0.00 C ATOM 824 CD ARG A 55 -13.569 5.594 3.540 1.00 0.00 C ATOM 825 NE ARG A 55 -13.586 4.412 4.448 1.00 0.00 N ATOM 826 CZ ARG A 55 -12.811 3.389 4.207 1.00 0.00 C ATOM 827 NH1 ARG A 55 -13.178 2.482 3.342 1.00 0.00 N ATOM 828 NH2 ARG A 55 -11.671 3.273 4.830 1.00 0.00 N ATOM 0 H ARG A 55 -11.447 5.376 0.094 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.081 6.853 0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.224 7.933 2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.976 7.950 2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.638 5.256 2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.558 6.049 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.110 6.423 3.996 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.079 5.356 2.607 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.204 4.402 5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.070 2.573 2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.573 1.683 3.153 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.385 3.981 5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.066 2.474 4.642 1.00 0.00 H new ATOM 842 N GLU A 56 -11.186 8.418 -0.828 1.00 0.00 N ATOM 843 CA GLU A 56 -10.809 9.665 -1.556 1.00 0.00 C ATOM 844 C GLU A 56 -11.619 9.762 -2.850 1.00 0.00 C ATOM 845 O GLU A 56 -12.669 9.165 -2.982 1.00 0.00 O ATOM 846 CB GLU A 56 -9.316 9.631 -1.892 1.00 0.00 C ATOM 847 CG GLU A 56 -8.505 9.434 -0.609 1.00 0.00 C ATOM 848 CD GLU A 56 -7.176 10.184 -0.729 1.00 0.00 C ATOM 849 OE1 GLU A 56 -7.212 11.369 -1.019 1.00 0.00 O ATOM 850 OE2 GLU A 56 -6.146 9.561 -0.528 1.00 0.00 O ATOM 0 H GLU A 56 -10.988 7.549 -1.325 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.019 10.530 -0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.109 8.822 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.022 10.560 -2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.067 9.802 0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.323 8.373 -0.440 1.00 0.00 H new ATOM 857 N ASN A 57 -11.138 10.507 -3.808 1.00 0.00 N ATOM 858 CA ASN A 57 -11.882 10.639 -5.092 1.00 0.00 C ATOM 859 C ASN A 57 -10.917 11.063 -6.203 1.00 0.00 C ATOM 860 O ASN A 57 -10.722 10.355 -7.172 1.00 0.00 O ATOM 861 CB ASN A 57 -12.980 11.693 -4.941 1.00 0.00 C ATOM 862 CG ASN A 57 -14.269 11.182 -5.588 1.00 0.00 C ATOM 863 OD1 ASN A 57 -14.929 11.905 -6.306 1.00 0.00 O ATOM 864 ND2 ASN A 57 -14.657 9.956 -5.361 1.00 0.00 N ATOM 0 H ASN A 57 -10.263 11.029 -3.757 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.332 9.680 -5.349 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.150 11.908 -3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.670 12.627 -5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.515 9.605 -5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.102 9.349 -4.758 1.00 0.00 H new ATOM 871 N GLU A 58 -10.313 12.211 -6.072 1.00 0.00 N ATOM 872 CA GLU A 58 -9.363 12.678 -7.122 1.00 0.00 C ATOM 873 C GLU A 58 -7.976 12.094 -6.849 1.00 0.00 C ATOM 874 O GLU A 58 -7.326 12.444 -5.885 1.00 0.00 O ATOM 875 CB GLU A 58 -9.284 14.205 -7.099 1.00 0.00 C ATOM 876 CG GLU A 58 -10.585 14.793 -7.650 1.00 0.00 C ATOM 877 CD GLU A 58 -10.935 16.070 -6.882 1.00 0.00 C ATOM 878 OE1 GLU A 58 -10.524 16.181 -5.739 1.00 0.00 O ATOM 879 OE2 GLU A 58 -11.609 16.913 -7.451 1.00 0.00 O ATOM 0 H GLU A 58 -10.436 12.847 -5.284 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.713 12.347 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.117 14.556 -6.081 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.438 14.545 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.476 15.013 -8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.393 14.067 -7.557 1.00 0.00 H new ATOM 886 N LEU A 59 -7.518 11.206 -7.690 1.00 0.00 N ATOM 887 CA LEU A 59 -6.173 10.601 -7.477 1.00 0.00 C ATOM 888 C LEU A 59 -5.908 9.552 -8.558 1.00 0.00 C ATOM 889 O LEU A 59 -6.753 8.733 -8.863 1.00 0.00 O ATOM 890 CB LEU A 59 -6.127 9.933 -6.101 1.00 0.00 C ATOM 891 CG LEU A 59 -7.109 8.760 -6.068 1.00 0.00 C ATOM 892 CD1 LEU A 59 -6.361 7.457 -6.351 1.00 0.00 C ATOM 893 CD2 LEU A 59 -7.763 8.682 -4.687 1.00 0.00 C ATOM 0 H LEU A 59 -8.018 10.874 -8.515 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.413 11.380 -7.531 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.117 9.581 -5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.382 10.656 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.877 8.909 -6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.062 6.623 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.895 7.511 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.592 7.307 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.463 7.847 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.995 8.534 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.298 9.610 -4.485 1.00 0.00 H new ATOM 905 N THR A 60 -4.740 9.568 -9.140 1.00 0.00 N ATOM 906 CA THR A 60 -4.422 8.568 -10.198 1.00 0.00 C ATOM 907 C THR A 60 -3.973 7.262 -9.542 1.00 0.00 C ATOM 908 O THR A 60 -3.430 7.258 -8.456 1.00 0.00 O ATOM 909 CB THR A 60 -3.301 9.107 -11.089 1.00 0.00 C ATOM 910 OG1 THR A 60 -2.912 8.103 -12.014 1.00 0.00 O ATOM 911 CG2 THR A 60 -2.102 9.502 -10.226 1.00 0.00 C ATOM 0 H THR A 60 -3.993 10.230 -8.929 1.00 0.00 H new ATOM 0 HA THR A 60 -5.308 8.384 -10.805 1.00 0.00 H new ATOM 0 HB THR A 60 -3.657 9.983 -11.630 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.448 8.518 -12.771 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.305 9.885 -10.864 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.402 10.273 -9.517 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.742 8.629 -9.681 1.00 0.00 H new ATOM 919 N TYR A 61 -4.197 6.150 -10.188 1.00 0.00 N ATOM 920 CA TYR A 61 -3.782 4.849 -9.589 1.00 0.00 C ATOM 921 C TYR A 61 -3.405 3.867 -10.700 1.00 0.00 C ATOM 922 O TYR A 61 -4.117 3.713 -11.673 1.00 0.00 O ATOM 923 CB TYR A 61 -4.944 4.273 -8.776 1.00 0.00 C ATOM 924 CG TYR A 61 -6.035 3.817 -9.713 1.00 0.00 C ATOM 925 CD1 TYR A 61 -6.024 2.510 -10.216 1.00 0.00 C ATOM 926 CD2 TYR A 61 -7.058 4.699 -10.081 1.00 0.00 C ATOM 927 CE1 TYR A 61 -7.035 2.086 -11.088 1.00 0.00 C ATOM 928 CE2 TYR A 61 -8.069 4.276 -10.952 1.00 0.00 C ATOM 929 CZ TYR A 61 -8.057 2.969 -11.455 1.00 0.00 C ATOM 930 OH TYR A 61 -9.052 2.551 -12.315 1.00 0.00 O ATOM 0 H TYR A 61 -4.647 6.086 -11.101 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.921 5.008 -8.940 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.598 3.436 -8.169 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.331 5.026 -8.090 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.236 1.829 -9.931 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.067 5.707 -9.693 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.026 1.078 -11.477 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.858 4.957 -11.236 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.722 1.806 -12.860 1.00 0.00 H new ATOM 940 N TYR A 62 -2.294 3.194 -10.563 1.00 0.00 N ATOM 941 CA TYR A 62 -1.879 2.217 -11.610 1.00 0.00 C ATOM 942 C TYR A 62 -1.531 0.882 -10.947 1.00 0.00 C ATOM 943 O TYR A 62 -0.718 0.818 -10.047 1.00 0.00 O ATOM 944 CB TYR A 62 -0.657 2.747 -12.360 1.00 0.00 C ATOM 945 CG TYR A 62 -0.318 1.803 -13.491 1.00 0.00 C ATOM 946 CD1 TYR A 62 0.506 0.696 -13.255 1.00 0.00 C ATOM 947 CD2 TYR A 62 -0.827 2.036 -14.774 1.00 0.00 C ATOM 948 CE1 TYR A 62 0.818 -0.179 -14.301 1.00 0.00 C ATOM 949 CE2 TYR A 62 -0.514 1.160 -15.821 1.00 0.00 C ATOM 950 CZ TYR A 62 0.309 0.053 -15.584 1.00 0.00 C ATOM 951 OH TYR A 62 0.618 -0.812 -16.615 1.00 0.00 O ATOM 0 H TYR A 62 -1.656 3.279 -9.771 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.698 2.075 -12.315 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.860 3.744 -12.751 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.190 2.838 -11.680 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.901 0.518 -12.266 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.461 2.891 -14.956 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.452 -1.034 -14.118 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.908 1.339 -16.811 1.00 0.00 H new ATOM 0 HH TYR A 62 0.183 -0.507 -17.439 1.00 0.00 H new ATOM 961 N CYS A 63 -2.144 -0.183 -11.386 1.00 0.00 N ATOM 962 CA CYS A 63 -1.855 -1.513 -10.782 1.00 0.00 C ATOM 963 C CYS A 63 -0.741 -2.207 -11.563 1.00 0.00 C ATOM 964 O CYS A 63 -0.518 -1.936 -12.726 1.00 0.00 O ATOM 965 CB CYS A 63 -3.120 -2.370 -10.827 1.00 0.00 C ATOM 966 SG CYS A 63 -4.503 -1.441 -10.125 1.00 0.00 S ATOM 0 H CYS A 63 -2.833 -0.189 -12.138 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.536 -1.380 -9.748 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.343 -2.654 -11.855 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.967 -3.293 -10.268 1.00 0.00 H new ATOM 971 N CYS A 64 -0.036 -3.103 -10.929 1.00 0.00 N ATOM 972 CA CYS A 64 1.067 -3.819 -11.629 1.00 0.00 C ATOM 973 C CYS A 64 1.081 -5.284 -11.188 1.00 0.00 C ATOM 974 O CYS A 64 0.384 -5.674 -10.274 1.00 0.00 O ATOM 975 CB CYS A 64 2.403 -3.172 -11.261 1.00 0.00 C ATOM 976 SG CYS A 64 3.336 -2.794 -12.765 1.00 0.00 S ATOM 0 H CYS A 64 -0.177 -3.370 -9.955 1.00 0.00 H new ATOM 0 HA CYS A 64 0.913 -3.761 -12.707 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.231 -2.260 -10.690 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.979 -3.843 -10.624 1.00 0.00 H new ATOM 981 N LYS A 65 1.874 -6.097 -11.830 1.00 0.00 N ATOM 982 CA LYS A 65 1.937 -7.534 -11.443 1.00 0.00 C ATOM 983 C LYS A 65 3.380 -8.026 -11.560 1.00 0.00 C ATOM 984 O LYS A 65 3.635 -9.176 -11.856 1.00 0.00 O ATOM 985 CB LYS A 65 1.041 -8.355 -12.373 1.00 0.00 C ATOM 986 CG LYS A 65 1.528 -8.202 -13.815 1.00 0.00 C ATOM 987 CD LYS A 65 0.684 -7.144 -14.526 1.00 0.00 C ATOM 988 CE LYS A 65 -0.610 -7.781 -15.034 1.00 0.00 C ATOM 989 NZ LYS A 65 -1.774 -6.960 -14.595 1.00 0.00 N ATOM 0 H LYS A 65 2.480 -5.828 -12.605 1.00 0.00 H new ATOM 0 HA LYS A 65 1.593 -7.650 -10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.060 -9.405 -12.081 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.007 -8.020 -12.289 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.579 -7.913 -13.827 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.453 -9.155 -14.339 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.455 -6.326 -13.843 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.243 -6.717 -15.359 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.591 -7.851 -16.122 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.703 -8.797 -14.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.654 -7.393 -14.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.795 -6.915 -13.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.686 -5.999 -14.982 1.00 0.00 H new ATOM 1003 N LYS A 66 4.328 -7.159 -11.332 1.00 0.00 N ATOM 1004 CA LYS A 66 5.756 -7.572 -11.429 1.00 0.00 C ATOM 1005 C LYS A 66 6.398 -7.516 -10.042 1.00 0.00 C ATOM 1006 O LYS A 66 6.039 -6.703 -9.213 1.00 0.00 O ATOM 1007 CB LYS A 66 6.496 -6.622 -12.374 1.00 0.00 C ATOM 1008 CG LYS A 66 7.655 -7.364 -13.041 1.00 0.00 C ATOM 1009 CD LYS A 66 8.005 -6.681 -14.364 1.00 0.00 C ATOM 1010 CE LYS A 66 8.662 -5.328 -14.083 1.00 0.00 C ATOM 1011 NZ LYS A 66 10.145 -5.479 -14.122 1.00 0.00 N ATOM 0 H LYS A 66 4.175 -6.182 -11.083 1.00 0.00 H new ATOM 0 HA LYS A 66 5.816 -8.590 -11.815 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.812 -6.240 -13.131 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.872 -5.762 -11.820 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.523 -7.371 -12.382 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.381 -8.404 -13.218 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.680 -7.311 -14.943 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.105 -6.543 -14.963 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.341 -4.595 -14.823 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.349 -4.955 -13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.593 -4.560 -13.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.443 -6.166 -13.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.435 -5.817 -15.062 1.00 0.00 H new ATOM 1025 N ASP A 67 7.345 -8.374 -9.782 1.00 0.00 N ATOM 1026 CA ASP A 67 8.009 -8.368 -8.448 1.00 0.00 C ATOM 1027 C ASP A 67 8.427 -6.939 -8.094 1.00 0.00 C ATOM 1028 O ASP A 67 9.403 -6.423 -8.601 1.00 0.00 O ATOM 1029 CB ASP A 67 9.244 -9.270 -8.487 1.00 0.00 C ATOM 1030 CG ASP A 67 9.948 -9.110 -9.835 1.00 0.00 C ATOM 1031 OD1 ASP A 67 10.078 -7.983 -10.283 1.00 0.00 O ATOM 1032 OD2 ASP A 67 10.347 -10.117 -10.396 1.00 0.00 O ATOM 0 H ASP A 67 7.688 -9.079 -10.435 1.00 0.00 H new ATOM 0 HA ASP A 67 7.315 -8.740 -7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.924 -9.009 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.953 -10.310 -8.337 1.00 0.00 H new ATOM 1037 N LEU A 68 7.690 -6.296 -7.229 1.00 0.00 N ATOM 1038 CA LEU A 68 8.032 -4.903 -6.834 1.00 0.00 C ATOM 1039 C LEU A 68 7.931 -3.985 -8.053 1.00 0.00 C ATOM 1040 O LEU A 68 8.905 -3.402 -8.487 1.00 0.00 O ATOM 1041 CB LEU A 68 9.454 -4.861 -6.271 1.00 0.00 C ATOM 1042 CG LEU A 68 9.468 -5.499 -4.882 1.00 0.00 C ATOM 1043 CD1 LEU A 68 10.913 -5.742 -4.445 1.00 0.00 C ATOM 1044 CD2 LEU A 68 8.784 -4.561 -3.884 1.00 0.00 C ATOM 0 H LEU A 68 6.860 -6.680 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 68 7.334 -4.563 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.136 -5.393 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.804 -3.830 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 68 8.935 -6.449 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.922 -6.197 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.401 -6.410 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.448 -4.793 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.793 -5.015 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.318 -3.611 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.753 -4.388 -4.194 1.00 0.00 H new ATOM 1056 N CYS A 69 6.758 -3.853 -8.607 1.00 0.00 N ATOM 1057 CA CYS A 69 6.588 -2.972 -9.797 1.00 0.00 C ATOM 1058 C CYS A 69 6.505 -1.514 -9.344 1.00 0.00 C ATOM 1059 O CYS A 69 7.343 -0.699 -9.676 1.00 0.00 O ATOM 1060 CB CYS A 69 5.295 -3.344 -10.524 1.00 0.00 C ATOM 1061 SG CYS A 69 5.222 -2.479 -12.112 1.00 0.00 S ATOM 0 H CYS A 69 5.908 -4.318 -8.287 1.00 0.00 H new ATOM 0 HA CYS A 69 7.438 -3.101 -10.467 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.252 -4.422 -10.683 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.433 -3.077 -9.913 1.00 0.00 H new ATOM 1066 N ASN A 70 5.493 -1.178 -8.589 1.00 0.00 N ATOM 1067 CA ASN A 70 5.349 0.227 -8.114 1.00 0.00 C ATOM 1068 C ASN A 70 6.708 0.752 -7.649 1.00 0.00 C ATOM 1069 O ASN A 70 7.444 0.074 -6.960 1.00 0.00 O ATOM 1070 CB ASN A 70 4.360 0.273 -6.947 1.00 0.00 C ATOM 1071 CG ASN A 70 4.315 1.690 -6.369 1.00 0.00 C ATOM 1072 OD1 ASN A 70 4.959 2.586 -6.876 1.00 0.00 O ATOM 1073 ND2 ASN A 70 3.576 1.931 -5.321 1.00 0.00 N ATOM 0 H ASN A 70 4.760 -1.817 -8.281 1.00 0.00 H new ATOM 0 HA ASN A 70 4.979 0.848 -8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.368 -0.024 -7.286 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.659 -0.436 -6.175 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.539 2.872 -4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.035 1.179 -4.895 1.00 0.00 H new ATOM 1080 N PHE A 71 7.044 1.956 -8.018 1.00 0.00 N ATOM 1081 CA PHE A 71 8.353 2.526 -7.594 1.00 0.00 C ATOM 1082 C PHE A 71 8.496 3.953 -8.124 1.00 0.00 C ATOM 1083 O PHE A 71 9.581 4.411 -8.423 1.00 0.00 O ATOM 1084 CB PHE A 71 9.500 1.662 -8.130 1.00 0.00 C ATOM 1085 CG PHE A 71 9.293 1.332 -9.597 1.00 0.00 C ATOM 1086 CD1 PHE A 71 8.321 1.999 -10.361 1.00 0.00 C ATOM 1087 CD2 PHE A 71 10.091 0.347 -10.195 1.00 0.00 C ATOM 1088 CE1 PHE A 71 8.153 1.679 -11.715 1.00 0.00 C ATOM 1089 CE2 PHE A 71 9.920 0.029 -11.547 1.00 0.00 C ATOM 1090 CZ PHE A 71 8.952 0.694 -12.306 1.00 0.00 C ATOM 0 H PHE A 71 6.469 2.570 -8.595 1.00 0.00 H new ATOM 0 HA PHE A 71 8.394 2.541 -6.505 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.446 2.187 -8.002 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.566 0.740 -7.552 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.703 2.758 -9.905 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.840 -0.168 -9.611 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.407 2.193 -12.303 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.536 -0.731 -12.005 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.821 0.447 -13.349 1.00 0.00 H new ATOM 1100 N ASN A 72 7.408 4.659 -8.243 1.00 0.00 N ATOM 1101 CA ASN A 72 7.479 6.056 -8.754 1.00 0.00 C ATOM 1102 C ASN A 72 8.295 6.082 -10.048 1.00 0.00 C ATOM 1103 O ASN A 72 9.202 6.875 -10.207 1.00 0.00 O ATOM 1104 CB ASN A 72 8.151 6.948 -7.708 1.00 0.00 C ATOM 1105 CG ASN A 72 7.714 8.399 -7.916 1.00 0.00 C ATOM 1106 OD1 ASN A 72 8.174 9.059 -8.826 1.00 0.00 O ATOM 1107 ND2 ASN A 72 6.839 8.927 -7.105 1.00 0.00 N ATOM 0 H ASN A 72 6.472 4.329 -8.009 1.00 0.00 H new ATOM 0 HA ASN A 72 6.472 6.424 -8.951 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.882 6.616 -6.705 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.235 6.869 -7.790 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.541 9.894 -7.235 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.453 8.373 -6.341 1.00 0.00 H new ATOM 1114 N GLU A 73 7.979 5.218 -10.975 1.00 0.00 N ATOM 1115 CA GLU A 73 8.734 5.189 -12.260 1.00 0.00 C ATOM 1116 C GLU A 73 7.865 4.543 -13.340 1.00 0.00 C ATOM 1117 O GLU A 73 8.347 3.815 -14.187 1.00 0.00 O ATOM 1118 CB GLU A 73 10.014 4.371 -12.082 1.00 0.00 C ATOM 1119 CG GLU A 73 11.234 5.270 -12.295 1.00 0.00 C ATOM 1120 CD GLU A 73 12.483 4.567 -11.761 1.00 0.00 C ATOM 1121 OE1 GLU A 73 12.640 3.389 -12.037 1.00 0.00 O ATOM 1122 OE2 GLU A 73 13.262 5.218 -11.084 1.00 0.00 O ATOM 0 H GLU A 73 7.230 4.530 -10.897 1.00 0.00 H new ATOM 0 HA GLU A 73 8.992 6.206 -12.555 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.042 3.934 -11.084 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.031 3.544 -12.792 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.354 5.493 -13.355 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.092 6.222 -11.783 1.00 0.00 H new ATOM 1129 N GLN A 74 6.586 4.800 -13.315 1.00 0.00 N ATOM 1130 CA GLN A 74 5.683 4.200 -14.337 1.00 0.00 C ATOM 1131 C GLN A 74 4.889 5.312 -15.025 1.00 0.00 C ATOM 1132 O GLN A 74 4.910 5.445 -16.233 1.00 0.00 O ATOM 1133 CB GLN A 74 4.717 3.230 -13.653 1.00 0.00 C ATOM 1134 CG GLN A 74 4.451 2.037 -14.575 1.00 0.00 C ATOM 1135 CD GLN A 74 5.688 1.139 -14.617 1.00 0.00 C ATOM 1136 OE1 GLN A 74 6.722 1.530 -15.121 1.00 0.00 O ATOM 1137 NE2 GLN A 74 5.626 -0.061 -14.106 1.00 0.00 N ATOM 0 H GLN A 74 6.127 5.400 -12.630 1.00 0.00 H new ATOM 0 HA GLN A 74 6.274 3.662 -15.078 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.139 2.886 -12.709 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.781 3.737 -13.418 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.590 1.472 -14.217 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.208 2.386 -15.578 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.759 -0.391 -13.682 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.445 -0.669 -14.130 1.00 0.00 H new ATOM 1146 N LEU A 75 4.189 6.113 -14.269 1.00 0.00 N ATOM 1147 CA LEU A 75 3.397 7.214 -14.884 1.00 0.00 C ATOM 1148 C LEU A 75 4.332 8.372 -15.239 1.00 0.00 C ATOM 1149 O LEU A 75 4.366 8.833 -16.363 1.00 0.00 O ATOM 1150 CB LEU A 75 2.337 7.701 -13.893 1.00 0.00 C ATOM 1151 CG LEU A 75 1.269 6.621 -13.717 1.00 0.00 C ATOM 1152 CD1 LEU A 75 1.786 5.542 -12.765 1.00 0.00 C ATOM 1153 CD2 LEU A 75 0.002 7.251 -13.133 1.00 0.00 C ATOM 0 H LEU A 75 4.132 6.052 -13.252 1.00 0.00 H new ATOM 0 HA LEU A 75 2.907 6.848 -15.786 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.799 7.930 -12.933 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.881 8.623 -14.255 1.00 0.00 H new ATOM 0 HG LEU A 75 1.042 6.173 -14.684 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.025 4.772 -12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.690 5.095 -13.179 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.013 5.989 -11.797 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.761 6.483 -13.007 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.231 7.698 -12.166 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.367 8.021 -13.810 1.00 0.00 H new ATOM 1165 N GLU A 76 5.091 8.845 -14.289 1.00 0.00 N ATOM 1166 CA GLU A 76 6.024 9.971 -14.571 1.00 0.00 C ATOM 1167 C GLU A 76 6.810 9.670 -15.849 1.00 0.00 C ATOM 1168 O GLU A 76 6.877 8.543 -16.296 1.00 0.00 O ATOM 1169 CB GLU A 76 6.995 10.136 -13.400 1.00 0.00 C ATOM 1170 CG GLU A 76 6.339 10.983 -12.307 1.00 0.00 C ATOM 1171 CD GLU A 76 7.393 11.393 -11.277 1.00 0.00 C ATOM 1172 OE1 GLU A 76 8.567 11.329 -11.602 1.00 0.00 O ATOM 1173 OE2 GLU A 76 7.008 11.764 -10.180 1.00 0.00 O ATOM 0 H GLU A 76 5.105 8.500 -13.329 1.00 0.00 H new ATOM 0 HA GLU A 76 5.455 10.892 -14.701 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.270 9.159 -13.002 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.915 10.612 -13.741 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.880 11.869 -12.745 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.543 10.418 -11.823 1.00 0.00 H new ATOM 1180 N ASN A 77 7.404 10.669 -16.442 1.00 0.00 N ATOM 1181 CA ASN A 77 8.183 10.437 -17.691 1.00 0.00 C ATOM 1182 C ASN A 77 9.671 10.668 -17.415 1.00 0.00 C ATOM 1183 O ASN A 77 10.095 10.398 -16.304 1.00 0.00 O ATOM 1184 CB ASN A 77 7.707 11.408 -18.773 1.00 0.00 C ATOM 1185 CG ASN A 77 6.587 10.757 -19.586 1.00 0.00 C ATOM 1186 OD1 ASN A 77 5.488 11.271 -19.648 1.00 0.00 O ATOM 1187 ND2 ASN A 77 6.819 9.637 -20.215 1.00 0.00 N ATOM 1188 OXT ASN A 77 10.359 11.112 -18.319 1.00 0.00 O ATOM 0 H ASN A 77 7.384 11.635 -16.116 1.00 0.00 H new ATOM 0 HA ASN A 77 8.033 9.412 -18.030 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.350 12.331 -18.317 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.537 11.676 -19.427 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.078 9.194 -20.758 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.741 9.205 -20.163 1.00 0.00 H new TER 1195 ASN A 77 HETATM 1196 C1 NAG A 78 9.683 -12.771 -0.649 1.00 0.00 C HETATM 1197 C2 NAG A 78 10.888 -11.855 -0.474 1.00 0.00 C HETATM 1198 C3 NAG A 78 12.051 -12.421 -1.270 1.00 0.00 C HETATM 1199 C4 NAG A 78 12.344 -13.818 -0.755 1.00 0.00 C HETATM 1200 C5 NAG A 78 11.094 -14.679 -0.927 1.00 0.00 C HETATM 1201 C6 NAG A 78 11.278 -16.100 -0.429 1.00 0.00 C HETATM 1202 C7 NAG A 78 10.895 -9.484 -0.198 1.00 0.00 C HETATM 1203 C8 NAG A 78 10.535 -8.107 -0.730 1.00 0.00 C HETATM 1204 N2 NAG A 78 10.571 -10.515 -0.929 1.00 0.00 N HETATM 1205 O3 NAG A 78 13.194 -11.590 -1.125 1.00 0.00 O HETATM 1206 O4 NAG A 78 13.448 -14.392 -1.480 1.00 0.00 O HETATM 1207 O5 NAG A 78 9.991 -14.098 -0.193 1.00 0.00 O HETATM 1208 O6 NAG A 78 10.822 -16.209 0.932 1.00 0.00 O HETATM 1209 O7 NAG A 78 11.460 -9.623 0.869 1.00 0.00 O HETATM 0 HO3 NAG A 78 14.005 -12.136 -1.184 1.00 0.00 H new HETATM 0 HN2 NAG A 78 10.095 -10.379 -1.821 1.00 0.00 H new HETATM 0 H83 NAG A 78 11.028 -7.947 -1.689 1.00 0.00 H new HETATM 0 H82 NAG A 78 9.455 -8.039 -0.862 1.00 0.00 H new HETATM 0 H81 NAG A 78 10.863 -7.346 -0.022 1.00 0.00 H new HETATM 0 H62 NAG A 78 10.723 -16.791 -1.063 1.00 0.00 H new HETATM 0 H61 NAG A 78 12.329 -16.383 -0.493 1.00 0.00 H new HETATM 0 H5 NAG A 78 10.894 -14.711 -1.998 1.00 0.00 H new HETATM 0 H4 NAG A 78 12.614 -13.772 0.300 1.00 0.00 H new HETATM 0 H3 NAG A 78 11.797 -12.462 -2.329 1.00 0.00 H new HETATM 0 H2 NAG A 78 11.158 -11.800 0.581 1.00 0.00 H new HETATM 1222 C1 NAG A 79 13.211 -14.694 -2.810 1.00 0.00 C HETATM 1223 C2 NAG A 79 14.425 -14.322 -3.651 1.00 0.00 C HETATM 1224 C3 NAG A 79 14.147 -14.694 -5.096 1.00 0.00 C HETATM 1225 C4 NAG A 79 13.873 -16.186 -5.156 1.00 0.00 C HETATM 1226 C5 NAG A 79 12.670 -16.505 -4.271 1.00 0.00 C HETATM 1227 C6 NAG A 79 12.329 -17.983 -4.248 1.00 0.00 C HETATM 1228 C7 NAG A 79 15.927 -12.467 -3.627 1.00 0.00 C HETATM 1229 C8 NAG A 79 16.151 -10.968 -3.501 1.00 0.00 C HETATM 1230 N2 NAG A 79 14.699 -12.902 -3.539 1.00 0.00 N HETATM 1231 O3 NAG A 79 15.266 -14.365 -5.908 1.00 0.00 O HETATM 1232 O4 NAG A 79 13.608 -16.576 -6.496 1.00 0.00 O HETATM 1233 O5 NAG A 79 12.942 -16.102 -2.908 1.00 0.00 O HETATM 1234 O6 NAG A 79 12.067 -18.473 -5.554 1.00 0.00 O HETATM 1235 O7 NAG A 79 16.854 -13.233 -3.803 1.00 0.00 O HETATM 0 HO6 NAG A 79 11.852 -19.428 -5.508 1.00 0.00 H new HETATM 0 HO4 NAG A 79 12.882 -17.234 -6.508 1.00 0.00 H new HETATM 0 HO3 NAG A 79 15.345 -15.017 -6.636 1.00 0.00 H new HETATM 0 HN2 NAG A 79 13.933 -12.244 -3.392 1.00 0.00 H new HETATM 0 H83 NAG A 79 15.605 -10.451 -4.290 1.00 0.00 H new HETATM 0 H82 NAG A 79 15.794 -10.627 -2.529 1.00 0.00 H new HETATM 0 H81 NAG A 79 17.215 -10.750 -3.593 1.00 0.00 H new HETATM 0 H62 NAG A 79 13.154 -18.542 -3.807 1.00 0.00 H new HETATM 0 H61 NAG A 79 11.458 -18.147 -3.614 1.00 0.00 H new HETATM 0 H5 NAG A 79 11.827 -15.959 -4.695 1.00 0.00 H new HETATM 0 H4 NAG A 79 14.745 -16.735 -4.800 1.00 0.00 H new HETATM 0 H3 NAG A 79 13.284 -14.141 -5.468 1.00 0.00 H new HETATM 0 H2 NAG A 79 15.301 -14.864 -3.294 1.00 0.00 H new HETATM 1250 C1 FUC A 80 11.872 -16.526 1.800 1.00 0.00 C HETATM 1251 C2 FUC A 80 11.314 -16.736 3.202 1.00 0.00 C HETATM 1252 C3 FUC A 80 10.381 -17.935 3.187 1.00 0.00 C HETATM 1253 C4 FUC A 80 11.174 -19.146 2.725 1.00 0.00 C HETATM 1254 C5 FUC A 80 11.730 -18.869 1.331 1.00 0.00 C HETATM 1255 C6 FUC A 80 12.563 -20.011 0.782 1.00 0.00 C HETATM 1256 O2 FUC A 80 10.612 -15.576 3.623 1.00 0.00 O HETATM 1257 O3 FUC A 80 9.851 -18.156 4.486 1.00 0.00 O HETATM 1258 O4 FUC A 80 12.235 -19.406 3.633 1.00 0.00 O HETATM 1259 O5 FUC A 80 12.567 -17.694 1.371 1.00 0.00 O HETATM 0 HO4 FUC A 80 12.535 -20.333 3.529 1.00 0.00 H new HETATM 0 HO3 FUC A 80 10.440 -18.763 4.981 1.00 0.00 H new HETATM 0 HO2 FUC A 80 10.247 -15.112 2.840 1.00 0.00 H new HETATM 0 H63 FUC A 80 13.410 -20.194 1.443 1.00 0.00 H new HETATM 0 H62 FUC A 80 11.951 -20.910 0.719 1.00 0.00 H new HETATM 0 H61 FUC A 80 12.928 -19.750 -0.211 1.00 0.00 H new HETATM 0 H5 FUC A 80 10.868 -18.733 0.678 1.00 0.00 H new HETATM 0 H4 FUC A 80 10.525 -20.021 2.692 1.00 0.00 H new HETATM 0 H3 FUC A 80 9.547 -17.756 2.509 1.00 0.00 H new HETATM 0 H2 FUC A 80 12.131 -16.918 3.900 1.00 0.00 H new